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= 0.724 K(o=1.3,f=-3.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.527 K(o=1.3,f=-1.2!) USER MOD Set 2.1: A 15 HIS : no HE2:sc= 1.02 K(o=1.9,f=-5.7!) USER MOD Set 2.2: A 20 SER OG : rot 60:sc= 0.881 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc=-0.00391 (180deg=-1.14!) USER MOD Single : A 21 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.013) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 167:sc= 0 USER MOD Single : A 33 THR OG1 : rot 137:sc= 1.59 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.01 K(o=1,f=-0.17) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00985 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -63:sc= 2.08 USER MOD Single : A 72 LYS NZ :NH3+ 153:sc=-0.00695 (180deg=-0.259) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -116:sc= 1.19 USER MOD Single : A 80 HIS : no HD1:sc= -2.38 X(o=-2.4,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.771 -9.454 -11.655 1.00 0.00 N ATOM 66 CA LYS A 5 1.395 -9.038 -10.411 1.00 0.00 C ATOM 67 C LYS A 5 0.384 -9.305 -9.290 1.00 0.00 C ATOM 68 O LYS A 5 0.230 -8.537 -8.347 1.00 0.00 O ATOM 69 CB LYS A 5 1.842 -7.587 -10.557 1.00 0.00 C ATOM 70 CG LYS A 5 3.134 -7.371 -11.364 1.00 0.00 C ATOM 71 CD LYS A 5 4.387 -7.494 -10.474 1.00 0.00 C ATOM 72 CE LYS A 5 5.559 -6.639 -10.981 1.00 0.00 C ATOM 73 NZ LYS A 5 6.206 -7.216 -12.176 1.00 0.00 N ATOM 0 HA LYS A 5 2.298 -9.595 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.039 -7.024 -11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.981 -7.166 -9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.187 -8.103 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.113 -6.385 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.136 -7.193 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.696 -8.538 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.199 -5.637 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.298 -6.534 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.989 -6.602 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.575 -8.161 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.510 -7.292 -12.945 1.00 0.00 H new ATOM 87 N TYR A 6 -0.305 -10.442 -9.381 1.00 0.00 N ATOM 88 CA TYR A 6 -1.269 -10.858 -8.385 1.00 0.00 C ATOM 89 C TYR A 6 -0.524 -11.412 -7.166 1.00 0.00 C ATOM 90 O TYR A 6 0.229 -12.373 -7.303 1.00 0.00 O ATOM 91 CB TYR A 6 -2.233 -11.868 -9.011 1.00 0.00 C ATOM 92 CG TYR A 6 -3.280 -11.250 -9.923 1.00 0.00 C ATOM 93 CD1 TYR A 6 -2.965 -10.908 -11.250 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.562 -10.951 -9.429 1.00 0.00 C ATOM 95 CE1 TYR A 6 -3.965 -10.437 -12.118 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.572 -10.499 -10.294 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.276 -10.259 -11.645 1.00 0.00 C ATOM 98 OH TYR A 6 -6.256 -9.805 -12.478 1.00 0.00 O ATOM 0 H TYR A 6 -0.203 -11.098 -10.155 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.868 -10.016 -8.039 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.657 -12.598 -9.580 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.738 -12.413 -8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.950 -11.008 -11.604 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.772 -11.070 -8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.726 -10.212 -13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.573 -10.337 -9.921 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.101 -9.742 -11.985 1.00 0.00 H new ATOM 108 N TYR A 7 -0.718 -10.803 -5.990 1.00 0.00 N ATOM 109 CA TYR A 7 -0.045 -11.159 -4.743 1.00 0.00 C ATOM 110 C TYR A 7 -1.072 -11.534 -3.673 1.00 0.00 C ATOM 111 O TYR A 7 -2.167 -10.966 -3.630 1.00 0.00 O ATOM 112 CB TYR A 7 0.821 -9.987 -4.270 1.00 0.00 C ATOM 113 CG TYR A 7 2.036 -9.720 -5.137 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.080 -10.661 -5.165 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.160 -8.516 -5.854 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.236 -10.411 -5.922 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.330 -8.252 -6.586 1.00 0.00 C ATOM 118 CZ TYR A 7 4.365 -9.203 -6.625 1.00 0.00 C ATOM 119 OH TYR A 7 5.519 -8.930 -7.297 1.00 0.00 O ATOM 0 H TYR A 7 -1.369 -10.025 -5.881 1.00 0.00 H new ATOM 0 HA TYR A 7 0.596 -12.023 -4.918 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.207 -9.087 -4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.153 -10.184 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.993 -11.579 -4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.356 -7.795 -5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.025 -11.147 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.434 -7.318 -7.119 1.00 0.00 H new ATOM 0 HH TYR A 7 5.445 -8.055 -7.731 1.00 0.00 H new ATOM 129 N THR A 8 -0.735 -12.510 -2.827 1.00 0.00 N ATOM 130 CA THR A 8 -1.624 -13.069 -1.819 1.00 0.00 C ATOM 131 C THR A 8 -1.482 -12.306 -0.503 1.00 0.00 C ATOM 132 O THR A 8 -0.467 -11.651 -0.264 1.00 0.00 O ATOM 133 CB THR A 8 -1.248 -14.544 -1.603 1.00 0.00 C ATOM 134 OG1 THR A 8 0.105 -14.606 -1.206 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.427 -15.389 -2.868 1.00 0.00 C ATOM 0 H THR A 8 0.189 -12.941 -2.828 1.00 0.00 H new ATOM 0 HA THR A 8 -2.657 -12.986 -2.156 1.00 0.00 H new ATOM 0 HB THR A 8 -1.913 -14.949 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.361 -15.541 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.147 -16.421 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.469 -15.353 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.792 -14.995 -3.662 1.00 0.00 H new ATOM 143 N LEU A 9 -2.484 -12.419 0.375 1.00 0.00 N ATOM 144 CA LEU A 9 -2.498 -11.732 1.652 1.00 0.00 C ATOM 145 C LEU A 9 -1.225 -12.046 2.433 1.00 0.00 C ATOM 146 O LEU A 9 -0.476 -11.131 2.752 1.00 0.00 O ATOM 147 CB LEU A 9 -3.756 -12.100 2.450 1.00 0.00 C ATOM 148 CG LEU A 9 -5.101 -11.618 1.873 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.094 -10.129 1.515 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.579 -12.424 0.660 1.00 0.00 C ATOM 0 H LEU A 9 -3.309 -12.996 0.210 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.526 -10.657 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.795 -13.185 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.652 -11.695 3.457 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.808 -11.785 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.067 -9.847 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.886 -9.541 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.324 -9.938 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.531 -12.025 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.841 -12.352 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.705 -13.469 0.944 1.00 0.00 H new ATOM 162 N GLU A 10 -0.955 -13.326 2.710 1.00 0.00 N ATOM 163 CA GLU A 10 0.250 -13.741 3.419 1.00 0.00 C ATOM 164 C GLU A 10 1.522 -13.131 2.824 1.00 0.00 C ATOM 165 O GLU A 10 2.403 -12.710 3.571 1.00 0.00 O ATOM 166 CB GLU A 10 0.365 -15.270 3.435 1.00 0.00 C ATOM 167 CG GLU A 10 -0.411 -15.886 4.601 1.00 0.00 C ATOM 168 CD GLU A 10 -0.067 -17.361 4.729 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.107 -17.622 5.080 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.963 -18.184 4.449 1.00 0.00 O ATOM 0 H GLU A 10 -1.567 -14.099 2.448 1.00 0.00 H new ATOM 0 HA GLU A 10 0.156 -13.370 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.012 -15.673 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.415 -15.555 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.167 -15.365 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.482 -15.766 4.440 1.00 0.00 H new ATOM 177 N GLU A 11 1.639 -13.112 1.494 1.00 0.00 N ATOM 178 CA GLU A 11 2.817 -12.568 0.841 1.00 0.00 C ATOM 179 C GLU A 11 2.909 -11.070 1.134 1.00 0.00 C ATOM 180 O GLU A 11 3.923 -10.576 1.623 1.00 0.00 O ATOM 181 CB GLU A 11 2.765 -12.908 -0.653 1.00 0.00 C ATOM 182 CG GLU A 11 4.096 -12.648 -1.372 1.00 0.00 C ATOM 183 CD GLU A 11 4.349 -13.715 -2.429 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.638 -13.678 -3.456 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.220 -14.575 -2.171 1.00 0.00 O ATOM 0 H GLU A 11 0.929 -13.469 0.854 1.00 0.00 H new ATOM 0 HA GLU A 11 3.732 -13.015 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.492 -13.957 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.980 -12.318 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.078 -11.663 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.912 -12.643 -0.649 1.00 0.00 H new ATOM 192 N ILE A 12 1.819 -10.341 0.901 1.00 0.00 N ATOM 193 CA ILE A 12 1.780 -8.907 1.140 1.00 0.00 C ATOM 194 C ILE A 12 2.117 -8.603 2.609 1.00 0.00 C ATOM 195 O ILE A 12 2.978 -7.773 2.891 1.00 0.00 O ATOM 196 CB ILE A 12 0.427 -8.346 0.680 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.203 -8.635 -0.818 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.386 -6.834 0.930 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.280 -8.662 -1.190 1.00 0.00 C ATOM 0 H ILE A 12 0.946 -10.728 0.544 1.00 0.00 H new ATOM 0 HA ILE A 12 2.543 -8.399 0.550 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.366 -8.831 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.710 -7.875 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.656 -9.593 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.575 -6.437 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.517 -6.637 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.187 -6.351 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.384 -8.869 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.785 -9.441 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.730 -7.696 -0.963 1.00 0.00 H new ATOM 211 N GLN A 13 1.503 -9.330 3.548 1.00 0.00 N ATOM 212 CA GLN A 13 1.727 -9.213 4.985 1.00 0.00 C ATOM 213 C GLN A 13 3.177 -9.511 5.388 1.00 0.00 C ATOM 214 O GLN A 13 3.600 -9.117 6.475 1.00 0.00 O ATOM 215 CB GLN A 13 0.702 -10.087 5.737 1.00 0.00 C ATOM 216 CG GLN A 13 -0.180 -9.301 6.722 1.00 0.00 C ATOM 217 CD GLN A 13 0.533 -8.896 8.008 1.00 0.00 C ATOM 218 OE1 GLN A 13 1.312 -9.660 8.571 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.247 -7.702 8.518 1.00 0.00 N ATOM 0 H GLN A 13 0.811 -10.042 3.315 1.00 0.00 H new ATOM 0 HA GLN A 13 1.570 -8.174 5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.062 -10.587 5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.234 -10.866 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.550 -8.404 6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.050 -9.906 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.403 -7.083 8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.678 -7.405 9.394 1.00 0.00 H new ATOM 228 N LYS A 14 3.962 -10.166 4.524 1.00 0.00 N ATOM 229 CA LYS A 14 5.380 -10.379 4.771 1.00 0.00 C ATOM 230 C LYS A 14 6.141 -9.065 4.569 1.00 0.00 C ATOM 231 O LYS A 14 7.117 -8.801 5.268 1.00 0.00 O ATOM 232 CB LYS A 14 5.916 -11.500 3.859 1.00 0.00 C ATOM 233 CG LYS A 14 6.467 -12.715 4.616 1.00 0.00 C ATOM 234 CD LYS A 14 5.336 -13.476 5.329 1.00 0.00 C ATOM 235 CE LYS A 14 5.727 -14.921 5.686 1.00 0.00 C ATOM 236 NZ LYS A 14 4.568 -15.842 5.609 1.00 0.00 N ATOM 0 H LYS A 14 3.629 -10.558 3.643 1.00 0.00 H new ATOM 0 HA LYS A 14 5.530 -10.699 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.114 -11.830 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.704 -11.092 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.977 -13.381 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.208 -12.389 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.062 -12.943 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.453 -13.490 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.509 -15.264 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.144 -14.946 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.873 -16.805 5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.832 -15.530 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.185 -15.838 4.642 1.00 0.00 H new ATOM 250 N HIS A 15 5.708 -8.225 3.623 1.00 0.00 N ATOM 251 CA HIS A 15 6.398 -6.992 3.271 1.00 0.00 C ATOM 252 C HIS A 15 6.065 -5.878 4.272 1.00 0.00 C ATOM 253 O HIS A 15 5.451 -4.864 3.922 1.00 0.00 O ATOM 254 CB HIS A 15 6.042 -6.627 1.829 1.00 0.00 C ATOM 255 CG HIS A 15 6.688 -7.531 0.809 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.006 -7.489 0.412 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.070 -8.518 0.088 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.174 -8.431 -0.530 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.025 -9.084 -0.762 1.00 0.00 N ATOM 0 H HIS A 15 4.861 -8.389 3.079 1.00 0.00 H new ATOM 0 HA HIS A 15 7.478 -7.130 3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.960 -6.668 1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.345 -5.598 1.636 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.723 -6.858 0.768 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.032 -8.807 0.163 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.108 -8.635 -1.033 1.00 0.00 H new ATOM 267 N LYS A 16 6.501 -6.084 5.521 1.00 0.00 N ATOM 268 CA LYS A 16 6.350 -5.167 6.631 1.00 0.00 C ATOM 269 C LYS A 16 7.429 -5.455 7.676 1.00 0.00 C ATOM 270 O LYS A 16 7.120 -6.041 8.720 1.00 0.00 O ATOM 271 CB LYS A 16 4.957 -5.341 7.240 1.00 0.00 C ATOM 272 CG LYS A 16 4.707 -4.301 8.338 1.00 0.00 C ATOM 273 CD LYS A 16 3.744 -4.736 9.449 1.00 0.00 C ATOM 274 CE LYS A 16 4.409 -5.625 10.511 1.00 0.00 C ATOM 275 NZ LYS A 16 4.692 -6.992 10.029 1.00 0.00 N ATOM 0 H LYS A 16 6.990 -6.939 5.786 1.00 0.00 H new ATOM 0 HA LYS A 16 6.460 -4.139 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.200 -5.243 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.860 -6.344 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.663 -4.039 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.315 -3.396 7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.332 -3.850 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.907 -5.275 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.341 -5.160 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.761 -5.682 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.731 -7.644 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.940 -7.293 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.605 -7.003 9.532 1.00 0.00 H new ATOM 334 N SER A 20 10.808 -2.301 3.087 1.00 0.00 N ATOM 335 CA SER A 20 9.813 -3.122 2.419 1.00 0.00 C ATOM 336 C SER A 20 8.471 -2.803 3.079 1.00 0.00 C ATOM 337 O SER A 20 8.120 -3.447 4.066 1.00 0.00 O ATOM 338 CB SER A 20 10.166 -4.617 2.527 1.00 0.00 C ATOM 339 OG SER A 20 9.307 -5.379 1.696 1.00 0.00 O ATOM 0 HA SER A 20 9.772 -2.903 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.204 -4.776 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.072 -4.948 3.561 1.00 0.00 H new ATOM 0 HG SER A 20 9.410 -5.089 0.766 1.00 0.00 H new ATOM 345 N THR A 21 7.752 -1.801 2.566 1.00 0.00 N ATOM 346 CA THR A 21 6.459 -1.380 3.081 1.00 0.00 C ATOM 347 C THR A 21 5.431 -1.508 1.960 1.00 0.00 C ATOM 348 O THR A 21 5.414 -0.691 1.038 1.00 0.00 O ATOM 349 CB THR A 21 6.576 0.051 3.631 1.00 0.00 C ATOM 350 OG1 THR A 21 7.131 -0.018 4.929 1.00 0.00 O ATOM 351 CG2 THR A 21 5.223 0.759 3.702 1.00 0.00 C ATOM 0 H THR A 21 8.064 -1.253 1.765 1.00 0.00 H new ATOM 0 HA THR A 21 6.129 -2.010 3.907 1.00 0.00 H new ATOM 0 HB THR A 21 7.209 0.626 2.955 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.771 0.714 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.359 1.766 4.097 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.790 0.816 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.554 0.200 4.356 1.00 0.00 H new ATOM 359 N TRP A 22 4.587 -2.542 2.033 1.00 0.00 N ATOM 360 CA TRP A 22 3.493 -2.743 1.085 1.00 0.00 C ATOM 361 C TRP A 22 2.154 -2.345 1.692 1.00 0.00 C ATOM 362 O TRP A 22 2.005 -2.315 2.910 1.00 0.00 O ATOM 363 CB TRP A 22 3.456 -4.196 0.638 1.00 0.00 C ATOM 364 CG TRP A 22 4.531 -4.603 -0.317 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.700 -3.968 -0.550 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.503 -5.719 -1.242 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.385 -4.604 -1.558 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.699 -5.712 -2.014 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.546 -6.704 -1.533 1.00 0.00 C ATOM 370 CZ2 TRP A 22 5.933 -6.663 -3.018 1.00 0.00 C ATOM 371 CZ3 TRP A 22 3.790 -7.695 -2.501 1.00 0.00 C ATOM 372 CH2 TRP A 22 4.989 -7.682 -3.235 1.00 0.00 C ATOM 0 H TRP A 22 4.645 -3.262 2.753 1.00 0.00 H new ATOM 0 HA TRP A 22 3.671 -2.104 0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.519 -4.831 1.521 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.489 -4.391 0.174 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.045 -3.091 -0.023 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.286 -4.296 -1.923 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.605 -6.701 -1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 6.829 -6.613 -3.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.056 -8.466 -2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.185 -8.454 -3.965 1.00 0.00 H new ATOM 383 N VAL A 23 1.170 -2.061 0.840 1.00 0.00 N ATOM 384 CA VAL A 23 -0.166 -1.638 1.234 1.00 0.00 C ATOM 385 C VAL A 23 -1.170 -2.068 0.147 1.00 0.00 C ATOM 386 O VAL A 23 -0.851 -2.014 -1.040 1.00 0.00 O ATOM 387 CB VAL A 23 -0.189 -0.124 1.504 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.356 0.273 2.881 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.640 0.654 0.495 1.00 0.00 C ATOM 0 H VAL A 23 1.287 -2.122 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.459 -2.121 2.166 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.248 0.123 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.306 1.356 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.242 -0.201 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.392 -0.053 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.592 1.718 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.676 0.319 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.247 0.484 -0.507 1.00 0.00 H new ATOM 399 N ILE A 24 -2.365 -2.532 0.544 1.00 0.00 N ATOM 400 CA ILE A 24 -3.354 -3.156 -0.344 1.00 0.00 C ATOM 401 C ILE A 24 -4.556 -2.238 -0.564 1.00 0.00 C ATOM 402 O ILE A 24 -5.695 -2.574 -0.244 1.00 0.00 O ATOM 403 CB ILE A 24 -3.804 -4.521 0.201 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.342 -4.461 1.634 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.657 -5.520 0.139 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.596 -5.325 1.795 1.00 0.00 C ATOM 0 H ILE A 24 -2.676 -2.482 1.514 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.874 -3.319 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.627 -4.842 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.573 -4.800 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.574 -3.428 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.991 -6.482 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.334 -5.639 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.824 -5.155 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.953 -5.261 2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.373 -4.969 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.356 -6.362 1.558 1.00 0.00 H new ATOM 418 N LEU A 25 -4.281 -1.042 -1.066 1.00 0.00 N ATOM 419 CA LEU A 25 -5.252 0.032 -1.104 1.00 0.00 C ATOM 420 C LEU A 25 -6.301 -0.249 -2.175 1.00 0.00 C ATOM 421 O LEU A 25 -6.037 -0.106 -3.364 1.00 0.00 O ATOM 422 CB LEU A 25 -4.516 1.358 -1.301 1.00 0.00 C ATOM 423 CG LEU A 25 -3.478 1.557 -0.184 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.633 2.784 -0.459 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.147 1.744 1.178 1.00 0.00 C ATOM 0 H LEU A 25 -3.373 -0.793 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.795 0.101 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.022 1.368 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.229 2.183 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.858 0.660 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.904 2.910 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.112 2.662 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.274 3.664 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.383 1.882 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.793 2.621 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.743 0.862 1.415 1.00 0.00 H new ATOM 437 N HIS A 26 -7.503 -0.636 -1.747 1.00 0.00 N ATOM 438 CA HIS A 26 -8.579 -1.055 -2.637 1.00 0.00 C ATOM 439 C HIS A 26 -8.156 -2.346 -3.359 1.00 0.00 C ATOM 440 O HIS A 26 -7.229 -3.030 -2.926 1.00 0.00 O ATOM 441 CB HIS A 26 -8.971 0.078 -3.609 1.00 0.00 C ATOM 442 CG HIS A 26 -9.059 1.459 -2.994 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.197 2.057 -2.497 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.058 2.396 -2.957 1.00 0.00 C ATOM 445 CE1 HIS A 26 -9.883 3.327 -2.182 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.596 3.586 -2.464 1.00 0.00 N ATOM 0 H HIS A 26 -7.757 -0.667 -0.760 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.477 -1.271 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.244 0.106 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.936 -0.165 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.032 2.240 -3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.573 4.042 -1.759 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.109 4.474 -2.342 1.00 0.00 H new ATOM 454 N HIS A 27 -8.803 -2.700 -4.472 1.00 0.00 N ATOM 455 CA HIS A 27 -8.422 -3.882 -5.242 1.00 0.00 C ATOM 456 C HIS A 27 -7.176 -3.609 -6.097 1.00 0.00 C ATOM 457 O HIS A 27 -7.219 -3.775 -7.316 1.00 0.00 O ATOM 458 CB HIS A 27 -9.606 -4.374 -6.087 1.00 0.00 C ATOM 459 CG HIS A 27 -10.702 -5.025 -5.281 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.550 -6.091 -4.420 1.00 0.00 N ATOM 461 CD2 HIS A 27 -12.044 -4.775 -5.395 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.777 -6.464 -4.017 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.717 -5.689 -4.581 1.00 0.00 N ATOM 0 H HIS A 27 -9.593 -2.184 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.158 -4.680 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.024 -3.530 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.241 -5.086 -6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.500 -4.009 -6.005 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.979 -7.276 -3.334 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.725 -5.755 -4.442 1.00 0.00 H new ATOM 471 N LYS A 28 -6.064 -3.238 -5.452 1.00 0.00 N ATOM 472 CA LYS A 28 -4.727 -3.228 -6.024 1.00 0.00 C ATOM 473 C LYS A 28 -3.690 -3.147 -4.901 1.00 0.00 C ATOM 474 O LYS A 28 -4.031 -2.770 -3.781 1.00 0.00 O ATOM 475 CB LYS A 28 -4.561 -2.128 -7.089 1.00 0.00 C ATOM 476 CG LYS A 28 -4.707 -2.692 -8.516 1.00 0.00 C ATOM 477 CD LYS A 28 -5.719 -1.906 -9.363 1.00 0.00 C ATOM 478 CE LYS A 28 -5.898 -2.591 -10.728 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.289 -3.039 -10.934 1.00 0.00 N ATOM 0 H LYS A 28 -6.079 -2.926 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.562 -4.163 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.306 -1.349 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.582 -1.661 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.735 -2.676 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.019 -3.735 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.676 -1.851 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.373 -0.882 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.617 -1.899 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.226 -3.446 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.372 -3.496 -11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.549 -3.718 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.927 -2.219 -10.893 1.00 0.00 H new ATOM 493 N VAL A 29 -2.448 -3.553 -5.191 1.00 0.00 N ATOM 494 CA VAL A 29 -1.355 -3.593 -4.228 1.00 0.00 C ATOM 495 C VAL A 29 -0.271 -2.610 -4.653 1.00 0.00 C ATOM 496 O VAL A 29 0.102 -2.530 -5.830 1.00 0.00 O ATOM 497 CB VAL A 29 -0.770 -5.005 -4.061 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.171 -5.042 -2.844 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.878 -6.042 -3.852 1.00 0.00 C ATOM 0 H VAL A 29 -2.175 -3.868 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.755 -3.305 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.222 -5.247 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.582 -6.045 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.984 -4.331 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.386 -4.775 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.434 -7.031 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.445 -5.793 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.544 -6.042 -4.715 1.00 0.00 H new ATOM 509 N TYR A 30 0.225 -1.872 -3.664 1.00 0.00 N ATOM 510 CA TYR A 30 1.179 -0.795 -3.832 1.00 0.00 C ATOM 511 C TYR A 30 2.364 -1.038 -2.894 1.00 0.00 C ATOM 512 O TYR A 30 2.161 -1.442 -1.747 1.00 0.00 O ATOM 513 CB TYR A 30 0.455 0.523 -3.538 1.00 0.00 C ATOM 514 CG TYR A 30 -0.772 0.752 -4.398 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.021 0.215 -4.034 1.00 0.00 C ATOM 516 CD2 TYR A 30 -0.641 1.434 -5.614 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.128 0.380 -4.883 1.00 0.00 C ATOM 518 CE2 TYR A 30 -1.761 1.644 -6.433 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.013 1.145 -6.052 1.00 0.00 C ATOM 520 OH TYR A 30 -4.104 1.378 -6.834 1.00 0.00 O ATOM 0 H TYR A 30 -0.040 -2.018 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 30 1.573 -0.749 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.160 0.538 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.150 1.349 -3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.128 -0.323 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.327 1.800 -5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.071 -0.084 -4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.657 2.191 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.901 2.091 -7.475 1.00 0.00 H new ATOM 530 N ASP A 31 3.586 -0.803 -3.386 1.00 0.00 N ATOM 531 CA ASP A 31 4.803 -0.767 -2.576 1.00 0.00 C ATOM 532 C ASP A 31 5.168 0.698 -2.404 1.00 0.00 C ATOM 533 O ASP A 31 5.168 1.437 -3.385 1.00 0.00 O ATOM 534 CB ASP A 31 5.959 -1.509 -3.259 1.00 0.00 C ATOM 535 CG ASP A 31 7.279 -1.299 -2.529 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.798 -0.167 -2.596 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.763 -2.248 -1.870 1.00 0.00 O ATOM 0 H ASP A 31 3.757 -0.630 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 31 4.629 -1.259 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.732 -2.574 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.054 -1.163 -4.288 1.00 0.00 H new ATOM 542 N LEU A 32 5.458 1.115 -1.173 1.00 0.00 N ATOM 543 CA LEU A 32 5.803 2.495 -0.865 1.00 0.00 C ATOM 544 C LEU A 32 7.209 2.580 -0.271 1.00 0.00 C ATOM 545 O LEU A 32 7.541 3.543 0.417 1.00 0.00 O ATOM 546 CB LEU A 32 4.720 3.071 0.057 1.00 0.00 C ATOM 547 CG LEU A 32 3.307 2.948 -0.546 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.300 3.542 0.436 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.120 3.649 -1.893 1.00 0.00 C ATOM 0 H LEU A 32 5.459 0.499 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 32 5.830 3.098 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.749 2.552 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.937 4.121 0.256 1.00 0.00 H new ATOM 0 HG LEU A 32 3.152 1.884 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.296 3.461 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.348 2.998 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.537 4.592 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.096 3.507 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.321 4.714 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.810 3.225 -2.623 1.00 0.00 H new ATOM 561 N THR A 33 8.062 1.605 -0.583 1.00 0.00 N ATOM 562 CA THR A 33 9.393 1.444 -0.022 1.00 0.00 C ATOM 563 C THR A 33 10.334 2.594 -0.403 1.00 0.00 C ATOM 564 O THR A 33 11.290 2.859 0.324 1.00 0.00 O ATOM 565 CB THR A 33 9.907 0.063 -0.450 1.00 0.00 C ATOM 566 OG1 THR A 33 9.031 -0.912 0.095 1.00 0.00 O ATOM 567 CG2 THR A 33 11.334 -0.214 0.014 1.00 0.00 C ATOM 0 H THR A 33 7.831 0.879 -1.261 1.00 0.00 H new ATOM 0 HA THR A 33 9.354 1.491 1.066 1.00 0.00 H new ATOM 0 HB THR A 33 9.926 0.027 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.838 -1.594 -0.582 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.639 -1.206 -0.320 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.005 0.534 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.378 -0.168 1.102 1.00 0.00 H new ATOM 575 N LYS A 34 10.070 3.283 -1.519 1.00 0.00 N ATOM 576 CA LYS A 34 10.740 4.522 -1.892 1.00 0.00 C ATOM 577 C LYS A 34 9.747 5.688 -1.952 1.00 0.00 C ATOM 578 O LYS A 34 9.956 6.633 -2.709 1.00 0.00 O ATOM 579 CB LYS A 34 11.424 4.321 -3.246 1.00 0.00 C ATOM 580 CG LYS A 34 12.647 3.403 -3.149 1.00 0.00 C ATOM 581 CD LYS A 34 13.617 3.686 -4.307 1.00 0.00 C ATOM 582 CE LYS A 34 14.476 4.934 -4.021 1.00 0.00 C ATOM 583 NZ LYS A 34 15.274 5.347 -5.192 1.00 0.00 N ATOM 0 H LYS A 34 9.370 2.984 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 34 11.486 4.772 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.710 3.898 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.730 5.289 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.152 3.558 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.331 2.360 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.265 2.823 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.054 3.832 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.828 5.756 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.143 4.729 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.834 6.189 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.913 4.574 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.638 5.569 -5.984 1.00 0.00 H new ATOM 597 N PHE A 35 8.659 5.619 -1.181 1.00 0.00 N ATOM 598 CA PHE A 35 7.697 6.708 -1.068 1.00 0.00 C ATOM 599 C PHE A 35 7.592 7.207 0.377 1.00 0.00 C ATOM 600 O PHE A 35 6.903 8.183 0.644 1.00 0.00 O ATOM 601 CB PHE A 35 6.351 6.252 -1.640 1.00 0.00 C ATOM 602 CG PHE A 35 5.234 7.280 -1.592 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.381 8.519 -2.239 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.096 7.044 -0.797 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.415 9.525 -2.062 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.089 8.015 -0.692 1.00 0.00 C ATOM 607 CZ PHE A 35 3.278 9.277 -1.275 1.00 0.00 C ATOM 0 H PHE A 35 8.423 4.802 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 35 8.038 7.562 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.500 5.953 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.027 5.365 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.237 8.698 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.998 6.109 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.547 10.489 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.173 7.792 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.549 10.058 -1.119 1.00 0.00 H new ATOM 617 N LEU A 36 8.280 6.570 1.324 1.00 0.00 N ATOM 618 CA LEU A 36 8.203 6.922 2.732 1.00 0.00 C ATOM 619 C LEU A 36 8.617 8.376 2.972 1.00 0.00 C ATOM 620 O LEU A 36 7.867 9.149 3.564 1.00 0.00 O ATOM 621 CB LEU A 36 9.086 5.962 3.537 1.00 0.00 C ATOM 622 CG LEU A 36 8.639 4.493 3.483 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.514 3.639 4.405 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.164 4.315 3.866 1.00 0.00 C ATOM 0 H LEU A 36 8.909 5.791 1.129 1.00 0.00 H new ATOM 0 HA LEU A 36 7.168 6.828 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.109 6.032 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.100 6.287 4.577 1.00 0.00 H new ATOM 0 HG LEU A 36 8.754 4.164 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.187 2.600 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.554 3.707 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.425 4.001 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.899 3.259 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.006 4.677 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.538 4.882 3.177 1.00 0.00 H new ATOM 636 N GLU A 37 9.815 8.742 2.520 1.00 0.00 N ATOM 637 CA GLU A 37 10.374 10.066 2.670 1.00 0.00 C ATOM 638 C GLU A 37 9.598 11.089 1.829 1.00 0.00 C ATOM 639 O GLU A 37 9.380 12.217 2.266 1.00 0.00 O ATOM 640 CB GLU A 37 11.877 10.005 2.347 1.00 0.00 C ATOM 641 CG GLU A 37 12.290 9.377 0.998 1.00 0.00 C ATOM 642 CD GLU A 37 12.449 7.857 1.027 1.00 0.00 C ATOM 643 OE1 GLU A 37 11.396 7.180 1.001 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.610 7.398 1.075 1.00 0.00 O ATOM 0 H GLU A 37 10.435 8.100 2.026 1.00 0.00 H new ATOM 0 HA GLU A 37 10.273 10.412 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.270 11.021 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.370 9.447 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.544 9.637 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.232 9.822 0.678 1.00 0.00 H new ATOM 651 N GLU A 38 9.175 10.685 0.628 1.00 0.00 N ATOM 652 CA GLU A 38 8.374 11.496 -0.282 1.00 0.00 C ATOM 653 C GLU A 38 7.005 11.837 0.315 1.00 0.00 C ATOM 654 O GLU A 38 6.526 12.958 0.157 1.00 0.00 O ATOM 655 CB GLU A 38 8.190 10.732 -1.599 1.00 0.00 C ATOM 656 CG GLU A 38 9.313 10.988 -2.613 1.00 0.00 C ATOM 657 CD GLU A 38 8.845 11.938 -3.710 1.00 0.00 C ATOM 658 OE1 GLU A 38 7.962 11.504 -4.484 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.365 13.074 -3.750 1.00 0.00 O ATOM 0 H GLU A 38 9.388 9.760 0.255 1.00 0.00 H new ATOM 0 HA GLU A 38 8.899 12.435 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.138 9.664 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.236 11.015 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.179 11.411 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.632 10.044 -3.055 1.00 0.00 H new ATOM 666 N HIS A 39 6.338 10.856 0.928 1.00 0.00 N ATOM 667 CA HIS A 39 4.959 10.980 1.373 1.00 0.00 C ATOM 668 C HIS A 39 4.800 12.212 2.264 1.00 0.00 C ATOM 669 O HIS A 39 5.355 12.233 3.362 1.00 0.00 O ATOM 670 CB HIS A 39 4.528 9.709 2.114 1.00 0.00 C ATOM 671 CG HIS A 39 3.143 9.745 2.722 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.858 9.427 4.027 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.943 9.877 2.071 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.526 9.368 4.155 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.916 9.636 2.990 1.00 0.00 N ATOM 0 H HIS A 39 6.750 9.945 1.129 1.00 0.00 H new ATOM 0 HA HIS A 39 4.314 11.104 0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.579 8.870 1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.249 9.510 2.907 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.540 9.264 4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.813 10.125 1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.010 9.135 5.075 1.00 0.00 H new ATOM 683 N PRO A 40 4.017 13.222 1.846 1.00 0.00 N ATOM 684 CA PRO A 40 3.846 14.445 2.616 1.00 0.00 C ATOM 685 C PRO A 40 3.267 14.158 4.005 1.00 0.00 C ATOM 686 O PRO A 40 3.475 14.939 4.927 1.00 0.00 O ATOM 687 CB PRO A 40 2.931 15.351 1.781 1.00 0.00 C ATOM 688 CG PRO A 40 2.199 14.373 0.873 1.00 0.00 C ATOM 689 CD PRO A 40 3.210 13.259 0.637 1.00 0.00 C ATOM 0 HA PRO A 40 4.803 14.933 2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.239 15.911 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.503 16.081 1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.291 13.995 1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.900 14.845 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.713 12.304 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.823 13.462 -0.241 1.00 0.00 H new ATOM 697 N GLY A 41 2.555 13.037 4.168 1.00 0.00 N ATOM 698 CA GLY A 41 2.049 12.620 5.463 1.00 0.00 C ATOM 699 C GLY A 41 3.147 12.189 6.440 1.00 0.00 C ATOM 700 O GLY A 41 2.926 12.231 7.647 1.00 0.00 O ATOM 0 H GLY A 41 2.319 12.402 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.483 13.441 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.354 11.792 5.323 1.00 0.00 H new ATOM 704 N GLY A 42 4.310 11.744 5.945 1.00 0.00 N ATOM 705 CA GLY A 42 5.388 11.206 6.766 1.00 0.00 C ATOM 706 C GLY A 42 5.658 9.742 6.488 1.00 0.00 C ATOM 707 O GLY A 42 4.814 9.020 5.961 1.00 0.00 O ATOM 0 H GLY A 42 4.525 11.750 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.297 11.780 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.135 11.331 7.819 1.00 0.00 H new ATOM 711 N GLU A 43 6.838 9.296 6.914 1.00 0.00 N ATOM 712 CA GLU A 43 7.237 7.913 6.795 1.00 0.00 C ATOM 713 C GLU A 43 6.458 7.062 7.798 1.00 0.00 C ATOM 714 O GLU A 43 5.790 6.096 7.426 1.00 0.00 O ATOM 715 CB GLU A 43 8.765 7.831 6.957 1.00 0.00 C ATOM 716 CG GLU A 43 9.297 6.407 7.180 1.00 0.00 C ATOM 717 CD GLU A 43 9.410 6.039 8.652 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.029 6.823 9.399 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.882 4.964 9.006 1.00 0.00 O ATOM 0 H GLU A 43 7.540 9.893 7.351 1.00 0.00 H new ATOM 0 HA GLU A 43 6.996 7.508 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.237 8.248 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.064 8.455 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.637 5.696 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.277 6.313 6.711 1.00 0.00 H new ATOM 726 N GLU A 44 6.535 7.442 9.073 1.00 0.00 N ATOM 727 CA GLU A 44 6.076 6.606 10.175 1.00 0.00 C ATOM 728 C GLU A 44 4.599 6.249 10.002 1.00 0.00 C ATOM 729 O GLU A 44 4.231 5.075 10.031 1.00 0.00 O ATOM 730 CB GLU A 44 6.374 7.296 11.511 1.00 0.00 C ATOM 731 CG GLU A 44 6.262 6.312 12.685 1.00 0.00 C ATOM 732 CD GLU A 44 6.509 6.984 14.031 1.00 0.00 C ATOM 733 OE1 GLU A 44 7.148 8.059 14.028 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.064 6.403 15.042 1.00 0.00 O ATOM 0 H GLU A 44 6.918 8.340 9.368 1.00 0.00 H new ATOM 0 HA GLU A 44 6.621 5.662 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.376 7.723 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.679 8.122 11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.270 5.860 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.980 5.504 12.548 1.00 0.00 H new ATOM 741 N VAL A 45 3.759 7.258 9.745 1.00 0.00 N ATOM 742 CA VAL A 45 2.344 7.063 9.486 1.00 0.00 C ATOM 743 C VAL A 45 2.104 6.034 8.379 1.00 0.00 C ATOM 744 O VAL A 45 1.130 5.295 8.441 1.00 0.00 O ATOM 745 CB VAL A 45 1.662 8.401 9.164 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.632 9.317 10.393 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.291 9.143 7.980 1.00 0.00 C ATOM 0 H VAL A 45 4.052 8.235 9.713 1.00 0.00 H new ATOM 0 HA VAL A 45 1.894 6.662 10.394 1.00 0.00 H new ATOM 0 HB VAL A 45 0.643 8.144 8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.143 10.257 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.080 8.830 11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.652 9.517 10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.757 10.078 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.337 9.357 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.227 8.523 7.086 1.00 0.00 H new ATOM 757 N LEU A 46 2.977 5.961 7.370 1.00 0.00 N ATOM 758 CA LEU A 46 2.865 4.951 6.339 1.00 0.00 C ATOM 759 C LEU A 46 3.326 3.596 6.863 1.00 0.00 C ATOM 760 O LEU A 46 2.681 2.577 6.617 1.00 0.00 O ATOM 761 CB LEU A 46 3.644 5.369 5.084 1.00 0.00 C ATOM 762 CG LEU A 46 2.705 5.843 3.971 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.544 6.360 2.803 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.825 4.688 3.487 1.00 0.00 C ATOM 0 H LEU A 46 3.767 6.595 7.254 1.00 0.00 H new ATOM 0 HA LEU A 46 1.816 4.855 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.342 6.167 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.238 4.528 4.726 1.00 0.00 H new ATOM 0 HG LEU A 46 2.064 6.635 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.885 6.700 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.164 7.190 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.182 5.559 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.163 5.041 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.456 3.887 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.228 4.312 4.318 1.00 0.00 H new ATOM 776 N ARG A 47 4.452 3.581 7.577 1.00 0.00 N ATOM 777 CA ARG A 47 5.012 2.354 8.123 1.00 0.00 C ATOM 778 C ARG A 47 4.147 1.709 9.209 1.00 0.00 C ATOM 779 O ARG A 47 4.354 0.538 9.518 1.00 0.00 O ATOM 780 CB ARG A 47 6.461 2.570 8.594 1.00 0.00 C ATOM 781 CG ARG A 47 7.438 1.803 7.691 1.00 0.00 C ATOM 782 CD ARG A 47 8.891 1.799 8.184 1.00 0.00 C ATOM 783 NE ARG A 47 9.026 1.144 9.496 1.00 0.00 N ATOM 784 CZ ARG A 47 8.933 1.737 10.701 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.811 3.063 10.824 1.00 0.00 N ATOM 786 NH2 ARG A 47 8.945 0.976 11.802 1.00 0.00 N ATOM 0 H ARG A 47 4.996 4.417 7.790 1.00 0.00 H new ATOM 0 HA ARG A 47 5.023 1.635 7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.700 3.633 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.569 2.234 9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.096 0.772 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.408 2.238 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.519 1.286 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.254 2.825 8.252 1.00 0.00 H new ATOM 0 HE ARG A 47 9.208 0.140 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.786 3.652 9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.742 3.485 11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.024 -0.038 11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.875 1.410 12.723 1.00 0.00 H new ATOM 800 N GLU A 48 3.203 2.456 9.781 1.00 0.00 N ATOM 801 CA GLU A 48 2.348 2.032 10.874 1.00 0.00 C ATOM 802 C GLU A 48 1.657 0.703 10.592 1.00 0.00 C ATOM 803 O GLU A 48 1.882 -0.282 11.292 1.00 0.00 O ATOM 804 CB GLU A 48 1.329 3.145 11.164 1.00 0.00 C ATOM 805 CG GLU A 48 1.694 3.986 12.391 1.00 0.00 C ATOM 806 CD GLU A 48 1.453 3.208 13.679 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.274 3.153 14.089 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.442 2.664 14.215 1.00 0.00 O ATOM 0 H GLU A 48 3.010 3.411 9.478 1.00 0.00 H new ATOM 0 HA GLU A 48 2.967 1.862 11.755 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.253 3.796 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.346 2.699 11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.741 4.285 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.101 4.901 12.398 1.00 0.00 H new ATOM 815 N GLN A 49 0.801 0.685 9.570 1.00 0.00 N ATOM 816 CA GLN A 49 0.136 -0.538 9.171 1.00 0.00 C ATOM 817 C GLN A 49 1.158 -1.343 8.380 1.00 0.00 C ATOM 818 O GLN A 49 1.783 -2.256 8.917 1.00 0.00 O ATOM 819 CB GLN A 49 -1.136 -0.212 8.369 1.00 0.00 C ATOM 820 CG GLN A 49 -2.215 0.450 9.238 1.00 0.00 C ATOM 821 CD GLN A 49 -2.809 -0.506 10.271 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.455 -0.466 11.443 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.728 -1.367 9.852 1.00 0.00 N ATOM 0 H GLN A 49 0.558 1.503 9.011 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.203 -1.126 10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.882 0.450 7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.534 -1.129 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.785 1.311 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.012 0.826 8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.005 -1.380 8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.157 -2.016 10.512 1.00 0.00 H new ATOM 832 N ALA A 50 1.361 -0.945 7.120 1.00 0.00 N ATOM 833 CA ALA A 50 2.207 -1.624 6.154 1.00 0.00 C ATOM 834 C ALA A 50 1.963 -3.148 6.052 1.00 0.00 C ATOM 835 O ALA A 50 1.210 -3.755 6.809 1.00 0.00 O ATOM 836 CB ALA A 50 3.661 -1.221 6.423 1.00 0.00 C ATOM 0 H ALA A 50 0.920 -0.108 6.738 1.00 0.00 H new ATOM 0 HA ALA A 50 1.937 -1.294 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.315 -1.720 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.765 -0.141 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.939 -1.515 7.435 1.00 0.00 H new ATOM 842 N GLY A 51 2.559 -3.782 5.042 1.00 0.00 N ATOM 843 CA GLY A 51 2.266 -5.164 4.682 1.00 0.00 C ATOM 844 C GLY A 51 0.788 -5.355 4.374 1.00 0.00 C ATOM 845 O GLY A 51 0.205 -6.381 4.706 1.00 0.00 O ATOM 0 H GLY A 51 3.264 -3.345 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.860 -5.449 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.557 -5.824 5.499 1.00 0.00 H new ATOM 849 N GLY A 52 0.169 -4.366 3.736 1.00 0.00 N ATOM 850 CA GLY A 52 -1.247 -4.380 3.497 1.00 0.00 C ATOM 851 C GLY A 52 -1.941 -3.492 4.511 1.00 0.00 C ATOM 852 O GLY A 52 -1.401 -2.476 4.948 1.00 0.00 O ATOM 0 H GLY A 52 0.645 -3.539 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.459 -4.031 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.628 -5.399 3.569 1.00 0.00 H new ATOM 856 N ASP A 53 -3.168 -3.899 4.808 1.00 0.00 N ATOM 857 CA ASP A 53 -4.083 -3.422 5.831 1.00 0.00 C ATOM 858 C ASP A 53 -4.086 -1.904 5.994 1.00 0.00 C ATOM 859 O ASP A 53 -4.213 -1.395 7.107 1.00 0.00 O ATOM 860 CB ASP A 53 -3.817 -4.179 7.146 1.00 0.00 C ATOM 861 CG ASP A 53 -3.606 -5.680 6.941 1.00 0.00 C ATOM 862 OD1 ASP A 53 -4.189 -6.208 5.967 1.00 0.00 O ATOM 863 OD2 ASP A 53 -2.820 -6.261 7.723 1.00 0.00 O ATOM 0 H ASP A 53 -3.592 -4.658 4.275 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.099 -3.644 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.936 -3.757 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.657 -4.025 7.823 1.00 0.00 H new ATOM 868 N ALA A 54 -3.956 -1.168 4.886 1.00 0.00 N ATOM 869 CA ALA A 54 -3.825 0.276 4.938 1.00 0.00 C ATOM 870 C ALA A 54 -5.056 0.970 4.380 1.00 0.00 C ATOM 871 O ALA A 54 -5.230 2.157 4.628 1.00 0.00 O ATOM 872 CB ALA A 54 -2.569 0.668 4.181 1.00 0.00 C ATOM 0 H ALA A 54 -3.940 -1.558 3.944 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.741 0.599 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.451 1.751 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.702 0.197 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.650 0.337 3.146 1.00 0.00 H new ATOM 878 N THR A 55 -5.904 0.260 3.634 1.00 0.00 N ATOM 879 CA THR A 55 -7.100 0.798 3.010 1.00 0.00 C ATOM 880 C THR A 55 -7.931 1.562 4.036 1.00 0.00 C ATOM 881 O THR A 55 -8.215 2.741 3.841 1.00 0.00 O ATOM 882 CB THR A 55 -7.861 -0.369 2.373 1.00 0.00 C ATOM 883 OG1 THR A 55 -6.881 -1.185 1.760 1.00 0.00 O ATOM 884 CG2 THR A 55 -8.865 0.142 1.335 1.00 0.00 C ATOM 0 H THR A 55 -5.768 -0.733 3.446 1.00 0.00 H new ATOM 0 HA THR A 55 -6.852 1.517 2.229 1.00 0.00 H new ATOM 0 HB THR A 55 -8.432 -0.924 3.117 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.315 -1.954 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.395 -0.703 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.581 0.807 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.335 0.685 0.553 1.00 0.00 H new ATOM 892 N GLU A 56 -8.256 0.913 5.156 1.00 0.00 N ATOM 893 CA GLU A 56 -8.976 1.544 6.246 1.00 0.00 C ATOM 894 C GLU A 56 -8.294 2.833 6.715 1.00 0.00 C ATOM 895 O GLU A 56 -8.974 3.814 6.973 1.00 0.00 O ATOM 896 CB GLU A 56 -9.134 0.522 7.376 1.00 0.00 C ATOM 897 CG GLU A 56 -10.100 -0.594 6.941 1.00 0.00 C ATOM 898 CD GLU A 56 -9.498 -1.977 7.122 1.00 0.00 C ATOM 899 OE1 GLU A 56 -8.445 -2.197 6.482 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.111 -2.775 7.863 1.00 0.00 O ATOM 0 H GLU A 56 -8.024 -0.066 5.326 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.963 1.851 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.164 0.096 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.512 1.013 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.020 -0.522 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.370 -0.451 5.895 1.00 0.00 H new ATOM 907 N ASN A 57 -6.962 2.857 6.800 1.00 0.00 N ATOM 908 CA ASN A 57 -6.217 4.030 7.258 1.00 0.00 C ATOM 909 C ASN A 57 -6.294 5.157 6.219 1.00 0.00 C ATOM 910 O ASN A 57 -6.571 6.317 6.524 1.00 0.00 O ATOM 911 CB ASN A 57 -4.756 3.635 7.531 1.00 0.00 C ATOM 912 CG ASN A 57 -4.323 4.010 8.943 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.713 5.050 9.161 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.621 3.154 9.915 1.00 0.00 N ATOM 0 H ASN A 57 -6.370 2.064 6.553 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.661 4.399 8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.637 2.561 7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.105 4.127 6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.341 3.355 10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.130 2.296 9.701 1.00 0.00 H new ATOM 921 N PHE A 58 -6.037 4.795 4.964 1.00 0.00 N ATOM 922 CA PHE A 58 -6.095 5.682 3.819 1.00 0.00 C ATOM 923 C PHE A 58 -7.472 6.346 3.735 1.00 0.00 C ATOM 924 O PHE A 58 -7.548 7.564 3.572 1.00 0.00 O ATOM 925 CB PHE A 58 -5.763 4.872 2.560 1.00 0.00 C ATOM 926 CG PHE A 58 -5.677 5.675 1.279 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.511 6.405 0.981 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.747 5.666 0.365 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.406 7.105 -0.234 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.646 6.373 -0.843 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.474 7.088 -1.148 1.00 0.00 C ATOM 0 H PHE A 58 -5.774 3.842 4.715 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.364 6.485 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.812 4.363 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.521 4.099 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.695 6.428 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.647 5.114 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.506 7.655 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.471 6.368 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.395 7.623 -2.083 1.00 0.00 H new ATOM 941 N GLU A 59 -8.532 5.539 3.874 1.00 0.00 N ATOM 942 CA GLU A 59 -9.929 5.947 3.779 1.00 0.00 C ATOM 943 C GLU A 59 -10.393 6.677 5.043 1.00 0.00 C ATOM 944 O GLU A 59 -11.185 7.608 4.944 1.00 0.00 O ATOM 945 CB GLU A 59 -10.814 4.725 3.494 1.00 0.00 C ATOM 946 CG GLU A 59 -10.689 4.246 2.037 1.00 0.00 C ATOM 947 CD GLU A 59 -11.374 5.189 1.053 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.577 5.452 1.260 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.691 5.603 0.091 1.00 0.00 O ATOM 0 H GLU A 59 -8.429 4.542 4.064 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.021 6.650 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.538 3.913 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.854 4.974 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.634 4.157 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.125 3.251 1.946 1.00 0.00 H new ATOM 956 N ASP A 60 -9.892 6.290 6.220 1.00 0.00 N ATOM 957 CA ASP A 60 -10.102 7.025 7.466 1.00 0.00 C ATOM 958 C ASP A 60 -9.704 8.489 7.268 1.00 0.00 C ATOM 959 O ASP A 60 -10.513 9.396 7.454 1.00 0.00 O ATOM 960 CB ASP A 60 -9.289 6.377 8.593 1.00 0.00 C ATOM 961 CG ASP A 60 -9.194 7.286 9.812 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.170 7.303 10.588 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.146 7.956 9.934 1.00 0.00 O ATOM 0 H ASP A 60 -9.325 5.450 6.333 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.155 6.990 7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.751 5.432 8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.287 6.145 8.232 1.00 0.00 H new ATOM 968 N VAL A 61 -8.465 8.713 6.822 1.00 0.00 N ATOM 969 CA VAL A 61 -8.006 10.056 6.480 1.00 0.00 C ATOM 970 C VAL A 61 -8.660 10.540 5.174 1.00 0.00 C ATOM 971 O VAL A 61 -8.707 11.737 4.896 1.00 0.00 O ATOM 972 CB VAL A 61 -6.470 10.098 6.460 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.939 11.482 6.060 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.927 9.754 7.854 1.00 0.00 C ATOM 0 H VAL A 61 -7.766 7.982 6.691 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.324 10.762 7.247 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.134 9.371 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.849 11.467 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.300 11.736 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.291 12.227 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.838 9.784 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.299 10.478 8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.258 8.755 8.137 1.00 0.00 H new ATOM 984 N GLY A 62 -9.153 9.622 4.341 1.00 0.00 N ATOM 985 CA GLY A 62 -9.881 9.926 3.121 1.00 0.00 C ATOM 986 C GLY A 62 -8.905 10.150 1.976 1.00 0.00 C ATOM 987 O GLY A 62 -9.004 9.487 0.947 1.00 0.00 O ATOM 0 H GLY A 62 -9.051 8.621 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.558 9.107 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.495 10.815 3.266 1.00 0.00 H new ATOM 991 N HIS A 63 -7.970 11.087 2.179 1.00 0.00 N ATOM 992 CA HIS A 63 -7.021 11.574 1.180 1.00 0.00 C ATOM 993 C HIS A 63 -7.734 12.303 0.035 1.00 0.00 C ATOM 994 O HIS A 63 -8.926 12.112 -0.202 1.00 0.00 O ATOM 995 CB HIS A 63 -6.134 10.443 0.634 1.00 0.00 C ATOM 996 CG HIS A 63 -5.052 9.988 1.574 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.193 9.180 2.679 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.722 10.249 1.409 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.952 8.983 3.174 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.015 9.601 2.421 1.00 0.00 N ATOM 0 H HIS A 63 -7.853 11.543 3.084 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.372 12.290 1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.766 9.590 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.673 10.777 -0.296 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.065 8.803 3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.290 10.855 0.626 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.736 8.405 4.060 1.00 0.00 H new ATOM 1008 N SER A 64 -7.007 13.151 -0.695 1.00 0.00 N ATOM 1009 CA SER A 64 -7.520 13.704 -1.940 1.00 0.00 C ATOM 1010 C SER A 64 -7.306 12.722 -3.094 1.00 0.00 C ATOM 1011 O SER A 64 -6.431 11.856 -3.056 1.00 0.00 O ATOM 1012 CB SER A 64 -6.864 15.052 -2.236 1.00 0.00 C ATOM 1013 OG SER A 64 -7.133 15.954 -1.180 1.00 0.00 O ATOM 0 H SER A 64 -6.069 13.465 -0.445 1.00 0.00 H new ATOM 0 HA SER A 64 -8.592 13.866 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.788 14.926 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.243 15.453 -3.176 1.00 0.00 H new ATOM 0 HG SER A 64 -6.710 16.817 -1.371 1.00 0.00 H new ATOM 1019 N THR A 65 -8.103 12.896 -4.148 1.00 0.00 N ATOM 1020 CA THR A 65 -8.063 12.088 -5.361 1.00 0.00 C ATOM 1021 C THR A 65 -6.655 12.058 -5.959 1.00 0.00 C ATOM 1022 O THR A 65 -6.228 11.010 -6.443 1.00 0.00 O ATOM 1023 CB THR A 65 -9.126 12.603 -6.342 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.391 12.402 -5.742 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.088 11.881 -7.693 1.00 0.00 C ATOM 0 H THR A 65 -8.815 13.626 -4.180 1.00 0.00 H new ATOM 0 HA THR A 65 -8.302 11.051 -5.125 1.00 0.00 H new ATOM 0 HB THR A 65 -8.929 13.656 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.094 12.723 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.862 12.287 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.111 12.025 -8.155 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.264 10.816 -7.541 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.923 13.175 -5.856 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.494 13.249 -6.123 1.00 0.00 C ATOM 1035 C ASP A 66 -3.781 11.998 -5.628 1.00 0.00 C ATOM 1036 O ASP A 66 -3.099 11.325 -6.393 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.895 14.478 -5.429 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.079 15.730 -6.266 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.218 16.244 -6.244 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.086 16.134 -6.908 1.00 0.00 O ATOM 0 H ASP A 66 -6.325 14.070 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.356 13.329 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.368 14.616 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.833 14.313 -5.246 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.948 11.660 -4.348 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.277 10.509 -3.771 1.00 0.00 C ATOM 1047 C ALA A 67 -3.693 9.222 -4.481 1.00 0.00 C ATOM 1048 O ALA A 67 -2.852 8.366 -4.750 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.574 10.422 -2.277 1.00 0.00 C ATOM 0 H ALA A 67 -4.544 12.171 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.203 10.632 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.066 9.555 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.220 11.327 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.649 10.322 -2.125 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.984 9.070 -4.789 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.466 7.890 -5.490 1.00 0.00 C ATOM 1057 C ARG A 68 -4.774 7.744 -6.844 1.00 0.00 C ATOM 1058 O ARG A 68 -4.233 6.677 -7.134 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.989 7.902 -5.660 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.710 7.700 -4.320 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.203 7.433 -4.541 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.398 6.199 -5.323 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.391 5.972 -6.196 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.454 6.783 -6.226 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.310 4.937 -7.041 1.00 0.00 N ATOM 0 H ARG A 68 -5.708 9.751 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.216 7.026 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.299 8.849 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.284 7.115 -6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.262 6.864 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.582 8.585 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.709 7.345 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.656 8.276 -5.063 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.718 5.451 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.510 7.574 -5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.209 6.610 -6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.495 4.324 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.063 4.761 -7.706 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.796 8.785 -7.682 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.148 8.671 -8.981 1.00 0.00 C ATOM 1081 C GLU A 69 -2.633 8.519 -8.819 1.00 0.00 C ATOM 1082 O GLU A 69 -2.031 7.690 -9.494 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.572 9.779 -9.950 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.237 11.205 -9.511 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.623 12.170 -10.620 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.817 12.287 -11.568 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.746 12.712 -10.533 1.00 0.00 O ATOM 0 H GLU A 69 -5.240 9.683 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.497 7.755 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.099 9.594 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.649 9.709 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.773 11.452 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.173 11.291 -9.291 1.00 0.00 H new ATOM 1094 N LEU A 70 -2.015 9.247 -7.887 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.587 9.131 -7.627 1.00 0.00 C ATOM 1096 C LEU A 70 -0.233 7.684 -7.288 1.00 0.00 C ATOM 1097 O LEU A 70 0.743 7.143 -7.804 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.156 10.082 -6.499 1.00 0.00 C ATOM 1099 CG LEU A 70 1.335 10.448 -6.572 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.586 11.447 -7.712 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.773 11.091 -5.253 1.00 0.00 C ATOM 0 H LEU A 70 -2.491 9.929 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.044 9.419 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.753 10.993 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.365 9.616 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 70 1.905 9.537 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.646 11.696 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.283 11.001 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.007 12.353 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.831 11.349 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.188 11.993 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.613 10.389 -4.435 1.00 0.00 H new ATOM 1113 N SER A 71 -1.059 7.045 -6.452 1.00 0.00 N ATOM 1114 CA SER A 71 -0.885 5.660 -6.049 1.00 0.00 C ATOM 1115 C SER A 71 -0.593 4.757 -7.253 1.00 0.00 C ATOM 1116 O SER A 71 0.262 3.883 -7.153 1.00 0.00 O ATOM 1117 CB SER A 71 -2.085 5.187 -5.213 1.00 0.00 C ATOM 1118 OG SER A 71 -1.766 4.015 -4.490 1.00 0.00 O ATOM 0 H SER A 71 -1.877 7.489 -6.035 1.00 0.00 H new ATOM 0 HA SER A 71 -0.007 5.590 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.385 5.975 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.936 4.995 -5.867 1.00 0.00 H new ATOM 0 HG SER A 71 -1.561 3.290 -5.116 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.224 4.975 -8.416 1.00 0.00 N ATOM 1125 CA LYS A 72 -0.951 4.176 -9.597 1.00 0.00 C ATOM 1126 C LYS A 72 0.545 4.080 -9.916 1.00 0.00 C ATOM 1127 O LYS A 72 1.024 3.009 -10.273 1.00 0.00 O ATOM 1128 CB LYS A 72 -1.710 4.719 -10.807 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.102 4.094 -10.977 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.557 4.105 -12.445 1.00 0.00 C ATOM 1131 CE LYS A 72 -2.659 3.221 -13.334 1.00 0.00 C ATOM 1132 NZ LYS A 72 -1.811 4.012 -14.253 1.00 0.00 N ATOM 0 H LYS A 72 -1.926 5.702 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.299 3.168 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.813 5.800 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.124 4.536 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.087 3.068 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.823 4.641 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.587 3.755 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.545 5.128 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.023 2.603 -12.700 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.284 2.543 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.950 3.475 -14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.337 4.208 -15.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.550 4.910 -13.798 1.00 0.00 H new ATOM 1146 N THR A 73 1.294 5.173 -9.797 1.00 0.00 N ATOM 1147 CA THR A 73 2.728 5.166 -10.032 1.00 0.00 C ATOM 1148 C THR A 73 3.464 4.144 -9.149 1.00 0.00 C ATOM 1149 O THR A 73 4.538 3.680 -9.520 1.00 0.00 O ATOM 1150 CB THR A 73 3.229 6.604 -9.844 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.698 7.399 -10.885 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.747 6.715 -9.852 1.00 0.00 C ATOM 0 H THR A 73 0.921 6.085 -9.535 1.00 0.00 H new ATOM 0 HA THR A 73 2.943 4.837 -11.049 1.00 0.00 H new ATOM 0 HB THR A 73 2.895 6.946 -8.865 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.006 8.323 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.036 7.757 -9.715 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.160 6.114 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.133 6.354 -10.805 1.00 0.00 H new ATOM 1160 N TYR A 74 2.890 3.777 -8.001 1.00 0.00 N ATOM 1161 CA TYR A 74 3.469 2.836 -7.051 1.00 0.00 C ATOM 1162 C TYR A 74 2.821 1.453 -7.140 1.00 0.00 C ATOM 1163 O TYR A 74 3.102 0.579 -6.316 1.00 0.00 O ATOM 1164 CB TYR A 74 3.254 3.391 -5.646 1.00 0.00 C ATOM 1165 CG TYR A 74 3.705 4.823 -5.418 1.00 0.00 C ATOM 1166 CD1 TYR A 74 4.897 5.313 -5.991 1.00 0.00 C ATOM 1167 CD2 TYR A 74 2.877 5.697 -4.693 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.204 6.683 -5.914 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.191 7.062 -4.608 1.00 0.00 C ATOM 1170 CZ TYR A 74 4.335 7.562 -5.247 1.00 0.00 C ATOM 1171 OH TYR A 74 4.573 8.905 -5.246 1.00 0.00 O ATOM 0 H TYR A 74 1.984 4.139 -7.702 1.00 0.00 H new ATOM 0 HA TYR A 74 4.528 2.720 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.192 3.324 -5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.780 2.749 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.574 4.635 -6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.995 5.316 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.109 7.060 -6.368 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.551 7.729 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 74 4.740 9.207 -4.329 1.00 0.00 H new ATOM 1181 N ILE A 75 1.917 1.267 -8.100 1.00 0.00 N ATOM 1182 CA ILE A 75 1.154 0.040 -8.254 1.00 0.00 C ATOM 1183 C ILE A 75 2.109 -1.087 -8.617 1.00 0.00 C ATOM 1184 O ILE A 75 2.641 -1.139 -9.723 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.014 0.254 -9.235 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.225 -0.621 -8.880 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.319 0.093 -10.728 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.490 -0.026 -9.502 1.00 0.00 C ATOM 0 H ILE A 75 1.695 1.976 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 75 0.675 -0.254 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.255 1.309 -9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.072 -1.637 -9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.335 -0.684 -7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.579 0.266 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.086 0.815 -11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.686 -0.917 -10.912 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.348 -0.649 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.646 0.981 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.378 0.014 -10.586 1.00 0.00 H new ATOM 1200 N ILE A 76 2.365 -1.978 -7.662 1.00 0.00 N ATOM 1201 CA ILE A 76 3.204 -3.124 -7.943 1.00 0.00 C ATOM 1202 C ILE A 76 2.365 -4.192 -8.620 1.00 0.00 C ATOM 1203 O ILE A 76 2.887 -4.912 -9.466 1.00 0.00 O ATOM 1204 CB ILE A 76 3.902 -3.655 -6.687 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.923 -3.978 -5.547 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.968 -2.651 -6.244 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.606 -4.746 -4.423 1.00 0.00 C ATOM 0 H ILE A 76 2.009 -1.926 -6.708 1.00 0.00 H new ATOM 0 HA ILE A 76 4.005 -2.817 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 76 4.376 -4.604 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.504 -3.052 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.091 -4.565 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.469 -3.023 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.699 -2.521 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.497 -1.693 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.883 -4.957 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.003 -5.684 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.422 -4.148 -4.017 1.00 0.00 H new ATOM 1219 N GLY A 77 1.093 -4.315 -8.227 1.00 0.00 N ATOM 1220 CA GLY A 77 0.312 -5.479 -8.579 1.00 0.00 C ATOM 1221 C GLY A 77 -1.108 -5.398 -8.050 1.00 0.00 C ATOM 1222 O GLY A 77 -1.619 -4.307 -7.784 1.00 0.00 O ATOM 0 H GLY A 77 0.595 -3.621 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.288 -5.584 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.795 -6.372 -8.183 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.733 -6.562 -7.872 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.136 -6.686 -7.538 1.00 0.00 C ATOM 1228 C GLU A 78 -3.371 -7.815 -6.528 1.00 0.00 C ATOM 1229 O GLU A 78 -2.493 -8.640 -6.292 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.981 -6.774 -8.822 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.418 -7.710 -9.907 1.00 0.00 C ATOM 1232 CD GLU A 78 -2.287 -7.143 -10.765 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -2.273 -5.907 -10.951 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -1.471 -7.963 -11.245 1.00 0.00 O ATOM 0 H GLU A 78 -1.259 -7.461 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.475 -5.787 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.983 -7.110 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.081 -5.773 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.059 -8.619 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.236 -8.001 -10.566 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.526 -7.802 -5.856 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.845 -8.798 -4.838 1.00 0.00 C ATOM 1243 C LEU A 79 -5.166 -10.128 -5.519 1.00 0.00 C ATOM 1244 O LEU A 79 -5.946 -10.145 -6.471 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.029 -8.326 -3.974 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.576 -7.648 -2.672 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.762 -6.934 -2.015 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -5.031 -8.680 -1.675 1.00 0.00 C ATOM 0 H LEU A 79 -5.258 -7.106 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.986 -8.932 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.639 -7.629 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.662 -9.180 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.791 -6.936 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.433 -6.456 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.154 -6.178 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.544 -7.659 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.717 -8.174 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.810 -9.404 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.178 -9.196 -2.115 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.566 -11.228 -5.043 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.693 -12.550 -5.646 1.00 0.00 C ATOM 1262 C HIS A 80 -6.154 -12.910 -5.943 1.00 0.00 C ATOM 1263 O HIS A 80 -7.026 -12.658 -5.107 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.041 -13.586 -4.724 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.578 -14.832 -5.424 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.128 -16.089 -5.307 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.493 -14.924 -6.254 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.398 -16.916 -6.076 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.392 -16.253 -6.668 1.00 0.00 N ATOM 0 H HIS A 80 -3.971 -11.218 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.178 -12.545 -6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.188 -13.125 -4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.753 -13.863 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.835 -14.115 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.594 -17.971 -6.200 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.691 -16.644 -7.297 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.449 -13.531 -7.100 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.819 -13.774 -7.509 1.00 0.00 C ATOM 1279 C PRO A 81 -8.495 -14.849 -6.649 1.00 0.00 C ATOM 1280 O PRO A 81 -9.684 -15.098 -6.815 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.738 -14.144 -8.991 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.373 -14.814 -9.118 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.523 -14.097 -8.075 1.00 0.00 C ATOM 0 HA PRO A 81 -8.449 -12.896 -7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.544 -14.818 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.814 -13.263 -9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.432 -15.884 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.961 -14.697 -10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.832 -14.790 -7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.921 -13.315 -8.537 1.00 0.00 H new