USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.2 K(o=0.81,f=-4.1!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.393 K(o=0.81,f=-1.2) USER MOD Set 2.1: A 30 TYR OH : rot -57:sc= 0.701 USER MOD Set 2.2: A 71 SER OG : rot -65:sc= 1.1 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -70:sc= 1.28 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 13 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.62) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.811 (180deg=0.345) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0.0153 (180deg=-0.0776) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= -0.283 USER MOD Single : A 26 HIS : no HE2:sc= -0.128 X(o=-0.13,f=-0.44) USER MOD Single : A 27 HIS : no HD1:sc= -0.685 X(o=-0.69,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 93:sc= 1.59 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.17) USER MOD Single : A 55 THR OG1 : rot 111:sc= 0.326 USER MOD Single : A 57 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0741 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -124:sc= 1.32 USER MOD Single : A 80 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.835 -7.301 -11.101 1.00 0.00 N ATOM 66 CA LYS A 5 1.658 -8.194 -10.296 1.00 0.00 C ATOM 67 C LYS A 5 0.885 -8.763 -9.113 1.00 0.00 C ATOM 68 O LYS A 5 1.290 -8.607 -7.970 1.00 0.00 O ATOM 69 CB LYS A 5 2.983 -7.504 -9.944 1.00 0.00 C ATOM 70 CG LYS A 5 4.178 -8.460 -9.886 1.00 0.00 C ATOM 71 CD LYS A 5 5.464 -7.678 -9.576 1.00 0.00 C ATOM 72 CE LYS A 5 5.977 -6.843 -10.760 1.00 0.00 C ATOM 73 NZ LYS A 5 7.138 -6.014 -10.378 1.00 0.00 N ATOM 0 HA LYS A 5 1.926 -9.077 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.185 -6.728 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.879 -7.008 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.011 -9.218 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.281 -8.984 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.282 -7.018 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.241 -8.379 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.256 -7.505 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.176 -6.201 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.458 -5.464 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.864 -5.365 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.911 -6.628 -10.051 1.00 0.00 H new ATOM 87 N TYR A 6 -0.242 -9.417 -9.395 1.00 0.00 N ATOM 88 CA TYR A 6 -1.112 -10.002 -8.381 1.00 0.00 C ATOM 89 C TYR A 6 -0.325 -10.803 -7.327 1.00 0.00 C ATOM 90 O TYR A 6 0.453 -11.682 -7.690 1.00 0.00 O ATOM 91 CB TYR A 6 -2.219 -10.818 -9.062 1.00 0.00 C ATOM 92 CG TYR A 6 -3.438 -10.014 -9.503 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.355 -9.038 -10.517 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.684 -10.270 -8.904 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.513 -8.353 -10.932 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.847 -9.634 -9.362 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.761 -8.654 -10.358 1.00 0.00 C ATOM 98 OH TYR A 6 -6.889 -8.010 -10.758 1.00 0.00 O ATOM 0 H TYR A 6 -0.579 -9.556 -10.348 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.589 -9.198 -7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.797 -11.316 -9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.547 -11.599 -8.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.403 -8.816 -10.976 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.746 -10.966 -8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.442 -7.592 -11.695 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.808 -9.900 -8.947 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.861 -7.080 -10.450 1.00 0.00 H new ATOM 108 N TYR A 7 -0.510 -10.482 -6.035 1.00 0.00 N ATOM 109 CA TYR A 7 0.227 -11.083 -4.919 1.00 0.00 C ATOM 110 C TYR A 7 -0.740 -11.681 -3.898 1.00 0.00 C ATOM 111 O TYR A 7 -1.878 -11.232 -3.787 1.00 0.00 O ATOM 112 CB TYR A 7 1.109 -10.032 -4.233 1.00 0.00 C ATOM 113 CG TYR A 7 2.333 -9.606 -5.016 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.379 -10.525 -5.217 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.483 -8.274 -5.445 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.581 -10.110 -5.810 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.655 -7.883 -6.120 1.00 0.00 C ATOM 118 CZ TYR A 7 4.720 -8.786 -6.256 1.00 0.00 C ATOM 119 OH TYR A 7 5.932 -8.345 -6.696 1.00 0.00 O ATOM 0 H TYR A 7 -1.190 -9.783 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 7 0.859 -11.876 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.503 -9.149 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.433 -10.426 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.256 -11.554 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.701 -7.553 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.398 -10.808 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.734 -6.888 -6.533 1.00 0.00 H new ATOM 0 HH TYR A 7 6.431 -9.093 -7.085 1.00 0.00 H new ATOM 129 N THR A 8 -0.288 -12.694 -3.153 1.00 0.00 N ATOM 130 CA THR A 8 -1.078 -13.409 -2.160 1.00 0.00 C ATOM 131 C THR A 8 -0.983 -12.703 -0.804 1.00 0.00 C ATOM 132 O THR A 8 -0.026 -11.971 -0.549 1.00 0.00 O ATOM 133 CB THR A 8 -0.523 -14.839 -2.062 1.00 0.00 C ATOM 134 OG1 THR A 8 0.864 -14.766 -1.789 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.719 -15.616 -3.368 1.00 0.00 C ATOM 0 H THR A 8 0.666 -13.046 -3.230 1.00 0.00 H new ATOM 0 HA THR A 8 -2.128 -13.432 -2.451 1.00 0.00 H new ATOM 0 HB THR A 8 -1.061 -15.359 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.232 -15.672 -1.722 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.313 -16.622 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.782 -15.677 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.201 -15.103 -4.178 1.00 0.00 H new ATOM 143 N LEU A 9 -1.957 -12.943 0.083 1.00 0.00 N ATOM 144 CA LEU A 9 -2.014 -12.308 1.388 1.00 0.00 C ATOM 145 C LEU A 9 -0.690 -12.487 2.110 1.00 0.00 C ATOM 146 O LEU A 9 -0.038 -11.495 2.409 1.00 0.00 O ATOM 147 CB LEU A 9 -3.180 -12.845 2.232 1.00 0.00 C ATOM 148 CG LEU A 9 -4.589 -12.508 1.718 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.663 -11.097 1.125 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.086 -13.558 0.733 1.00 0.00 C ATOM 0 H LEU A 9 -2.727 -13.588 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.193 -11.243 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.087 -13.929 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.080 -12.455 3.245 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.257 -12.523 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.677 -10.902 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.397 -10.367 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.968 -11.017 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.085 -13.290 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.409 -13.606 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.120 -14.530 1.224 1.00 0.00 H new ATOM 162 N GLU A 10 -0.280 -13.740 2.334 1.00 0.00 N ATOM 163 CA GLU A 10 0.998 -14.078 2.946 1.00 0.00 C ATOM 164 C GLU A 10 2.126 -13.191 2.412 1.00 0.00 C ATOM 165 O GLU A 10 2.749 -12.466 3.180 1.00 0.00 O ATOM 166 CB GLU A 10 1.302 -15.577 2.742 1.00 0.00 C ATOM 167 CG GLU A 10 1.072 -16.383 4.030 1.00 0.00 C ATOM 168 CD GLU A 10 2.282 -16.262 4.954 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.738 -15.117 5.157 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.832 -17.291 5.398 1.00 0.00 O ATOM 0 H GLU A 10 -0.840 -14.557 2.089 1.00 0.00 H new ATOM 0 HA GLU A 10 0.931 -13.888 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.669 -15.972 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.335 -15.698 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.179 -16.020 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.896 -17.430 3.785 1.00 0.00 H new ATOM 177 N GLU A 11 2.362 -13.208 1.095 1.00 0.00 N ATOM 178 CA GLU A 11 3.420 -12.419 0.474 1.00 0.00 C ATOM 179 C GLU A 11 3.325 -10.956 0.922 1.00 0.00 C ATOM 180 O GLU A 11 4.262 -10.376 1.472 1.00 0.00 O ATOM 181 CB GLU A 11 3.317 -12.556 -1.055 1.00 0.00 C ATOM 182 CG GLU A 11 4.607 -12.133 -1.765 1.00 0.00 C ATOM 183 CD GLU A 11 5.688 -13.196 -1.618 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.631 -14.164 -2.406 1.00 0.00 O ATOM 185 OE2 GLU A 11 6.527 -13.037 -0.707 1.00 0.00 O ATOM 0 H GLU A 11 1.824 -13.769 0.435 1.00 0.00 H new ATOM 0 HA GLU A 11 4.396 -12.789 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.087 -13.590 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.489 -11.947 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.404 -11.960 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.962 -11.190 -1.350 1.00 0.00 H new ATOM 192 N ILE A 12 2.151 -10.355 0.748 1.00 0.00 N ATOM 193 CA ILE A 12 1.939 -8.957 1.097 1.00 0.00 C ATOM 194 C ILE A 12 2.164 -8.749 2.605 1.00 0.00 C ATOM 195 O ILE A 12 2.723 -7.736 3.025 1.00 0.00 O ATOM 196 CB ILE A 12 0.534 -8.529 0.645 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.290 -8.844 -0.846 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.311 -7.030 0.890 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.204 -8.981 -1.137 1.00 0.00 C ATOM 0 H ILE A 12 1.328 -10.820 0.365 1.00 0.00 H new ATOM 0 HA ILE A 12 2.660 -8.324 0.580 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.176 -9.103 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.714 -8.052 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.803 -9.767 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.691 -6.753 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.417 -6.815 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.049 -6.456 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.350 -9.203 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.619 -9.790 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.710 -8.048 -0.889 1.00 0.00 H new ATOM 211 N GLN A 13 1.769 -9.727 3.423 1.00 0.00 N ATOM 212 CA GLN A 13 1.949 -9.740 4.864 1.00 0.00 C ATOM 213 C GLN A 13 3.419 -9.975 5.247 1.00 0.00 C ATOM 214 O GLN A 13 3.767 -9.777 6.408 1.00 0.00 O ATOM 215 CB GLN A 13 1.046 -10.821 5.496 1.00 0.00 C ATOM 216 CG GLN A 13 0.035 -10.277 6.519 1.00 0.00 C ATOM 217 CD GLN A 13 -1.321 -9.903 5.912 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.883 -10.645 5.111 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.895 -8.777 6.321 1.00 0.00 N ATOM 0 H GLN A 13 1.296 -10.563 3.079 1.00 0.00 H new ATOM 0 HA GLN A 13 1.662 -8.762 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.503 -11.334 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.676 -11.565 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.120 -11.026 7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.460 -9.398 7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.414 -8.172 6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.817 -8.517 5.969 1.00 0.00 H new ATOM 228 N LYS A 14 4.282 -10.395 4.314 1.00 0.00 N ATOM 229 CA LYS A 14 5.713 -10.521 4.557 1.00 0.00 C ATOM 230 C LYS A 14 6.386 -9.166 4.325 1.00 0.00 C ATOM 231 O LYS A 14 7.274 -8.784 5.083 1.00 0.00 O ATOM 232 CB LYS A 14 6.327 -11.633 3.690 1.00 0.00 C ATOM 233 CG LYS A 14 5.901 -13.055 4.101 1.00 0.00 C ATOM 234 CD LYS A 14 6.495 -13.471 5.456 1.00 0.00 C ATOM 235 CE LYS A 14 6.444 -14.993 5.683 1.00 0.00 C ATOM 236 NZ LYS A 14 5.095 -15.482 6.049 1.00 0.00 N ATOM 0 H LYS A 14 4.001 -10.656 3.369 1.00 0.00 H new ATOM 0 HA LYS A 14 5.881 -10.813 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.045 -11.467 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.413 -11.561 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.813 -13.106 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.218 -13.763 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.530 -13.133 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.951 -12.970 6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.774 -15.501 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.147 -15.260 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.044 -16.509 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.911 -15.275 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.382 -15.006 5.460 1.00 0.00 H new ATOM 250 N HIS A 15 5.953 -8.407 3.312 1.00 0.00 N ATOM 251 CA HIS A 15 6.481 -7.069 3.047 1.00 0.00 C ATOM 252 C HIS A 15 6.002 -6.037 4.086 1.00 0.00 C ATOM 253 O HIS A 15 5.263 -5.098 3.768 1.00 0.00 O ATOM 254 CB HIS A 15 6.137 -6.645 1.617 1.00 0.00 C ATOM 255 CG HIS A 15 6.989 -7.309 0.566 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.164 -6.809 0.044 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.721 -8.490 -0.074 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.595 -7.680 -0.884 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.749 -8.716 -0.994 1.00 0.00 N ATOM 0 H HIS A 15 5.230 -8.704 2.657 1.00 0.00 H new ATOM 0 HA HIS A 15 7.566 -7.108 3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.090 -6.875 1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.247 -5.564 1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.869 -9.131 0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.499 -7.562 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.839 -9.512 -1.625 1.00 0.00 H new ATOM 267 N LYS A 16 6.475 -6.189 5.328 1.00 0.00 N ATOM 268 CA LYS A 16 6.226 -5.262 6.424 1.00 0.00 C ATOM 269 C LYS A 16 7.268 -5.411 7.547 1.00 0.00 C ATOM 270 O LYS A 16 6.914 -5.303 8.721 1.00 0.00 O ATOM 271 CB LYS A 16 4.788 -5.443 6.934 1.00 0.00 C ATOM 272 CG LYS A 16 4.461 -6.915 7.200 1.00 0.00 C ATOM 273 CD LYS A 16 3.255 -7.077 8.134 1.00 0.00 C ATOM 274 CE LYS A 16 3.556 -6.528 9.540 1.00 0.00 C ATOM 275 NZ LYS A 16 2.772 -5.314 9.869 1.00 0.00 N ATOM 0 H LYS A 16 7.056 -6.982 5.600 1.00 0.00 H new ATOM 0 HA LYS A 16 6.331 -4.242 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.652 -4.869 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.089 -5.042 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.257 -7.417 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.329 -7.405 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.395 -6.555 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.985 -8.131 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.345 -7.301 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.619 -6.298 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.078 -4.942 10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.926 -4.592 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.761 -5.554 9.911 1.00 0.00 H new ATOM 334 N SER A 20 10.907 -2.653 3.301 1.00 0.00 N ATOM 335 CA SER A 20 9.942 -3.435 2.544 1.00 0.00 C ATOM 336 C SER A 20 8.608 -3.201 3.244 1.00 0.00 C ATOM 337 O SER A 20 8.185 -4.035 4.040 1.00 0.00 O ATOM 338 CB SER A 20 10.312 -4.930 2.550 1.00 0.00 C ATOM 339 OG SER A 20 11.180 -5.232 1.476 1.00 0.00 O ATOM 0 HA SER A 20 9.911 -3.137 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.790 -5.188 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.408 -5.534 2.475 1.00 0.00 H new ATOM 0 HG SER A 20 11.406 -6.185 1.496 1.00 0.00 H new ATOM 345 N THR A 21 7.996 -2.034 3.022 1.00 0.00 N ATOM 346 CA THR A 21 6.705 -1.675 3.576 1.00 0.00 C ATOM 347 C THR A 21 5.729 -1.552 2.416 1.00 0.00 C ATOM 348 O THR A 21 5.800 -0.604 1.633 1.00 0.00 O ATOM 349 CB THR A 21 6.836 -0.376 4.375 1.00 0.00 C ATOM 350 OG1 THR A 21 7.433 -0.697 5.613 1.00 0.00 O ATOM 351 CG2 THR A 21 5.472 0.280 4.588 1.00 0.00 C ATOM 0 H THR A 21 8.401 -1.302 2.438 1.00 0.00 H new ATOM 0 HA THR A 21 6.334 -2.432 4.267 1.00 0.00 H new ATOM 0 HB THR A 21 7.450 0.340 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.276 -0.206 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.596 1.201 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.024 0.510 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.822 -0.402 5.136 1.00 0.00 H new ATOM 359 N TRP A 22 4.833 -2.529 2.307 1.00 0.00 N ATOM 360 CA TRP A 22 3.759 -2.528 1.330 1.00 0.00 C ATOM 361 C TRP A 22 2.441 -2.223 2.026 1.00 0.00 C ATOM 362 O TRP A 22 2.343 -2.350 3.245 1.00 0.00 O ATOM 363 CB TRP A 22 3.718 -3.890 0.669 1.00 0.00 C ATOM 364 CG TRP A 22 4.824 -4.178 -0.297 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.997 -3.521 -0.461 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.829 -5.239 -1.276 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.721 -4.112 -1.476 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.052 -5.196 -2.003 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.893 -6.225 -1.621 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.345 -6.123 -3.010 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.186 -7.183 -2.604 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.424 -7.148 -3.274 1.00 0.00 C ATOM 0 H TRP A 22 4.837 -3.354 2.906 1.00 0.00 H new ATOM 0 HA TRP A 22 3.927 -1.763 0.572 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.734 -4.652 1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.768 -3.990 0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.317 -2.665 0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.634 -3.788 -1.795 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.934 -6.247 -1.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.263 -6.051 -3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.462 -7.947 -2.846 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.666 -7.915 -3.995 1.00 0.00 H new ATOM 383 N VAL A 23 1.424 -1.838 1.255 1.00 0.00 N ATOM 384 CA VAL A 23 0.078 -1.567 1.741 1.00 0.00 C ATOM 385 C VAL A 23 -0.903 -1.870 0.608 1.00 0.00 C ATOM 386 O VAL A 23 -0.621 -1.548 -0.548 1.00 0.00 O ATOM 387 CB VAL A 23 -0.064 -0.112 2.234 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.529 0.103 3.631 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.532 0.931 1.279 1.00 0.00 C ATOM 0 H VAL A 23 1.520 -1.703 0.248 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.139 -2.202 2.600 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.143 0.041 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.400 1.145 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.018 -0.542 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.591 -0.141 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.392 1.928 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.597 0.738 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.031 0.868 0.313 1.00 0.00 H new ATOM 399 N ILE A 24 -2.029 -2.518 0.928 1.00 0.00 N ATOM 400 CA ILE A 24 -3.039 -2.890 -0.055 1.00 0.00 C ATOM 401 C ILE A 24 -4.263 -1.990 0.096 1.00 0.00 C ATOM 402 O ILE A 24 -5.111 -2.224 0.949 1.00 0.00 O ATOM 403 CB ILE A 24 -3.368 -4.388 0.012 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.869 -4.875 1.369 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.124 -5.191 -0.340 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.256 -5.503 1.258 1.00 0.00 C ATOM 0 H ILE A 24 -2.261 -2.798 1.881 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.642 -2.729 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.181 -4.537 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.169 -5.605 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.901 -4.039 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.353 -6.256 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.798 -4.933 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.329 -4.960 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.583 -5.839 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.960 -4.765 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.217 -6.354 0.578 1.00 0.00 H new ATOM 418 N LEU A 25 -4.358 -0.931 -0.703 1.00 0.00 N ATOM 419 CA LEU A 25 -5.423 0.042 -0.532 1.00 0.00 C ATOM 420 C LEU A 25 -6.511 -0.273 -1.557 1.00 0.00 C ATOM 421 O LEU A 25 -6.253 -0.190 -2.751 1.00 0.00 O ATOM 422 CB LEU A 25 -4.904 1.484 -0.626 1.00 0.00 C ATOM 423 CG LEU A 25 -3.547 1.694 0.063 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.054 3.104 -0.233 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.616 1.523 1.576 1.00 0.00 C ATOM 0 H LEU A 25 -3.714 -0.729 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.846 -0.032 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.816 1.762 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.637 2.155 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.869 0.935 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.091 3.262 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.943 3.232 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.775 3.829 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.627 1.683 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.315 2.248 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.955 0.515 1.813 1.00 0.00 H new ATOM 437 N HIS A 26 -7.714 -0.663 -1.128 1.00 0.00 N ATOM 438 CA HIS A 26 -8.827 -0.966 -2.026 1.00 0.00 C ATOM 439 C HIS A 26 -8.469 -2.128 -2.960 1.00 0.00 C ATOM 440 O HIS A 26 -8.557 -2.004 -4.182 1.00 0.00 O ATOM 441 CB HIS A 26 -9.259 0.278 -2.825 1.00 0.00 C ATOM 442 CG HIS A 26 -9.530 1.498 -1.986 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.771 1.947 -1.594 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.609 2.439 -1.613 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.595 3.134 -0.992 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.295 3.477 -0.986 1.00 0.00 N ATOM 0 H HIS A 26 -7.943 -0.778 -0.141 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.677 -1.272 -1.415 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.480 0.517 -3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.158 0.036 -3.392 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.660 1.467 -1.735 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.543 2.386 -1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.389 3.732 -0.570 1.00 0.00 H new ATOM 454 N HIS A 27 -8.050 -3.257 -2.376 1.00 0.00 N ATOM 455 CA HIS A 27 -7.684 -4.479 -3.095 1.00 0.00 C ATOM 456 C HIS A 27 -6.506 -4.286 -4.070 1.00 0.00 C ATOM 457 O HIS A 27 -6.235 -5.170 -4.883 1.00 0.00 O ATOM 458 CB HIS A 27 -8.927 -5.109 -3.765 1.00 0.00 C ATOM 459 CG HIS A 27 -9.713 -6.042 -2.874 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.023 -7.352 -3.166 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.190 -5.776 -1.617 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.665 -7.865 -2.102 1.00 0.00 C ATOM 463 NE2 HIS A 27 -10.791 -6.943 -1.134 1.00 0.00 N ATOM 0 H HIS A 27 -7.954 -3.346 -1.364 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.312 -5.189 -2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.586 -4.310 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.608 -5.657 -4.652 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.115 -4.834 -1.093 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.029 -8.879 -2.035 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.237 -7.069 -0.225 1.00 0.00 H new ATOM 471 N LYS A 28 -5.776 -3.167 -3.967 1.00 0.00 N ATOM 472 CA LYS A 28 -4.683 -2.799 -4.857 1.00 0.00 C ATOM 473 C LYS A 28 -3.400 -2.654 -4.051 1.00 0.00 C ATOM 474 O LYS A 28 -3.353 -1.868 -3.108 1.00 0.00 O ATOM 475 CB LYS A 28 -5.045 -1.503 -5.584 1.00 0.00 C ATOM 476 CG LYS A 28 -5.839 -1.847 -6.839 1.00 0.00 C ATOM 477 CD LYS A 28 -6.629 -0.642 -7.338 1.00 0.00 C ATOM 478 CE LYS A 28 -7.020 -0.924 -8.792 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.966 0.080 -9.299 1.00 0.00 N ATOM 0 H LYS A 28 -5.941 -2.475 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.521 -3.575 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.632 -0.856 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.141 -0.954 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.160 -2.189 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.521 -2.670 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.516 -0.484 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.029 0.266 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.126 -0.931 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.467 -1.916 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.210 -0.140 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.829 0.069 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.530 1.023 -9.253 1.00 0.00 H new ATOM 493 N VAL A 29 -2.382 -3.434 -4.416 1.00 0.00 N ATOM 494 CA VAL A 29 -1.106 -3.506 -3.733 1.00 0.00 C ATOM 495 C VAL A 29 -0.212 -2.381 -4.239 1.00 0.00 C ATOM 496 O VAL A 29 0.146 -2.336 -5.421 1.00 0.00 O ATOM 497 CB VAL A 29 -0.446 -4.889 -3.903 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.692 -5.025 -2.881 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.434 -6.056 -3.759 1.00 0.00 C ATOM 0 H VAL A 29 -2.433 -4.052 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.263 -3.378 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.059 -4.946 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.166 -6.000 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.430 -4.241 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.289 -4.931 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.904 -7.000 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.887 -6.029 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.213 -5.969 -4.517 1.00 0.00 H new ATOM 509 N TYR A 30 0.136 -1.478 -3.325 1.00 0.00 N ATOM 510 CA TYR A 30 1.010 -0.357 -3.580 1.00 0.00 C ATOM 511 C TYR A 30 2.309 -0.592 -2.816 1.00 0.00 C ATOM 512 O TYR A 30 2.270 -0.839 -1.607 1.00 0.00 O ATOM 513 CB TYR A 30 0.301 0.926 -3.141 1.00 0.00 C ATOM 514 CG TYR A 30 -0.982 1.197 -3.903 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.924 1.666 -5.225 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.234 0.935 -3.322 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.107 1.905 -5.943 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.413 1.246 -4.021 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.348 1.767 -5.319 1.00 0.00 C ATOM 520 OH TYR A 30 -4.467 2.251 -5.930 1.00 0.00 O ATOM 0 H TYR A 30 -0.197 -1.516 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 30 1.248 -0.256 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.076 0.862 -2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.978 1.770 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.034 1.844 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.291 0.494 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.056 2.197 -6.982 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.373 1.082 -3.555 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.354 3.208 -6.108 1.00 0.00 H new ATOM 530 N ASP A 31 3.447 -0.535 -3.517 1.00 0.00 N ATOM 531 CA ASP A 31 4.744 -0.520 -2.857 1.00 0.00 C ATOM 532 C ASP A 31 5.107 0.933 -2.619 1.00 0.00 C ATOM 533 O ASP A 31 5.126 1.726 -3.559 1.00 0.00 O ATOM 534 CB ASP A 31 5.845 -1.191 -3.684 1.00 0.00 C ATOM 535 CG ASP A 31 7.165 -1.250 -2.917 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.186 -0.837 -1.733 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.147 -1.741 -3.508 1.00 0.00 O ATOM 0 H ASP A 31 3.490 -0.499 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 31 4.670 -1.086 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.535 -2.200 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.988 -0.642 -4.615 1.00 0.00 H new ATOM 542 N LEU A 32 5.377 1.278 -1.363 1.00 0.00 N ATOM 543 CA LEU A 32 5.794 2.611 -0.981 1.00 0.00 C ATOM 544 C LEU A 32 7.158 2.563 -0.300 1.00 0.00 C ATOM 545 O LEU A 32 7.577 3.545 0.307 1.00 0.00 O ATOM 546 CB LEU A 32 4.732 3.222 -0.067 1.00 0.00 C ATOM 547 CG LEU A 32 3.302 3.126 -0.631 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.369 3.657 0.446 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.030 3.866 -1.953 1.00 0.00 C ATOM 0 H LEU A 32 5.310 0.629 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 32 5.894 3.238 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.766 2.721 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.975 4.270 0.108 1.00 0.00 H new ATOM 0 HG LEU A 32 3.140 2.078 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.339 3.609 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.471 3.052 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.627 4.691 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.989 3.721 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.225 4.930 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.682 3.471 -2.732 1.00 0.00 H new ATOM 561 N THR A 33 7.889 1.457 -0.445 1.00 0.00 N ATOM 562 CA THR A 33 9.219 1.277 0.115 1.00 0.00 C ATOM 563 C THR A 33 10.191 2.355 -0.385 1.00 0.00 C ATOM 564 O THR A 33 11.143 2.699 0.313 1.00 0.00 O ATOM 565 CB THR A 33 9.663 -0.158 -0.192 1.00 0.00 C ATOM 566 OG1 THR A 33 8.717 -1.037 0.396 1.00 0.00 O ATOM 567 CG2 THR A 33 11.055 -0.484 0.341 1.00 0.00 C ATOM 0 H THR A 33 7.560 0.645 -0.968 1.00 0.00 H new ATOM 0 HA THR A 33 9.209 1.408 1.197 1.00 0.00 H new ATOM 0 HB THR A 33 9.712 -0.273 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.029 -1.266 -0.263 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.309 -1.514 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.784 0.189 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.068 -0.360 1.424 1.00 0.00 H new ATOM 575 N LYS A 34 9.937 2.911 -1.574 1.00 0.00 N ATOM 576 CA LYS A 34 10.686 4.021 -2.155 1.00 0.00 C ATOM 577 C LYS A 34 9.879 5.324 -2.160 1.00 0.00 C ATOM 578 O LYS A 34 10.235 6.257 -2.872 1.00 0.00 O ATOM 579 CB LYS A 34 11.133 3.596 -3.561 1.00 0.00 C ATOM 580 CG LYS A 34 12.418 2.766 -3.440 1.00 0.00 C ATOM 581 CD LYS A 34 13.651 3.659 -3.670 1.00 0.00 C ATOM 582 CE LYS A 34 14.809 3.286 -2.734 1.00 0.00 C ATOM 583 NZ LYS A 34 16.099 3.826 -3.214 1.00 0.00 N ATOM 0 H LYS A 34 9.179 2.588 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 34 11.562 4.240 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.351 3.012 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.308 4.474 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.471 2.307 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.406 1.955 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.977 3.568 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.378 4.703 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.605 3.668 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.876 2.201 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.856 3.553 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.306 3.442 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.043 4.863 -3.266 1.00 0.00 H new ATOM 597 N PHE A 35 8.817 5.399 -1.353 1.00 0.00 N ATOM 598 CA PHE A 35 7.951 6.566 -1.235 1.00 0.00 C ATOM 599 C PHE A 35 7.804 7.027 0.220 1.00 0.00 C ATOM 600 O PHE A 35 7.232 8.079 0.464 1.00 0.00 O ATOM 601 CB PHE A 35 6.600 6.238 -1.877 1.00 0.00 C ATOM 602 CG PHE A 35 5.534 7.315 -1.818 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.753 8.579 -2.395 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.320 7.055 -1.162 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.749 9.562 -2.343 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.301 8.015 -1.150 1.00 0.00 C ATOM 607 CZ PHE A 35 3.518 9.275 -1.729 1.00 0.00 C ATOM 0 H PHE A 35 8.532 4.627 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 35 8.403 7.406 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.773 5.989 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.205 5.343 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.694 8.795 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.171 6.108 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.924 10.537 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.348 7.786 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.740 10.023 -1.703 1.00 0.00 H new ATOM 617 N LEU A 36 8.330 6.282 1.197 1.00 0.00 N ATOM 618 CA LEU A 36 8.182 6.579 2.615 1.00 0.00 C ATOM 619 C LEU A 36 8.512 8.044 2.936 1.00 0.00 C ATOM 620 O LEU A 36 7.674 8.763 3.471 1.00 0.00 O ATOM 621 CB LEU A 36 9.069 5.619 3.421 1.00 0.00 C ATOM 622 CG LEU A 36 8.580 4.161 3.494 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.507 3.339 4.399 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.137 4.042 4.006 1.00 0.00 C ATOM 0 H LEU A 36 8.879 5.442 1.016 1.00 0.00 H new ATOM 0 HA LEU A 36 7.139 6.433 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.069 5.626 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.160 6.004 4.437 1.00 0.00 H new ATOM 0 HG LEU A 36 8.601 3.773 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.152 2.309 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.519 3.357 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.509 3.766 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.847 2.992 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.070 4.466 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.468 4.584 3.338 1.00 0.00 H new ATOM 636 N GLU A 37 9.727 8.489 2.608 1.00 0.00 N ATOM 637 CA GLU A 37 10.136 9.873 2.833 1.00 0.00 C ATOM 638 C GLU A 37 9.401 10.833 1.892 1.00 0.00 C ATOM 639 O GLU A 37 8.973 11.905 2.313 1.00 0.00 O ATOM 640 CB GLU A 37 11.662 10.004 2.695 1.00 0.00 C ATOM 641 CG GLU A 37 12.325 10.150 4.069 1.00 0.00 C ATOM 642 CD GLU A 37 13.842 10.156 3.944 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.370 11.207 3.522 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.440 9.101 4.244 1.00 0.00 O ATOM 0 H GLU A 37 10.447 7.905 2.183 1.00 0.00 H new ATOM 0 HA GLU A 37 9.860 10.152 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.062 9.127 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.902 10.869 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.992 11.074 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.013 9.330 4.716 1.00 0.00 H new ATOM 651 N GLU A 38 9.271 10.461 0.615 1.00 0.00 N ATOM 652 CA GLU A 38 8.620 11.298 -0.389 1.00 0.00 C ATOM 653 C GLU A 38 7.179 11.641 0.006 1.00 0.00 C ATOM 654 O GLU A 38 6.712 12.737 -0.290 1.00 0.00 O ATOM 655 CB GLU A 38 8.639 10.585 -1.746 1.00 0.00 C ATOM 656 CG GLU A 38 9.922 10.822 -2.559 1.00 0.00 C ATOM 657 CD GLU A 38 9.639 11.661 -3.803 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.808 11.200 -4.614 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.247 12.747 -3.913 1.00 0.00 O ATOM 0 H GLU A 38 9.615 9.572 0.252 1.00 0.00 H new ATOM 0 HA GLU A 38 9.174 12.234 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.516 9.514 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.783 10.919 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.662 11.326 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.352 9.864 -2.853 1.00 0.00 H new ATOM 666 N HIS A 39 6.467 10.696 0.630 1.00 0.00 N ATOM 667 CA HIS A 39 5.072 10.826 1.019 1.00 0.00 C ATOM 668 C HIS A 39 4.844 12.139 1.769 1.00 0.00 C ATOM 669 O HIS A 39 5.285 12.256 2.915 1.00 0.00 O ATOM 670 CB HIS A 39 4.660 9.615 1.862 1.00 0.00 C ATOM 671 CG HIS A 39 3.241 9.650 2.380 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.880 9.528 3.697 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.085 9.674 1.646 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.543 9.480 3.754 1.00 0.00 C ATOM 675 NE2 HIS A 39 1.007 9.549 2.528 1.00 0.00 N ATOM 0 H HIS A 39 6.866 9.792 0.883 1.00 0.00 H new ATOM 0 HA HIS A 39 4.447 10.851 0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.790 8.713 1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.339 9.535 2.711 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.517 9.482 4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.018 9.772 0.573 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.972 9.397 4.667 1.00 0.00 H new ATOM 683 N PRO A 40 4.155 13.120 1.153 1.00 0.00 N ATOM 684 CA PRO A 40 3.936 14.427 1.743 1.00 0.00 C ATOM 685 C PRO A 40 2.935 14.280 2.891 1.00 0.00 C ATOM 686 O PRO A 40 1.743 14.532 2.744 1.00 0.00 O ATOM 687 CB PRO A 40 3.460 15.332 0.602 1.00 0.00 C ATOM 688 CG PRO A 40 2.853 14.373 -0.418 1.00 0.00 C ATOM 689 CD PRO A 40 3.545 13.035 -0.168 1.00 0.00 C ATOM 0 HA PRO A 40 4.828 14.873 2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.725 16.058 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.287 15.897 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.774 14.289 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.024 14.721 -1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.829 12.215 -0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.299 12.841 -0.931 1.00 0.00 H new ATOM 697 N GLY A 41 3.450 13.811 4.025 1.00 0.00 N ATOM 698 CA GLY A 41 2.681 13.372 5.171 1.00 0.00 C ATOM 699 C GLY A 41 3.589 12.616 6.140 1.00 0.00 C ATOM 700 O GLY A 41 3.512 12.838 7.346 1.00 0.00 O ATOM 0 H GLY A 41 4.456 13.726 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.233 14.231 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.862 12.729 4.847 1.00 0.00 H new ATOM 704 N GLY A 42 4.477 11.745 5.633 1.00 0.00 N ATOM 705 CA GLY A 42 5.432 11.054 6.490 1.00 0.00 C ATOM 706 C GLY A 42 5.728 9.620 6.104 1.00 0.00 C ATOM 707 O GLY A 42 4.980 8.994 5.360 1.00 0.00 O ATOM 0 H GLY A 42 4.547 11.510 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.367 11.614 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.054 11.067 7.512 1.00 0.00 H new ATOM 711 N GLU A 43 6.783 9.080 6.712 1.00 0.00 N ATOM 712 CA GLU A 43 7.141 7.682 6.588 1.00 0.00 C ATOM 713 C GLU A 43 6.345 6.857 7.610 1.00 0.00 C ATOM 714 O GLU A 43 5.678 5.887 7.248 1.00 0.00 O ATOM 715 CB GLU A 43 8.665 7.566 6.781 1.00 0.00 C ATOM 716 CG GLU A 43 9.185 6.133 6.982 1.00 0.00 C ATOM 717 CD GLU A 43 9.397 5.765 8.444 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.120 6.522 9.122 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.863 4.710 8.842 1.00 0.00 O ATOM 0 H GLU A 43 7.415 9.613 7.309 1.00 0.00 H new ATOM 0 HA GLU A 43 6.890 7.286 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.161 7.998 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.954 8.166 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.478 5.432 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.127 6.018 6.446 1.00 0.00 H new ATOM 726 N GLU A 44 6.395 7.249 8.889 1.00 0.00 N ATOM 727 CA GLU A 44 5.848 6.437 9.973 1.00 0.00 C ATOM 728 C GLU A 44 4.365 6.140 9.747 1.00 0.00 C ATOM 729 O GLU A 44 3.936 4.996 9.864 1.00 0.00 O ATOM 730 CB GLU A 44 6.092 7.095 11.338 1.00 0.00 C ATOM 731 CG GLU A 44 6.027 6.046 12.457 1.00 0.00 C ATOM 732 CD GLU A 44 6.192 6.689 13.827 1.00 0.00 C ATOM 733 OE1 GLU A 44 7.337 7.085 14.131 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.169 6.793 14.535 1.00 0.00 O ATOM 0 H GLU A 44 6.812 8.128 9.195 1.00 0.00 H new ATOM 0 HA GLU A 44 6.375 5.483 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.067 7.583 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.346 7.870 11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.073 5.521 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.808 5.301 12.306 1.00 0.00 H new ATOM 741 N VAL A 45 3.585 7.154 9.352 1.00 0.00 N ATOM 742 CA VAL A 45 2.180 6.979 9.026 1.00 0.00 C ATOM 743 C VAL A 45 1.985 5.841 8.018 1.00 0.00 C ATOM 744 O VAL A 45 1.007 5.106 8.101 1.00 0.00 O ATOM 745 CB VAL A 45 1.567 8.307 8.545 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.818 9.449 9.539 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.054 8.731 7.157 1.00 0.00 C ATOM 0 H VAL A 45 3.917 8.113 9.252 1.00 0.00 H new ATOM 0 HA VAL A 45 1.645 6.688 9.930 1.00 0.00 H new ATOM 0 HB VAL A 45 0.496 8.114 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.369 10.367 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.373 9.198 10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.891 9.595 9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.584 9.674 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.137 8.857 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.789 7.965 6.429 1.00 0.00 H new ATOM 757 N LEU A 46 2.926 5.661 7.086 1.00 0.00 N ATOM 758 CA LEU A 46 2.899 4.548 6.155 1.00 0.00 C ATOM 759 C LEU A 46 3.366 3.248 6.803 1.00 0.00 C ATOM 760 O LEU A 46 2.782 2.191 6.558 1.00 0.00 O ATOM 761 CB LEU A 46 3.658 4.899 4.868 1.00 0.00 C ATOM 762 CG LEU A 46 2.757 5.684 3.905 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.580 6.201 2.721 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.606 4.795 3.424 1.00 0.00 C ATOM 0 H LEU A 46 3.723 6.286 6.963 1.00 0.00 H new ATOM 0 HA LEU A 46 1.863 4.367 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.542 5.489 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.007 3.986 4.385 1.00 0.00 H new ATOM 0 HG LEU A 46 2.333 6.542 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.932 6.757 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.371 6.856 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.023 5.358 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.971 5.359 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.010 3.924 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.017 4.468 4.281 1.00 0.00 H new ATOM 776 N ARG A 47 4.399 3.310 7.642 1.00 0.00 N ATOM 777 CA ARG A 47 4.912 2.138 8.342 1.00 0.00 C ATOM 778 C ARG A 47 4.074 1.683 9.545 1.00 0.00 C ATOM 779 O ARG A 47 4.369 0.633 10.113 1.00 0.00 O ATOM 780 CB ARG A 47 6.399 2.331 8.683 1.00 0.00 C ATOM 781 CG ARG A 47 7.230 1.542 7.667 1.00 0.00 C ATOM 782 CD ARG A 47 8.708 1.442 8.032 1.00 0.00 C ATOM 783 NE ARG A 47 8.893 0.534 9.172 1.00 0.00 N ATOM 784 CZ ARG A 47 10.073 0.030 9.551 1.00 0.00 C ATOM 785 NH1 ARG A 47 11.195 0.524 9.017 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.125 -0.962 10.444 1.00 0.00 N ATOM 0 H ARG A 47 4.901 4.172 7.854 1.00 0.00 H new ATOM 0 HA ARG A 47 4.820 1.302 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.662 3.388 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.605 1.983 9.695 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.818 0.537 7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.137 2.014 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.277 1.081 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.096 2.430 8.279 1.00 0.00 H new ATOM 0 HE ARG A 47 8.067 0.270 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.145 1.276 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.101 0.149 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.263 -1.338 10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.027 -1.344 10.730 1.00 0.00 H new ATOM 800 N GLU A 48 3.028 2.424 9.912 1.00 0.00 N ATOM 801 CA GLU A 48 2.181 2.164 11.066 1.00 0.00 C ATOM 802 C GLU A 48 1.591 0.752 11.081 1.00 0.00 C ATOM 803 O GLU A 48 1.603 0.060 12.099 1.00 0.00 O ATOM 804 CB GLU A 48 1.080 3.235 11.098 1.00 0.00 C ATOM 805 CG GLU A 48 1.327 4.279 12.191 1.00 0.00 C ATOM 806 CD GLU A 48 0.920 3.732 13.554 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.780 3.098 14.199 1.00 0.00 O ATOM 808 OE2 GLU A 48 -0.267 3.921 13.898 1.00 0.00 O ATOM 0 H GLU A 48 2.740 3.252 9.391 1.00 0.00 H new ATOM 0 HA GLU A 48 2.794 2.219 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.028 3.730 10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.114 2.757 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.381 4.558 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.761 5.184 11.972 1.00 0.00 H new ATOM 815 N GLN A 49 1.022 0.330 9.954 1.00 0.00 N ATOM 816 CA GLN A 49 0.440 -0.991 9.812 1.00 0.00 C ATOM 817 C GLN A 49 1.329 -1.818 8.891 1.00 0.00 C ATOM 818 O GLN A 49 1.936 -2.812 9.310 1.00 0.00 O ATOM 819 CB GLN A 49 -0.993 -0.834 9.283 1.00 0.00 C ATOM 820 CG GLN A 49 -1.943 -0.240 10.337 1.00 0.00 C ATOM 821 CD GLN A 49 -2.232 -1.214 11.476 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.211 -1.949 11.429 1.00 0.00 O ATOM 823 NE2 GLN A 49 -1.388 -1.243 12.504 1.00 0.00 N ATOM 0 H GLN A 49 0.954 0.902 9.112 1.00 0.00 H new ATOM 0 HA GLN A 49 0.382 -1.518 10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.984 -0.192 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.369 -1.806 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.505 0.671 10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.880 0.043 9.858 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.580 -0.620 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.549 -1.888 13.278 1.00 0.00 H new ATOM 832 N ALA A 50 1.393 -1.382 7.631 1.00 0.00 N ATOM 833 CA ALA A 50 1.987 -2.115 6.522 1.00 0.00 C ATOM 834 C ALA A 50 1.390 -3.524 6.353 1.00 0.00 C ATOM 835 O ALA A 50 0.752 -4.058 7.257 1.00 0.00 O ATOM 836 CB ALA A 50 3.507 -2.148 6.680 1.00 0.00 C ATOM 0 H ALA A 50 1.018 -0.476 7.350 1.00 0.00 H new ATOM 0 HA ALA A 50 1.745 -1.586 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.947 -2.697 5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.894 -1.129 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.765 -2.641 7.617 1.00 0.00 H new ATOM 842 N GLY A 51 1.617 -4.135 5.188 1.00 0.00 N ATOM 843 CA GLY A 51 1.213 -5.493 4.845 1.00 0.00 C ATOM 844 C GLY A 51 -0.171 -5.846 5.387 1.00 0.00 C ATOM 845 O GLY A 51 -0.283 -6.650 6.313 1.00 0.00 O ATOM 0 H GLY A 51 2.111 -3.672 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.215 -5.606 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.945 -6.197 5.240 1.00 0.00 H new ATOM 849 N GLY A 52 -1.208 -5.224 4.821 1.00 0.00 N ATOM 850 CA GLY A 52 -2.593 -5.356 5.224 1.00 0.00 C ATOM 851 C GLY A 52 -3.362 -4.199 4.590 1.00 0.00 C ATOM 852 O GLY A 52 -2.754 -3.310 3.978 1.00 0.00 O ATOM 0 H GLY A 52 -1.090 -4.587 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.999 -6.313 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.682 -5.327 6.310 1.00 0.00 H new ATOM 856 N ASP A 53 -4.689 -4.237 4.705 1.00 0.00 N ATOM 857 CA ASP A 53 -5.616 -3.245 4.185 1.00 0.00 C ATOM 858 C ASP A 53 -5.508 -1.952 4.972 1.00 0.00 C ATOM 859 O ASP A 53 -6.343 -1.620 5.809 1.00 0.00 O ATOM 860 CB ASP A 53 -7.055 -3.791 4.129 1.00 0.00 C ATOM 861 CG ASP A 53 -7.529 -4.419 5.433 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.753 -5.247 5.966 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.670 -4.107 5.832 1.00 0.00 O ATOM 0 H ASP A 53 -5.165 -4.999 5.187 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.339 -3.018 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.731 -2.979 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.120 -4.534 3.335 1.00 0.00 H new ATOM 868 N ALA A 54 -4.506 -1.148 4.610 1.00 0.00 N ATOM 869 CA ALA A 54 -4.367 0.179 5.195 1.00 0.00 C ATOM 870 C ALA A 54 -5.468 1.132 4.705 1.00 0.00 C ATOM 871 O ALA A 54 -5.489 2.296 5.114 1.00 0.00 O ATOM 872 CB ALA A 54 -2.967 0.741 4.941 1.00 0.00 C ATOM 0 H ALA A 54 -3.791 -1.391 3.925 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.492 0.086 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.887 1.732 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.223 0.081 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.792 0.811 3.867 1.00 0.00 H new ATOM 878 N THR A 55 -6.378 0.656 3.838 1.00 0.00 N ATOM 879 CA THR A 55 -7.554 1.389 3.406 1.00 0.00 C ATOM 880 C THR A 55 -8.233 2.086 4.570 1.00 0.00 C ATOM 881 O THR A 55 -8.567 3.254 4.432 1.00 0.00 O ATOM 882 CB THR A 55 -8.551 0.473 2.682 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.892 -0.080 1.576 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.741 1.267 2.135 1.00 0.00 C ATOM 0 H THR A 55 -6.304 -0.270 3.416 1.00 0.00 H new ATOM 0 HA THR A 55 -7.214 2.150 2.703 1.00 0.00 H new ATOM 0 HB THR A 55 -8.908 -0.278 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.754 -1.039 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.428 0.590 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.258 1.760 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.384 2.017 1.429 1.00 0.00 H new ATOM 892 N GLU A 56 -8.416 1.389 5.697 1.00 0.00 N ATOM 893 CA GLU A 56 -9.036 1.957 6.886 1.00 0.00 C ATOM 894 C GLU A 56 -8.480 3.365 7.149 1.00 0.00 C ATOM 895 O GLU A 56 -9.229 4.335 7.204 1.00 0.00 O ATOM 896 CB GLU A 56 -8.808 0.996 8.068 1.00 0.00 C ATOM 897 CG GLU A 56 -9.673 1.332 9.295 1.00 0.00 C ATOM 898 CD GLU A 56 -10.689 0.234 9.599 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.247 -0.810 10.124 1.00 0.00 O ATOM 900 OE2 GLU A 56 -11.880 0.457 9.297 1.00 0.00 O ATOM 0 H GLU A 56 -8.136 0.414 5.804 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.111 2.069 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.024 -0.023 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.756 1.024 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.029 1.480 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.197 2.272 9.122 1.00 0.00 H new ATOM 907 N ASN A 57 -7.152 3.487 7.225 1.00 0.00 N ATOM 908 CA ASN A 57 -6.479 4.750 7.507 1.00 0.00 C ATOM 909 C ASN A 57 -6.504 5.670 6.277 1.00 0.00 C ATOM 910 O ASN A 57 -6.808 6.859 6.366 1.00 0.00 O ATOM 911 CB ASN A 57 -5.051 4.445 7.977 1.00 0.00 C ATOM 912 CG ASN A 57 -4.418 5.614 8.727 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.672 6.776 8.434 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.565 5.317 9.705 1.00 0.00 N ATOM 0 H ASN A 57 -6.512 2.704 7.091 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.001 5.287 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.065 3.568 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.434 4.195 7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.108 6.064 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.369 4.342 9.932 1.00 0.00 H new ATOM 921 N PHE A 58 -6.205 5.111 5.100 1.00 0.00 N ATOM 922 CA PHE A 58 -6.210 5.860 3.845 1.00 0.00 C ATOM 923 C PHE A 58 -7.521 6.637 3.647 1.00 0.00 C ATOM 924 O PHE A 58 -7.494 7.796 3.223 1.00 0.00 O ATOM 925 CB PHE A 58 -5.979 4.895 2.678 1.00 0.00 C ATOM 926 CG PHE A 58 -5.680 5.552 1.344 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.453 6.206 1.152 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.593 5.458 0.276 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.122 6.738 -0.106 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.257 5.980 -0.985 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.019 6.616 -1.179 1.00 0.00 C ATOM 0 H PHE A 58 -5.954 4.128 4.993 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.405 6.594 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.150 4.234 2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.864 4.268 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.760 6.301 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.552 4.984 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.177 7.241 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.952 5.892 -1.807 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.758 7.010 -2.150 1.00 0.00 H new ATOM 941 N GLU A 59 -8.639 5.970 3.960 1.00 0.00 N ATOM 942 CA GLU A 59 -10.016 6.427 3.835 1.00 0.00 C ATOM 943 C GLU A 59 -10.482 7.200 5.068 1.00 0.00 C ATOM 944 O GLU A 59 -11.309 8.097 4.918 1.00 0.00 O ATOM 945 CB GLU A 59 -10.945 5.232 3.583 1.00 0.00 C ATOM 946 CG GLU A 59 -10.813 4.707 2.147 1.00 0.00 C ATOM 947 CD GLU A 59 -11.393 5.679 1.123 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.629 5.640 0.948 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.591 6.409 0.500 1.00 0.00 O ATOM 0 H GLU A 59 -8.593 5.023 4.336 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.057 7.110 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.710 4.433 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.977 5.527 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.761 4.529 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.323 3.747 2.064 1.00 0.00 H new ATOM 956 N ASP A 60 -9.962 6.888 6.264 1.00 0.00 N ATOM 957 CA ASP A 60 -10.117 7.757 7.432 1.00 0.00 C ATOM 958 C ASP A 60 -9.830 9.197 7.001 1.00 0.00 C ATOM 959 O ASP A 60 -10.641 10.101 7.195 1.00 0.00 O ATOM 960 CB ASP A 60 -9.174 7.316 8.564 1.00 0.00 C ATOM 961 CG ASP A 60 -9.433 8.066 9.863 1.00 0.00 C ATOM 962 OD1 ASP A 60 -9.187 9.290 9.876 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.845 7.394 10.833 1.00 0.00 O ATOM 0 H ASP A 60 -9.429 6.037 6.445 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.134 7.689 7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.293 6.246 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.141 7.476 8.255 1.00 0.00 H new ATOM 968 N VAL A 61 -8.698 9.367 6.308 1.00 0.00 N ATOM 969 CA VAL A 61 -8.344 10.635 5.689 1.00 0.00 C ATOM 970 C VAL A 61 -9.132 10.887 4.399 1.00 0.00 C ATOM 971 O VAL A 61 -9.610 12.001 4.193 1.00 0.00 O ATOM 972 CB VAL A 61 -6.818 10.770 5.585 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.419 12.083 4.893 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.160 10.734 6.976 1.00 0.00 C ATOM 0 H VAL A 61 -8.009 8.629 6.165 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.658 11.457 6.332 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.469 9.925 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.332 12.148 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.838 12.106 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.803 12.927 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.080 10.832 6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.541 11.557 7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.393 9.788 7.464 1.00 0.00 H new ATOM 984 N GLY A 62 -9.283 9.888 3.526 1.00 0.00 N ATOM 985 CA GLY A 62 -10.011 10.067 2.277 1.00 0.00 C ATOM 986 C GLY A 62 -9.182 10.969 1.374 1.00 0.00 C ATOM 987 O GLY A 62 -9.549 12.107 1.088 1.00 0.00 O ATOM 0 H GLY A 62 -8.909 8.949 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.186 9.104 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.988 10.511 2.466 1.00 0.00 H new ATOM 991 N HIS A 63 -8.020 10.445 0.985 1.00 0.00 N ATOM 992 CA HIS A 63 -6.953 11.177 0.323 1.00 0.00 C ATOM 993 C HIS A 63 -7.400 12.048 -0.858 1.00 0.00 C ATOM 994 O HIS A 63 -8.349 11.736 -1.578 1.00 0.00 O ATOM 995 CB HIS A 63 -5.910 10.177 -0.167 1.00 0.00 C ATOM 996 CG HIS A 63 -4.866 9.820 0.850 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.063 9.208 2.067 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.524 10.025 0.690 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.845 9.061 2.622 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.870 9.521 1.808 1.00 0.00 N ATOM 0 H HIS A 63 -7.792 9.461 1.130 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.554 11.868 1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.418 9.266 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.416 10.588 -1.048 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.956 8.922 2.469 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.053 10.497 -0.159 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.670 8.629 3.596 1.00 0.00 H new ATOM 1008 N SER A 64 -6.630 13.113 -1.096 1.00 0.00 N ATOM 1009 CA SER A 64 -6.792 14.024 -2.212 1.00 0.00 C ATOM 1010 C SER A 64 -6.693 13.311 -3.561 1.00 0.00 C ATOM 1011 O SER A 64 -5.970 12.327 -3.723 1.00 0.00 O ATOM 1012 CB SER A 64 -5.696 15.086 -2.113 1.00 0.00 C ATOM 1013 OG SER A 64 -4.496 14.475 -1.667 1.00 0.00 O ATOM 0 H SER A 64 -5.850 13.366 -0.489 1.00 0.00 H new ATOM 0 HA SER A 64 -7.785 14.469 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.540 15.557 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.997 15.873 -1.422 1.00 0.00 H new ATOM 0 HG SER A 64 -3.789 15.151 -1.603 1.00 0.00 H new ATOM 1019 N THR A 65 -7.360 13.894 -4.554 1.00 0.00 N ATOM 1020 CA THR A 65 -7.351 13.435 -5.936 1.00 0.00 C ATOM 1021 C THR A 65 -5.923 13.265 -6.481 1.00 0.00 C ATOM 1022 O THR A 65 -5.642 12.291 -7.178 1.00 0.00 O ATOM 1023 CB THR A 65 -8.234 14.383 -6.759 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.567 14.230 -6.310 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.174 14.121 -8.265 1.00 0.00 C ATOM 0 H THR A 65 -7.938 14.723 -4.413 1.00 0.00 H new ATOM 0 HA THR A 65 -7.774 12.433 -6.007 1.00 0.00 H new ATOM 0 HB THR A 65 -7.864 15.397 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.154 14.827 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.822 14.828 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.149 14.244 -8.615 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.508 13.104 -8.471 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.004 14.161 -6.115 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.585 14.009 -6.424 1.00 0.00 C ATOM 1035 C ASP A 66 -3.069 12.624 -6.018 1.00 0.00 C ATOM 1036 O ASP A 66 -2.373 11.950 -6.772 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.787 15.114 -5.717 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.739 16.378 -6.561 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -3.807 17.019 -6.658 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -1.646 16.668 -7.091 1.00 0.00 O ATOM 0 H ASP A 66 -5.225 15.011 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.452 14.101 -7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.242 15.335 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.773 14.766 -5.520 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.419 12.162 -4.818 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.942 10.874 -4.347 1.00 0.00 C ATOM 1047 C ALA A 67 -3.629 9.728 -5.088 1.00 0.00 C ATOM 1048 O ALA A 67 -3.017 8.683 -5.284 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.174 10.748 -2.851 1.00 0.00 C ATOM 0 H ALA A 67 -4.025 12.658 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.873 10.812 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.813 9.779 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.636 11.541 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.240 10.834 -2.640 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.897 9.898 -5.481 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.609 8.894 -6.268 1.00 0.00 C ATOM 1057 C ARG A 68 -4.849 8.564 -7.552 1.00 0.00 C ATOM 1058 O ARG A 68 -4.698 7.390 -7.886 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.028 9.363 -6.622 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.077 9.018 -5.564 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.490 7.540 -5.639 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.816 7.337 -5.033 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.489 6.175 -5.028 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.892 5.063 -5.471 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.755 6.133 -4.600 1.00 0.00 N ATOM 0 H ARG A 68 -5.450 10.727 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.679 7.997 -5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.017 10.443 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.322 8.914 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.680 9.236 -4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.955 9.649 -5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.507 7.215 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.752 6.925 -5.124 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.257 8.139 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.931 5.101 -5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.398 4.177 -5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.212 6.985 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.263 5.249 -4.597 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.410 9.580 -8.303 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.660 9.299 -9.520 1.00 0.00 C ATOM 1081 C GLU A 69 -2.260 8.784 -9.160 1.00 0.00 C ATOM 1082 O GLU A 69 -1.782 7.811 -9.744 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.723 10.467 -10.513 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.794 11.633 -10.185 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.414 11.457 -10.810 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.368 11.440 -12.058 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -0.444 11.308 -10.038 1.00 0.00 O ATOM 0 H GLU A 69 -4.556 10.568 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.128 8.486 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.479 10.094 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.748 10.837 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.238 12.562 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.693 11.723 -9.103 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.637 9.367 -8.132 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.292 8.979 -7.738 1.00 0.00 C ATOM 1096 C LEU A 70 -0.241 7.511 -7.306 1.00 0.00 C ATOM 1097 O LEU A 70 0.724 6.811 -7.607 1.00 0.00 O ATOM 1098 CB LEU A 70 0.216 9.910 -6.634 1.00 0.00 C ATOM 1099 CG LEU A 70 1.747 9.925 -6.528 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.388 10.572 -7.764 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.144 10.706 -5.271 1.00 0.00 C ATOM 0 H LEU A 70 -2.047 10.107 -7.562 1.00 0.00 H new ATOM 0 HA LEU A 70 0.367 9.078 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.141 10.922 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.207 9.599 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 70 2.105 8.897 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.473 10.566 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.109 10.010 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.038 11.600 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.230 10.725 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.768 11.727 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.717 10.223 -4.392 1.00 0.00 H new ATOM 1113 N SER A 71 -1.279 7.021 -6.617 1.00 0.00 N ATOM 1114 CA SER A 71 -1.344 5.629 -6.195 1.00 0.00 C ATOM 1115 C SER A 71 -1.118 4.724 -7.401 1.00 0.00 C ATOM 1116 O SER A 71 -0.310 3.807 -7.330 1.00 0.00 O ATOM 1117 CB SER A 71 -2.645 5.313 -5.436 1.00 0.00 C ATOM 1118 OG SER A 71 -3.751 5.045 -6.281 1.00 0.00 O ATOM 0 H SER A 71 -2.088 7.578 -6.342 1.00 0.00 H new ATOM 0 HA SER A 71 -0.547 5.437 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.477 4.452 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.890 6.155 -4.789 1.00 0.00 H new ATOM 0 HG SER A 71 -3.977 5.851 -6.790 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.777 5.014 -8.528 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.589 4.275 -9.770 1.00 0.00 C ATOM 1126 C LYS A 72 -0.097 4.112 -10.090 1.00 0.00 C ATOM 1127 O LYS A 72 0.357 3.010 -10.380 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.326 4.965 -10.929 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.311 4.050 -11.672 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.712 4.094 -11.040 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.764 3.668 -12.078 1.00 0.00 C ATOM 1132 NZ LYS A 72 -7.135 4.041 -11.674 1.00 0.00 N ATOM 0 H LYS A 72 -2.457 5.771 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.015 3.280 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.868 5.827 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.591 5.345 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.373 4.354 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.938 3.026 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.752 3.432 -10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.928 5.100 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.532 4.130 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.711 2.589 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.808 3.733 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.369 3.580 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.195 5.073 -11.561 1.00 0.00 H new ATOM 1146 N THR A 73 0.686 5.189 -9.997 1.00 0.00 N ATOM 1147 CA THR A 73 2.121 5.150 -10.243 1.00 0.00 C ATOM 1148 C THR A 73 2.859 4.208 -9.274 1.00 0.00 C ATOM 1149 O THR A 73 3.921 3.694 -9.615 1.00 0.00 O ATOM 1150 CB THR A 73 2.651 6.596 -10.249 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.338 7.182 -11.496 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.153 6.710 -10.013 1.00 0.00 C ATOM 0 H THR A 73 0.337 6.114 -9.748 1.00 0.00 H new ATOM 0 HA THR A 73 2.320 4.714 -11.222 1.00 0.00 H new ATOM 0 HB THR A 73 2.170 7.112 -9.418 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.667 8.105 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.446 7.760 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.402 6.282 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.686 6.170 -10.796 1.00 0.00 H new ATOM 1160 N TYR A 74 2.301 3.948 -8.088 1.00 0.00 N ATOM 1161 CA TYR A 74 2.862 3.027 -7.104 1.00 0.00 C ATOM 1162 C TYR A 74 2.229 1.639 -7.183 1.00 0.00 C ATOM 1163 O TYR A 74 2.589 0.758 -6.401 1.00 0.00 O ATOM 1164 CB TYR A 74 2.676 3.617 -5.701 1.00 0.00 C ATOM 1165 CG TYR A 74 3.576 4.803 -5.426 1.00 0.00 C ATOM 1166 CD1 TYR A 74 4.971 4.626 -5.447 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.037 6.088 -5.231 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.818 5.744 -5.425 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.896 7.191 -5.084 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.278 7.029 -5.270 1.00 0.00 C ATOM 1171 OH TYR A 74 6.102 8.110 -5.336 1.00 0.00 O ATOM 0 H TYR A 74 1.430 4.382 -7.782 1.00 0.00 H new ATOM 0 HA TYR A 74 3.923 2.904 -7.322 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.637 3.922 -5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.871 2.842 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.390 3.631 -5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.967 6.226 -5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.885 5.615 -5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.494 8.160 -4.829 1.00 0.00 H new ATOM 0 HH TYR A 74 6.016 8.637 -4.514 1.00 0.00 H new ATOM 1181 N ILE A 75 1.260 1.437 -8.080 1.00 0.00 N ATOM 1182 CA ILE A 75 0.522 0.188 -8.163 1.00 0.00 C ATOM 1183 C ILE A 75 1.465 -0.899 -8.656 1.00 0.00 C ATOM 1184 O ILE A 75 1.959 -0.840 -9.779 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.758 0.375 -9.001 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.903 -0.471 -8.424 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.625 0.082 -10.505 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.248 0.002 -8.976 1.00 0.00 C ATOM 0 H ILE A 75 0.971 2.136 -8.764 1.00 0.00 H new ATOM 0 HA ILE A 75 0.163 -0.133 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.970 1.442 -8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.749 -1.521 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.904 -0.399 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.585 0.246 -10.994 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.122 0.746 -10.940 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.318 -0.954 -10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.048 -0.608 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.407 1.045 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.250 -0.094 -10.062 1.00 0.00 H new ATOM 1200 N ILE A 76 1.757 -1.874 -7.796 1.00 0.00 N ATOM 1201 CA ILE A 76 2.619 -2.977 -8.176 1.00 0.00 C ATOM 1202 C ILE A 76 1.764 -4.161 -8.612 1.00 0.00 C ATOM 1203 O ILE A 76 2.093 -4.811 -9.597 1.00 0.00 O ATOM 1204 CB ILE A 76 3.649 -3.292 -7.079 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.010 -3.544 -5.704 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.640 -2.117 -6.984 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.962 -4.270 -4.755 1.00 0.00 C ATOM 0 H ILE A 76 1.409 -1.917 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 76 3.226 -2.700 -9.038 1.00 0.00 H new ATOM 0 HB ILE A 76 4.157 -4.215 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.713 -2.593 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.102 -4.134 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.378 -2.325 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.145 -1.989 -7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.099 -1.204 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.469 -4.427 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.238 -5.233 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.859 -3.668 -4.608 1.00 0.00 H new ATOM 1219 N GLY A 77 0.650 -4.427 -7.927 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.215 -5.556 -8.221 1.00 0.00 C ATOM 1221 C GLY A 77 -1.517 -5.393 -7.445 1.00 0.00 C ATOM 1222 O GLY A 77 -1.771 -4.319 -6.905 1.00 0.00 O ATOM 0 H GLY A 77 0.326 -3.856 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.417 -5.608 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.275 -6.489 -7.944 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.330 -6.448 -7.386 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.601 -6.526 -6.671 1.00 0.00 C ATOM 1228 C GLU A 78 -3.643 -7.832 -5.859 1.00 0.00 C ATOM 1229 O GLU A 78 -2.707 -8.629 -5.922 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.734 -6.426 -7.704 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.881 -4.980 -8.203 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.605 -4.837 -9.533 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.536 -5.634 -9.771 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.238 -3.900 -10.273 1.00 0.00 O ATOM 0 H GLU A 78 -2.105 -7.320 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.719 -5.708 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.527 -7.088 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.671 -6.760 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.417 -4.403 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.888 -4.539 -8.296 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.693 -8.047 -5.062 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.809 -9.273 -4.270 1.00 0.00 C ATOM 1243 C LEU A 79 -5.078 -10.469 -5.190 1.00 0.00 C ATOM 1244 O LEU A 79 -5.954 -10.382 -6.051 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.918 -9.142 -3.215 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.672 -8.017 -2.197 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.916 -7.828 -1.324 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.465 -8.299 -1.295 1.00 0.00 C ATOM 0 H LEU A 79 -5.468 -7.394 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.867 -9.437 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.868 -8.963 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.014 -10.088 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.460 -7.111 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.737 -7.030 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.766 -7.565 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.132 -8.755 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.334 -7.475 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.632 -9.223 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.569 -8.400 -1.907 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.315 -11.557 -5.031 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.368 -12.775 -5.838 1.00 0.00 C ATOM 1262 C HIS A 80 -5.808 -13.238 -6.095 1.00 0.00 C ATOM 1263 O HIS A 80 -6.633 -13.241 -5.183 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.553 -13.876 -5.143 1.00 0.00 C ATOM 1265 CG HIS A 80 -2.957 -14.894 -6.071 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.363 -16.199 -6.207 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -1.878 -14.702 -6.891 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.559 -16.777 -7.113 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -1.638 -15.907 -7.556 1.00 0.00 N ATOM 0 H HIS A 80 -3.609 -11.611 -4.297 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.934 -12.559 -6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.750 -13.410 -4.573 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.196 -14.389 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.315 -13.787 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.642 -17.803 -7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.907 -16.090 -8.243 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.149 -13.665 -7.323 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.523 -14.004 -7.641 1.00 0.00 C ATOM 1279 C PRO A 81 -7.983 -15.232 -6.855 1.00 0.00 C ATOM 1280 O PRO A 81 -9.163 -15.338 -6.533 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.571 -14.206 -9.154 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.137 -14.577 -9.526 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.268 -13.926 -8.453 1.00 0.00 C ATOM 0 HA PRO A 81 -8.216 -13.214 -7.351 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.271 -14.995 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.894 -13.300 -9.667 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.001 -15.658 -9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.879 -14.209 -10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.448 -14.583 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.822 -13.002 -8.821 1.00 0.00 H new