USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 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= 1.17 K(o=-0.048,f=-4.7!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.22 K(o=-0.048,f=-3.1!) USER MOD Set 2.1: A 21 THR OG1 : rot 90:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot -139:sc= 0.926 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 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.0122 K(o=-0.012,f=-0.74) USER MOD Single : A 27 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.22) USER MOD Single : A 55 THR OG1 : rot 170:sc= 0.149 USER MOD Single : A 57 ASN : amide:sc= -0.0591 K(o=-0.059,f=-2.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 71 SER OG : rot 63:sc= 0.793 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 0.02 (180deg=0.00122) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -146:sc= 1.34 USER MOD Single : A 80 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.312 -9.010 -10.964 1.00 0.00 N ATOM 66 CA LYS A 5 1.838 -9.336 -9.650 1.00 0.00 C ATOM 67 C LYS A 5 0.644 -9.537 -8.715 1.00 0.00 C ATOM 68 O LYS A 5 0.419 -8.789 -7.770 1.00 0.00 O ATOM 69 CB LYS A 5 2.861 -8.293 -9.187 1.00 0.00 C ATOM 70 CG LYS A 5 4.327 -8.537 -9.592 1.00 0.00 C ATOM 71 CD LYS A 5 4.730 -7.780 -10.875 1.00 0.00 C ATOM 72 CE LYS A 5 6.035 -6.977 -10.723 1.00 0.00 C ATOM 73 NZ LYS A 5 7.228 -7.766 -11.089 1.00 0.00 N ATOM 0 HA LYS A 5 2.408 -10.265 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.557 -7.321 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.814 -8.229 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.980 -8.230 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.484 -9.605 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.844 -8.495 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.925 -7.102 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.985 -6.087 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.131 -6.636 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.080 -7.182 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.293 -8.603 -10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.152 -8.070 -12.081 1.00 0.00 H new ATOM 87 N TYR A 6 -0.165 -10.548 -9.018 1.00 0.00 N ATOM 88 CA TYR A 6 -1.287 -10.913 -8.175 1.00 0.00 C ATOM 89 C TYR A 6 -0.755 -11.569 -6.903 1.00 0.00 C ATOM 90 O TYR A 6 -0.184 -12.654 -6.985 1.00 0.00 O ATOM 91 CB TYR A 6 -2.240 -11.824 -8.945 1.00 0.00 C ATOM 92 CG TYR A 6 -3.022 -11.071 -10.000 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.215 -10.411 -9.649 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.471 -10.872 -11.278 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.939 -9.697 -10.618 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.133 -10.043 -12.196 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.410 -9.547 -11.909 1.00 0.00 C ATOM 98 OH TYR A 6 -5.128 -8.922 -12.883 1.00 0.00 O ATOM 0 H TYR A 6 -0.059 -11.130 -9.849 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.855 -10.029 -7.887 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.672 -12.625 -9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.933 -12.294 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.575 -10.454 -8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.544 -11.354 -11.551 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.898 -9.266 -10.371 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.655 -9.786 -13.130 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.608 -8.906 -13.714 1.00 0.00 H new ATOM 108 N TYR A 7 -0.919 -10.920 -5.746 1.00 0.00 N ATOM 109 CA TYR A 7 -0.455 -11.450 -4.468 1.00 0.00 C ATOM 110 C TYR A 7 -1.600 -11.581 -3.472 1.00 0.00 C ATOM 111 O TYR A 7 -2.561 -10.810 -3.502 1.00 0.00 O ATOM 112 CB TYR A 7 0.650 -10.566 -3.894 1.00 0.00 C ATOM 113 CG TYR A 7 1.902 -10.492 -4.744 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.642 -11.660 -5.006 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.371 -9.252 -5.214 1.00 0.00 C ATOM 116 CE1 TYR A 7 3.820 -11.596 -5.768 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.605 -9.178 -5.883 1.00 0.00 C ATOM 118 CZ TYR A 7 4.302 -10.352 -6.205 1.00 0.00 C ATOM 119 OH TYR A 7 5.426 -10.282 -6.976 1.00 0.00 O ATOM 0 H TYR A 7 -1.378 -10.012 -5.673 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.052 -12.447 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.258 -9.558 -3.759 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.919 -10.938 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.303 -12.610 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.784 -8.358 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.354 -12.501 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.017 -8.216 -6.149 1.00 0.00 H new ATOM 0 HH TYR A 7 5.503 -11.096 -7.516 1.00 0.00 H new ATOM 129 N THR A 8 -1.500 -12.586 -2.600 1.00 0.00 N ATOM 130 CA THR A 8 -2.481 -12.833 -1.557 1.00 0.00 C ATOM 131 C THR A 8 -2.290 -11.835 -0.413 1.00 0.00 C ATOM 132 O THR A 8 -1.303 -11.103 -0.364 1.00 0.00 O ATOM 133 CB THR A 8 -2.367 -14.274 -1.035 1.00 0.00 C ATOM 134 OG1 THR A 8 -1.257 -14.396 -0.166 1.00 0.00 O ATOM 135 CG2 THR A 8 -2.243 -15.306 -2.162 1.00 0.00 C ATOM 0 H THR A 8 -0.728 -13.253 -2.603 1.00 0.00 H new ATOM 0 HA THR A 8 -3.478 -12.701 -1.978 1.00 0.00 H new ATOM 0 HB THR A 8 -3.292 -14.482 -0.497 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.197 -15.318 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.166 -16.305 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.123 -15.253 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.351 -15.095 -2.752 1.00 0.00 H new ATOM 143 N LEU A 9 -3.219 -11.839 0.537 1.00 0.00 N ATOM 144 CA LEU A 9 -3.230 -10.904 1.640 1.00 0.00 C ATOM 145 C LEU A 9 -2.116 -11.294 2.608 1.00 0.00 C ATOM 146 O LEU A 9 -1.286 -10.456 2.946 1.00 0.00 O ATOM 147 CB LEU A 9 -4.616 -10.926 2.308 1.00 0.00 C ATOM 148 CG LEU A 9 -5.806 -10.478 1.433 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.777 -8.982 1.103 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.989 -11.274 0.136 1.00 0.00 C ATOM 0 H LEU A 9 -3.993 -12.503 0.557 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.048 -9.884 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.811 -11.940 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.580 -10.287 3.190 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.666 -10.692 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.639 -8.729 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.810 -8.405 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.861 -8.747 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.849 -10.887 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.094 -11.178 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.154 -12.325 0.374 1.00 0.00 H new ATOM 162 N GLU A 10 -2.063 -12.569 3.019 1.00 0.00 N ATOM 163 CA GLU A 10 -1.020 -13.045 3.913 1.00 0.00 C ATOM 164 C GLU A 10 0.364 -12.760 3.323 1.00 0.00 C ATOM 165 O GLU A 10 1.239 -12.287 4.045 1.00 0.00 O ATOM 166 CB GLU A 10 -1.210 -14.529 4.266 1.00 0.00 C ATOM 167 CG GLU A 10 -0.234 -14.886 5.399 1.00 0.00 C ATOM 168 CD GLU A 10 -0.383 -16.299 5.946 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.543 -16.746 6.070 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.678 -16.882 6.267 1.00 0.00 O ATOM 0 H GLU A 10 -2.736 -13.284 2.741 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.096 -12.495 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.238 -14.716 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.023 -15.154 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.786 -14.757 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.373 -14.178 6.216 1.00 0.00 H new ATOM 177 N GLU A 11 0.555 -13.009 2.020 1.00 0.00 N ATOM 178 CA GLU A 11 1.811 -12.678 1.352 1.00 0.00 C ATOM 179 C GLU A 11 2.201 -11.238 1.691 1.00 0.00 C ATOM 180 O GLU A 11 3.232 -11.000 2.323 1.00 0.00 O ATOM 181 CB GLU A 11 1.690 -12.917 -0.163 1.00 0.00 C ATOM 182 CG GLU A 11 2.968 -12.610 -0.962 1.00 0.00 C ATOM 183 CD GLU A 11 4.042 -13.689 -0.854 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.934 -14.532 0.061 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.943 -13.662 -1.719 1.00 0.00 O ATOM 0 H GLU A 11 -0.145 -13.437 1.414 1.00 0.00 H new ATOM 0 HA GLU A 11 2.608 -13.330 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.412 -13.957 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.878 -12.302 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.705 -12.477 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.382 -11.663 -0.615 1.00 0.00 H new ATOM 192 N ILE A 12 1.361 -10.260 1.333 1.00 0.00 N ATOM 193 CA ILE A 12 1.714 -8.883 1.620 1.00 0.00 C ATOM 194 C ILE A 12 1.832 -8.632 3.127 1.00 0.00 C ATOM 195 O ILE A 12 2.693 -7.870 3.554 1.00 0.00 O ATOM 196 CB ILE A 12 0.784 -7.894 0.920 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.552 -8.265 -0.546 1.00 0.00 C ATOM 198 CG2 ILE A 12 1.452 -6.510 0.947 1.00 0.00 C ATOM 199 CD1 ILE A 12 1.783 -8.753 -1.315 1.00 0.00 C ATOM 0 H ILE A 12 0.467 -10.396 0.862 1.00 0.00 H new ATOM 0 HA ILE A 12 2.705 -8.706 1.202 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.175 -7.905 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.210 -9.043 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.147 -7.394 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.806 -5.785 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.615 -6.205 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.409 -6.558 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.501 -8.987 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.544 -7.973 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.181 -9.647 -0.835 1.00 0.00 H new ATOM 211 N GLN A 13 1.028 -9.299 3.955 1.00 0.00 N ATOM 212 CA GLN A 13 1.130 -9.188 5.406 1.00 0.00 C ATOM 213 C GLN A 13 2.550 -9.498 5.896 1.00 0.00 C ATOM 214 O GLN A 13 3.002 -8.920 6.883 1.00 0.00 O ATOM 215 CB GLN A 13 0.079 -10.068 6.097 1.00 0.00 C ATOM 216 CG GLN A 13 -0.225 -9.564 7.516 1.00 0.00 C ATOM 217 CD GLN A 13 -0.282 -10.707 8.521 1.00 0.00 C ATOM 218 OE1 GLN A 13 0.703 -10.998 9.193 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.427 -11.373 8.635 1.00 0.00 N ATOM 0 H GLN A 13 0.291 -9.929 3.638 1.00 0.00 H new ATOM 0 HA GLN A 13 0.922 -8.154 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.838 -10.075 5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.436 -11.097 6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.541 -8.850 7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.176 -9.031 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.230 -11.109 8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.503 -12.148 9.294 1.00 0.00 H new ATOM 228 N LYS A 14 3.263 -10.393 5.204 1.00 0.00 N ATOM 229 CA LYS A 14 4.628 -10.753 5.561 1.00 0.00 C ATOM 230 C LYS A 14 5.611 -9.661 5.109 1.00 0.00 C ATOM 231 O LYS A 14 6.670 -9.500 5.717 1.00 0.00 O ATOM 232 CB LYS A 14 4.963 -12.148 5.002 1.00 0.00 C ATOM 233 CG LYS A 14 4.026 -13.238 5.561 1.00 0.00 C ATOM 234 CD LYS A 14 4.391 -13.670 6.993 1.00 0.00 C ATOM 235 CE LYS A 14 5.174 -14.995 7.037 1.00 0.00 C ATOM 236 NZ LYS A 14 4.386 -16.082 7.660 1.00 0.00 N ATOM 0 H LYS A 14 2.906 -10.884 4.384 1.00 0.00 H new ATOM 0 HA LYS A 14 4.725 -10.815 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.889 -12.130 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.995 -12.398 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.001 -12.869 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.059 -14.108 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.985 -12.887 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.478 -13.773 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.454 -15.285 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.099 -14.852 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.949 -16.957 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.140 -15.817 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.515 -16.237 7.113 1.00 0.00 H new ATOM 250 N HIS A 15 5.258 -8.869 4.090 1.00 0.00 N ATOM 251 CA HIS A 15 6.029 -7.708 3.657 1.00 0.00 C ATOM 252 C HIS A 15 5.870 -6.557 4.659 1.00 0.00 C ATOM 253 O HIS A 15 5.239 -5.537 4.376 1.00 0.00 O ATOM 254 CB HIS A 15 5.613 -7.298 2.237 1.00 0.00 C ATOM 255 CG HIS A 15 6.355 -8.031 1.156 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.513 -7.592 0.557 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.012 -9.228 0.589 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.862 -8.511 -0.358 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.982 -9.525 -0.375 1.00 0.00 N ATOM 0 H HIS A 15 4.415 -9.023 3.537 1.00 0.00 H new ATOM 0 HA HIS A 15 7.087 -7.968 3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.544 -7.474 2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.775 -6.227 2.115 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.152 -9.832 0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.732 -8.444 -0.994 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.014 -10.350 -0.973 1.00 0.00 H new ATOM 267 N LYS A 16 6.477 -6.718 5.838 1.00 0.00 N ATOM 268 CA LYS A 16 6.589 -5.686 6.858 1.00 0.00 C ATOM 269 C LYS A 16 8.054 -5.554 7.295 1.00 0.00 C ATOM 270 O LYS A 16 8.346 -5.279 8.459 1.00 0.00 O ATOM 271 CB LYS A 16 5.646 -6.039 8.019 1.00 0.00 C ATOM 272 CG LYS A 16 5.382 -4.822 8.915 1.00 0.00 C ATOM 273 CD LYS A 16 4.539 -5.170 10.148 1.00 0.00 C ATOM 274 CE LYS A 16 3.051 -5.269 9.782 1.00 0.00 C ATOM 275 NZ LYS A 16 2.183 -5.385 10.970 1.00 0.00 N ATOM 0 H LYS A 16 6.915 -7.598 6.112 1.00 0.00 H new ATOM 0 HA LYS A 16 6.288 -4.713 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.702 -6.412 7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.082 -6.842 8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.334 -4.399 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.872 -4.053 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.878 -6.116 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.679 -4.410 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.762 -4.388 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.896 -6.134 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.190 -5.449 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.438 -6.240 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.309 -4.548 11.575 1.00 0.00 H new ATOM 334 N SER A 20 10.945 -2.451 2.412 1.00 0.00 N ATOM 335 CA SER A 20 9.899 -2.756 1.436 1.00 0.00 C ATOM 336 C SER A 20 8.521 -2.618 2.095 1.00 0.00 C ATOM 337 O SER A 20 7.764 -3.579 2.229 1.00 0.00 O ATOM 338 CB SER A 20 10.119 -4.146 0.816 1.00 0.00 C ATOM 339 OG SER A 20 11.034 -4.067 -0.261 1.00 0.00 O ATOM 0 HA SER A 20 9.947 -2.040 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.497 -4.833 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.169 -4.549 0.465 1.00 0.00 H new ATOM 0 HG SER A 20 11.166 -4.959 -0.645 1.00 0.00 H new ATOM 345 N THR A 21 8.173 -1.389 2.476 1.00 0.00 N ATOM 346 CA THR A 21 6.870 -1.015 2.970 1.00 0.00 C ATOM 347 C THR A 21 5.830 -1.155 1.856 1.00 0.00 C ATOM 348 O THR A 21 5.513 -0.191 1.153 1.00 0.00 O ATOM 349 CB THR A 21 6.961 0.418 3.506 1.00 0.00 C ATOM 350 OG1 THR A 21 7.994 0.489 4.471 1.00 0.00 O ATOM 351 CG2 THR A 21 5.633 0.804 4.145 1.00 0.00 C ATOM 0 H THR A 21 8.824 -0.604 2.443 1.00 0.00 H new ATOM 0 HA THR A 21 6.552 -1.672 3.780 1.00 0.00 H new ATOM 0 HB THR A 21 7.180 1.105 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.839 0.714 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.696 1.823 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.840 0.744 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.412 0.122 4.966 1.00 0.00 H new ATOM 359 N TRP A 22 5.299 -2.368 1.708 1.00 0.00 N ATOM 360 CA TRP A 22 4.202 -2.654 0.800 1.00 0.00 C ATOM 361 C TRP A 22 2.861 -2.437 1.488 1.00 0.00 C ATOM 362 O TRP A 22 2.705 -2.656 2.694 1.00 0.00 O ATOM 363 CB TRP A 22 4.263 -4.095 0.318 1.00 0.00 C ATOM 364 CG TRP A 22 5.354 -4.461 -0.639 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.528 -3.820 -0.837 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.318 -5.525 -1.629 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.213 -4.425 -1.868 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.528 -5.504 -2.378 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.340 -6.456 -2.019 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.774 -6.399 -3.430 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.594 -7.397 -3.030 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.810 -7.374 -3.734 1.00 0.00 C ATOM 0 H TRP A 22 5.626 -3.185 2.223 1.00 0.00 H new ATOM 0 HA TRP A 22 4.297 -1.976 -0.048 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.354 -4.738 1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.309 -4.332 -0.154 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.875 -2.966 -0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.120 -4.110 -2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.376 -6.448 -1.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.691 -6.339 -3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.850 -8.143 -3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.003 -8.104 -4.506 1.00 0.00 H new ATOM 383 N VAL A 23 1.877 -2.050 0.680 1.00 0.00 N ATOM 384 CA VAL A 23 0.532 -1.733 1.122 1.00 0.00 C ATOM 385 C VAL A 23 -0.467 -2.073 0.007 1.00 0.00 C ATOM 386 O VAL A 23 -0.133 -1.962 -1.169 1.00 0.00 O ATOM 387 CB VAL A 23 0.446 -0.258 1.543 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.872 -0.042 2.999 1.00 0.00 C ATOM 389 CG2 VAL A 23 1.303 0.664 0.670 1.00 0.00 C ATOM 0 H VAL A 23 2.002 -1.947 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 23 0.278 -2.333 1.996 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.606 -0.002 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.794 1.016 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.222 -0.619 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.903 -0.370 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.200 1.692 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.348 0.361 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.971 0.596 -0.366 1.00 0.00 H new ATOM 399 N ILE A 24 -1.681 -2.502 0.368 1.00 0.00 N ATOM 400 CA ILE A 24 -2.787 -2.808 -0.521 1.00 0.00 C ATOM 401 C ILE A 24 -3.918 -1.829 -0.213 1.00 0.00 C ATOM 402 O ILE A 24 -4.468 -1.836 0.892 1.00 0.00 O ATOM 403 CB ILE A 24 -3.212 -4.286 -0.424 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.798 -4.679 0.938 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.024 -5.186 -0.777 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.324 -4.805 0.926 1.00 0.00 C ATOM 0 H ILE A 24 -1.923 -2.651 1.348 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.485 -2.681 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.020 -4.425 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.364 -5.628 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.507 -3.935 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.326 -6.231 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.693 -4.970 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.206 -4.998 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.674 -5.085 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.766 -3.850 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.620 -5.570 0.208 1.00 0.00 H new ATOM 418 N LEU A 25 -4.200 -0.914 -1.145 1.00 0.00 N ATOM 419 CA LEU A 25 -5.219 0.103 -0.930 1.00 0.00 C ATOM 420 C LEU A 25 -6.408 -0.204 -1.835 1.00 0.00 C ATOM 421 O LEU A 25 -6.256 -0.290 -3.054 1.00 0.00 O ATOM 422 CB LEU A 25 -4.694 1.533 -1.086 1.00 0.00 C ATOM 423 CG LEU A 25 -3.389 1.853 -0.326 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.406 3.339 -0.016 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.208 1.168 1.034 1.00 0.00 C ATOM 0 H LEU A 25 -3.735 -0.861 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.544 0.061 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.532 1.728 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.468 2.223 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.588 1.501 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.498 3.609 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.457 3.904 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.275 3.573 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.256 1.470 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.021 1.460 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.219 0.086 0.901 1.00 0.00 H new ATOM 437 N HIS A 26 -7.578 -0.427 -1.234 1.00 0.00 N ATOM 438 CA HIS A 26 -8.768 -0.924 -1.906 1.00 0.00 C ATOM 439 C HIS A 26 -8.487 -2.307 -2.496 1.00 0.00 C ATOM 440 O HIS A 26 -8.715 -3.317 -1.836 1.00 0.00 O ATOM 441 CB HIS A 26 -9.307 0.073 -2.949 1.00 0.00 C ATOM 442 CG HIS A 26 -9.683 1.419 -2.389 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.964 1.868 -2.148 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.830 2.471 -2.187 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.878 3.163 -1.796 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.602 3.579 -1.835 1.00 0.00 N ATOM 0 H HIS A 26 -7.722 -0.260 -0.238 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.566 -1.028 -1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.552 0.213 -3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.182 -0.363 -3.432 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.820 1.319 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.755 2.447 -2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.719 3.782 -1.520 1.00 0.00 H new ATOM 454 N HIS A 27 -7.991 -2.355 -3.736 1.00 0.00 N ATOM 455 CA HIS A 27 -7.755 -3.580 -4.483 1.00 0.00 C ATOM 456 C HIS A 27 -6.613 -3.362 -5.465 1.00 0.00 C ATOM 457 O HIS A 27 -6.845 -3.366 -6.668 1.00 0.00 O ATOM 458 CB HIS A 27 -9.016 -4.021 -5.248 1.00 0.00 C ATOM 459 CG HIS A 27 -10.257 -4.172 -4.416 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.416 -4.981 -3.313 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.395 -3.429 -4.555 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.628 -4.712 -2.797 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.272 -3.790 -3.532 1.00 0.00 N ATOM 0 H HIS A 27 -7.738 -1.515 -4.257 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.495 -4.367 -3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.214 -3.295 -6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.809 -4.973 -5.737 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.583 -2.692 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.031 -5.176 -1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.212 -3.427 -3.374 1.00 0.00 H new ATOM 471 N LYS A 28 -5.393 -3.173 -4.959 1.00 0.00 N ATOM 472 CA LYS A 28 -4.181 -3.098 -5.762 1.00 0.00 C ATOM 473 C LYS A 28 -2.990 -3.016 -4.815 1.00 0.00 C ATOM 474 O LYS A 28 -3.115 -2.387 -3.764 1.00 0.00 O ATOM 475 CB LYS A 28 -4.245 -1.917 -6.744 1.00 0.00 C ATOM 476 CG LYS A 28 -4.548 -2.416 -8.163 1.00 0.00 C ATOM 477 CD LYS A 28 -5.440 -1.453 -8.958 1.00 0.00 C ATOM 478 CE LYS A 28 -5.681 -2.085 -10.337 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.289 -1.177 -11.319 1.00 0.00 N ATOM 0 H LYS A 28 -5.221 -3.066 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.074 -3.989 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.015 -1.214 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.298 -1.378 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.610 -2.561 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.035 -3.389 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.385 -1.289 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.959 -0.480 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.730 -2.444 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.325 -2.956 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.419 -1.678 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.212 -0.853 -10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.667 -0.356 -11.465 1.00 0.00 H new ATOM 493 N VAL A 29 -1.880 -3.687 -5.152 1.00 0.00 N ATOM 494 CA VAL A 29 -0.693 -3.735 -4.310 1.00 0.00 C ATOM 495 C VAL A 29 0.268 -2.648 -4.786 1.00 0.00 C ATOM 496 O VAL A 29 0.660 -2.603 -5.958 1.00 0.00 O ATOM 497 CB VAL A 29 -0.028 -5.128 -4.291 1.00 0.00 C ATOM 498 CG1 VAL A 29 1.065 -5.159 -3.208 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.010 -6.277 -4.013 1.00 0.00 C ATOM 0 H VAL A 29 -1.787 -4.212 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.982 -3.549 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 29 0.383 -5.282 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.535 -6.142 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.816 -4.401 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.619 -4.956 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.471 -7.225 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.478 -6.128 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.778 -6.295 -4.787 1.00 0.00 H new ATOM 509 N TYR A 30 0.626 -1.770 -3.852 1.00 0.00 N ATOM 510 CA TYR A 30 1.501 -0.639 -4.041 1.00 0.00 C ATOM 511 C TYR A 30 2.767 -0.887 -3.229 1.00 0.00 C ATOM 512 O TYR A 30 2.678 -1.220 -2.043 1.00 0.00 O ATOM 513 CB TYR A 30 0.769 0.627 -3.582 1.00 0.00 C ATOM 514 CG TYR A 30 -0.586 0.809 -4.235 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.653 1.110 -5.602 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.771 0.539 -3.529 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.893 1.249 -6.244 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.014 0.688 -4.168 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.077 1.082 -5.511 1.00 0.00 C ATOM 520 OH TYR A 30 -4.283 1.304 -6.104 1.00 0.00 O ATOM 0 H TYR A 30 0.289 -1.842 -2.892 1.00 0.00 H new ATOM 0 HA TYR A 30 1.777 -0.508 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.641 0.592 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.389 1.496 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.259 1.236 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.727 0.218 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.935 1.483 -7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.925 0.498 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.001 1.142 -5.457 1.00 0.00 H new ATOM 530 N ASP A 31 3.933 -0.738 -3.864 1.00 0.00 N ATOM 531 CA ASP A 31 5.210 -0.757 -3.166 1.00 0.00 C ATOM 532 C ASP A 31 5.625 0.692 -2.997 1.00 0.00 C ATOM 533 O ASP A 31 5.805 1.397 -3.990 1.00 0.00 O ATOM 534 CB ASP A 31 6.278 -1.535 -3.940 1.00 0.00 C ATOM 535 CG ASP A 31 7.556 -1.720 -3.122 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.716 -1.011 -2.105 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.332 -2.635 -3.482 1.00 0.00 O ATOM 0 H ASP A 31 4.012 -0.602 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 31 5.107 -1.263 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.883 -2.511 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.512 -1.007 -4.865 1.00 0.00 H new ATOM 542 N LEU A 32 5.708 1.150 -1.750 1.00 0.00 N ATOM 543 CA LEU A 32 6.178 2.484 -1.468 1.00 0.00 C ATOM 544 C LEU A 32 7.676 2.396 -1.167 1.00 0.00 C ATOM 545 O LEU A 32 8.479 2.325 -2.094 1.00 0.00 O ATOM 546 CB LEU A 32 5.306 3.099 -0.367 1.00 0.00 C ATOM 547 CG LEU A 32 3.822 3.256 -0.775 1.00 0.00 C ATOM 548 CD1 LEU A 32 3.124 4.095 0.297 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.617 3.899 -2.156 1.00 0.00 C ATOM 0 H LEU A 32 5.453 0.608 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 32 6.079 3.166 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.366 2.475 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.707 4.077 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 32 3.395 2.256 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.074 4.221 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.198 3.590 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.602 5.072 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.550 3.974 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.059 4.895 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.096 3.285 -2.918 1.00 0.00 H new ATOM 561 N THR A 33 8.069 2.436 0.110 1.00 0.00 N ATOM 562 CA THR A 33 9.444 2.434 0.596 1.00 0.00 C ATOM 563 C THR A 33 10.174 3.709 0.168 1.00 0.00 C ATOM 564 O THR A 33 10.413 4.603 0.974 1.00 0.00 O ATOM 565 CB THR A 33 10.151 1.089 0.334 1.00 0.00 C ATOM 566 OG1 THR A 33 10.105 0.355 1.543 1.00 0.00 O ATOM 567 CG2 THR A 33 11.627 1.190 -0.052 1.00 0.00 C ATOM 0 H THR A 33 7.393 2.473 0.873 1.00 0.00 H new ATOM 0 HA THR A 33 9.454 2.486 1.685 1.00 0.00 H new ATOM 0 HB THR A 33 9.633 0.631 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.963 -0.097 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.030 0.190 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.725 1.773 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.180 1.678 0.750 1.00 0.00 H new ATOM 575 N LYS A 34 10.433 3.859 -1.123 1.00 0.00 N ATOM 576 CA LYS A 34 11.092 5.027 -1.686 1.00 0.00 C ATOM 577 C LYS A 34 10.182 6.258 -1.711 1.00 0.00 C ATOM 578 O LYS A 34 10.598 7.314 -2.173 1.00 0.00 O ATOM 579 CB LYS A 34 11.609 4.687 -3.086 1.00 0.00 C ATOM 580 CG LYS A 34 12.617 3.528 -3.008 1.00 0.00 C ATOM 581 CD LYS A 34 13.819 3.722 -3.945 1.00 0.00 C ATOM 582 CE LYS A 34 13.842 2.672 -5.062 1.00 0.00 C ATOM 583 NZ LYS A 34 14.923 2.942 -6.033 1.00 0.00 N ATOM 0 H LYS A 34 10.186 3.158 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 34 11.932 5.289 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.776 4.412 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.083 5.562 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.973 3.430 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.112 2.595 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.781 4.719 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.743 3.661 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.979 1.681 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.881 2.665 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.912 2.214 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.778 3.878 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.841 2.924 -5.544 1.00 0.00 H new ATOM 597 N PHE A 35 8.953 6.122 -1.212 1.00 0.00 N ATOM 598 CA PHE A 35 7.981 7.192 -1.102 1.00 0.00 C ATOM 599 C PHE A 35 7.733 7.525 0.370 1.00 0.00 C ATOM 600 O PHE A 35 7.003 8.463 0.664 1.00 0.00 O ATOM 601 CB PHE A 35 6.718 6.743 -1.839 1.00 0.00 C ATOM 602 CG PHE A 35 5.506 7.642 -1.708 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.504 8.944 -2.239 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.383 7.182 -1.001 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.381 9.770 -2.067 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.237 7.975 -0.888 1.00 0.00 C ATOM 607 CZ PHE A 35 3.247 9.282 -1.395 1.00 0.00 C ATOM 0 H PHE A 35 8.602 5.230 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 35 8.340 8.113 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.957 6.644 -2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.447 5.750 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.365 9.309 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.405 6.206 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.389 10.779 -2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.350 7.583 -0.413 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.381 9.915 -1.269 1.00 0.00 H new ATOM 617 N LEU A 36 8.344 6.786 1.304 1.00 0.00 N ATOM 618 CA LEU A 36 8.179 7.028 2.731 1.00 0.00 C ATOM 619 C LEU A 36 8.403 8.515 3.068 1.00 0.00 C ATOM 620 O LEU A 36 7.498 9.165 3.588 1.00 0.00 O ATOM 621 CB LEU A 36 9.115 6.101 3.521 1.00 0.00 C ATOM 622 CG LEU A 36 8.678 4.624 3.673 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.643 3.865 4.595 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.239 4.477 4.180 1.00 0.00 C ATOM 0 H LEU A 36 8.964 6.006 1.086 1.00 0.00 H new ATOM 0 HA LEU A 36 7.154 6.797 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.093 6.117 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.244 6.520 4.519 1.00 0.00 H new ATOM 0 HG LEU A 36 8.712 4.188 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.318 2.829 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.648 3.893 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.650 4.333 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.990 3.419 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.147 4.952 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.555 4.955 3.478 1.00 0.00 H new ATOM 636 N GLU A 37 9.569 9.076 2.735 1.00 0.00 N ATOM 637 CA GLU A 37 9.838 10.494 2.931 1.00 0.00 C ATOM 638 C GLU A 37 8.931 11.370 2.060 1.00 0.00 C ATOM 639 O GLU A 37 8.383 12.357 2.544 1.00 0.00 O ATOM 640 CB GLU A 37 11.317 10.808 2.641 1.00 0.00 C ATOM 641 CG GLU A 37 12.171 10.922 3.914 1.00 0.00 C ATOM 642 CD GLU A 37 12.704 9.576 4.388 1.00 0.00 C ATOM 643 OE1 GLU A 37 11.935 8.594 4.314 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.888 9.555 4.788 1.00 0.00 O ATOM 0 H GLU A 37 10.346 8.559 2.324 1.00 0.00 H new ATOM 0 HA GLU A 37 9.622 10.726 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.730 10.027 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.381 11.742 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.009 11.594 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.574 11.372 4.708 1.00 0.00 H new ATOM 651 N GLU A 38 8.817 11.056 0.763 1.00 0.00 N ATOM 652 CA GLU A 38 8.079 11.893 -0.172 1.00 0.00 C ATOM 653 C GLU A 38 6.612 12.057 0.238 1.00 0.00 C ATOM 654 O GLU A 38 6.023 13.101 -0.037 1.00 0.00 O ATOM 655 CB GLU A 38 8.158 11.324 -1.591 1.00 0.00 C ATOM 656 CG GLU A 38 9.448 11.668 -2.347 1.00 0.00 C ATOM 657 CD GLU A 38 9.291 11.401 -3.843 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.334 11.962 -4.420 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.118 10.638 -4.383 1.00 0.00 O ATOM 0 H GLU A 38 9.231 10.224 0.343 1.00 0.00 H new ATOM 0 HA GLU A 38 8.547 12.877 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.061 10.240 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.307 11.693 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.701 12.716 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.274 11.076 -1.953 1.00 0.00 H new ATOM 666 N HIS A 39 6.013 11.026 0.845 1.00 0.00 N ATOM 667 CA HIS A 39 4.622 11.014 1.269 1.00 0.00 C ATOM 668 C HIS A 39 4.284 12.308 2.011 1.00 0.00 C ATOM 669 O HIS A 39 4.780 12.494 3.124 1.00 0.00 O ATOM 670 CB HIS A 39 4.359 9.770 2.130 1.00 0.00 C ATOM 671 CG HIS A 39 2.954 9.638 2.670 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.623 9.503 3.995 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.793 9.514 1.955 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.298 9.318 4.072 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.741 9.307 2.850 1.00 0.00 N ATOM 0 H HIS A 39 6.502 10.157 1.057 1.00 0.00 H new ATOM 0 HA HIS A 39 3.970 10.963 0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.586 8.884 1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.053 9.778 2.970 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.271 9.537 4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.705 9.567 0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.751 9.194 4.995 1.00 0.00 H new ATOM 683 N PRO A 40 3.459 13.199 1.426 1.00 0.00 N ATOM 684 CA PRO A 40 3.112 14.476 2.027 1.00 0.00 C ATOM 685 C PRO A 40 2.207 14.207 3.229 1.00 0.00 C ATOM 686 O PRO A 40 0.984 14.309 3.152 1.00 0.00 O ATOM 687 CB PRO A 40 2.449 15.308 0.922 1.00 0.00 C ATOM 688 CG PRO A 40 1.934 14.276 -0.071 1.00 0.00 C ATOM 689 CD PRO A 40 2.809 13.041 0.132 1.00 0.00 C ATOM 0 HA PRO A 40 3.968 15.034 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.637 15.919 1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.161 15.988 0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.884 14.047 0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.008 14.645 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.208 12.132 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.548 12.955 -0.665 1.00 0.00 H new ATOM 697 N GLY A 41 2.844 13.806 4.327 1.00 0.00 N ATOM 698 CA GLY A 41 2.202 13.277 5.509 1.00 0.00 C ATOM 699 C GLY A 41 3.196 12.505 6.377 1.00 0.00 C ATOM 700 O GLY A 41 3.130 12.616 7.598 1.00 0.00 O ATOM 0 H GLY A 41 3.860 13.846 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.767 14.093 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.382 12.620 5.218 1.00 0.00 H new ATOM 704 N GLY A 42 4.131 11.745 5.779 1.00 0.00 N ATOM 705 CA GLY A 42 5.196 11.114 6.556 1.00 0.00 C ATOM 706 C GLY A 42 5.566 9.692 6.189 1.00 0.00 C ATOM 707 O GLY A 42 4.809 8.981 5.534 1.00 0.00 O ATOM 0 H GLY A 42 4.166 11.559 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.091 11.730 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.903 11.127 7.606 1.00 0.00 H new ATOM 711 N GLU A 43 6.690 9.260 6.759 1.00 0.00 N ATOM 712 CA GLU A 43 7.109 7.878 6.770 1.00 0.00 C ATOM 713 C GLU A 43 6.261 7.112 7.788 1.00 0.00 C ATOM 714 O GLU A 43 5.554 6.174 7.430 1.00 0.00 O ATOM 715 CB GLU A 43 8.618 7.833 7.058 1.00 0.00 C ATOM 716 CG GLU A 43 9.161 6.404 7.194 1.00 0.00 C ATOM 717 CD GLU A 43 9.067 5.816 8.597 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.181 6.607 9.556 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.876 4.583 8.672 1.00 0.00 O ATOM 0 H GLU A 43 7.343 9.883 7.234 1.00 0.00 H new ATOM 0 HA GLU A 43 6.952 7.391 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.151 8.343 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.823 8.383 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.617 5.756 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.205 6.396 6.881 1.00 0.00 H new ATOM 726 N GLU A 44 6.300 7.533 9.054 1.00 0.00 N ATOM 727 CA GLU A 44 5.762 6.745 10.156 1.00 0.00 C ATOM 728 C GLU A 44 4.291 6.401 9.911 1.00 0.00 C ATOM 729 O GLU A 44 3.924 5.229 9.889 1.00 0.00 O ATOM 730 CB GLU A 44 5.981 7.466 11.493 1.00 0.00 C ATOM 731 CG GLU A 44 5.899 6.474 12.661 1.00 0.00 C ATOM 732 CD GLU A 44 6.032 7.184 14.002 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.011 7.757 14.438 1.00 0.00 O ATOM 734 OE2 GLU A 44 7.151 7.158 14.555 1.00 0.00 O ATOM 0 H GLU A 44 6.704 8.425 9.339 1.00 0.00 H new ATOM 0 HA GLU A 44 6.303 5.800 10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.955 7.956 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.231 8.247 11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.949 5.941 12.622 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.687 5.728 12.563 1.00 0.00 H new ATOM 741 N VAL A 45 3.456 7.411 9.646 1.00 0.00 N ATOM 742 CA VAL A 45 2.047 7.203 9.359 1.00 0.00 C ATOM 743 C VAL A 45 1.833 6.200 8.225 1.00 0.00 C ATOM 744 O VAL A 45 0.852 5.474 8.231 1.00 0.00 O ATOM 745 CB VAL A 45 1.346 8.539 9.066 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.467 9.513 10.244 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.833 9.212 7.776 1.00 0.00 C ATOM 0 H VAL A 45 3.744 8.389 9.626 1.00 0.00 H new ATOM 0 HA VAL A 45 1.593 6.770 10.251 1.00 0.00 H new ATOM 0 HB VAL A 45 0.296 8.287 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.959 10.446 9.999 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.009 9.072 11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.520 9.715 10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.297 10.150 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.902 9.413 7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.647 8.552 6.929 1.00 0.00 H new ATOM 757 N LEU A 46 2.739 6.147 7.248 1.00 0.00 N ATOM 758 CA LEU A 46 2.656 5.209 6.144 1.00 0.00 C ATOM 759 C LEU A 46 3.032 3.815 6.661 1.00 0.00 C ATOM 760 O LEU A 46 2.343 2.830 6.398 1.00 0.00 O ATOM 761 CB LEU A 46 3.587 5.736 5.038 1.00 0.00 C ATOM 762 CG LEU A 46 3.401 5.146 3.639 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.746 3.653 3.626 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.995 5.452 3.112 1.00 0.00 C ATOM 0 H LEU A 46 3.553 6.760 7.206 1.00 0.00 H new ATOM 0 HA LEU A 46 1.654 5.121 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.457 6.816 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.617 5.558 5.348 1.00 0.00 H new ATOM 0 HG LEU A 46 4.100 5.622 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.606 3.256 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.784 3.517 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.093 3.123 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.879 5.025 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.253 5.017 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.852 6.531 3.063 1.00 0.00 H new ATOM 776 N ARG A 47 4.129 3.741 7.420 1.00 0.00 N ATOM 777 CA ARG A 47 4.706 2.500 7.920 1.00 0.00 C ATOM 778 C ARG A 47 3.947 1.929 9.131 1.00 0.00 C ATOM 779 O ARG A 47 4.225 0.805 9.547 1.00 0.00 O ATOM 780 CB ARG A 47 6.204 2.741 8.188 1.00 0.00 C ATOM 781 CG ARG A 47 7.144 1.616 7.728 1.00 0.00 C ATOM 782 CD ARG A 47 7.062 0.362 8.601 1.00 0.00 C ATOM 783 NE ARG A 47 8.359 -0.336 8.665 1.00 0.00 N ATOM 784 CZ ARG A 47 8.682 -1.206 9.634 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.724 -1.649 10.456 1.00 0.00 N ATOM 786 NH2 ARG A 47 9.943 -1.615 9.805 1.00 0.00 N ATOM 0 H ARG A 47 4.651 4.568 7.709 1.00 0.00 H new ATOM 0 HA ARG A 47 4.604 1.721 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.501 3.665 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.344 2.894 9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.904 1.350 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.170 1.985 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.746 0.638 9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.304 -0.312 8.202 1.00 0.00 H new ATOM 0 HE ARG A 47 9.046 -0.148 7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.764 -1.325 10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.954 -2.311 11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.680 -1.265 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.168 -2.277 10.548 1.00 0.00 H new ATOM 800 N GLU A 48 2.981 2.677 9.675 1.00 0.00 N ATOM 801 CA GLU A 48 2.172 2.325 10.833 1.00 0.00 C ATOM 802 C GLU A 48 1.502 0.965 10.653 1.00 0.00 C ATOM 803 O GLU A 48 1.635 0.078 11.493 1.00 0.00 O ATOM 804 CB GLU A 48 1.127 3.432 11.058 1.00 0.00 C ATOM 805 CG GLU A 48 1.498 4.387 12.200 1.00 0.00 C ATOM 806 CD GLU A 48 1.087 3.824 13.556 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.783 2.899 14.027 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.065 4.312 14.084 1.00 0.00 O ATOM 0 H GLU A 48 2.734 3.591 9.295 1.00 0.00 H new ATOM 0 HA GLU A 48 2.815 2.245 11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.009 4.004 10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.162 2.974 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.573 4.567 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.012 5.350 12.042 1.00 0.00 H new ATOM 815 N GLN A 49 0.775 0.802 9.547 1.00 0.00 N ATOM 816 CA GLN A 49 0.147 -0.468 9.235 1.00 0.00 C ATOM 817 C GLN A 49 1.140 -1.286 8.430 1.00 0.00 C ATOM 818 O GLN A 49 1.630 -2.309 8.906 1.00 0.00 O ATOM 819 CB GLN A 49 -1.171 -0.246 8.485 1.00 0.00 C ATOM 820 CG GLN A 49 -2.302 0.173 9.434 1.00 0.00 C ATOM 821 CD GLN A 49 -2.742 -0.957 10.363 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.466 -1.858 9.960 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.280 -0.952 11.612 1.00 0.00 N ATOM 0 H GLN A 49 0.611 1.536 8.858 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.110 -1.012 10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.032 0.522 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.453 -1.162 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.972 1.022 10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.157 0.509 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.678 -0.193 11.930 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.528 -1.708 12.251 1.00 0.00 H new ATOM 832 N ALA A 50 1.440 -0.815 7.215 1.00 0.00 N ATOM 833 CA ALA A 50 2.202 -1.561 6.230 1.00 0.00 C ATOM 834 C ALA A 50 1.616 -2.967 6.070 1.00 0.00 C ATOM 835 O ALA A 50 0.465 -3.212 6.423 1.00 0.00 O ATOM 836 CB ALA A 50 3.678 -1.548 6.641 1.00 0.00 C ATOM 0 H ALA A 50 1.153 0.109 6.892 1.00 0.00 H new ATOM 0 HA ALA A 50 2.137 -1.098 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.264 -2.105 5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.035 -0.519 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.787 -2.011 7.622 1.00 0.00 H new ATOM 842 N GLY A 51 2.406 -3.899 5.540 1.00 0.00 N ATOM 843 CA GLY A 51 2.014 -5.299 5.472 1.00 0.00 C ATOM 844 C GLY A 51 0.701 -5.444 4.718 1.00 0.00 C ATOM 845 O GLY A 51 -0.210 -6.154 5.139 1.00 0.00 O ATOM 0 H GLY A 51 3.328 -3.704 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.792 -5.878 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.910 -5.704 6.479 1.00 0.00 H new ATOM 849 N GLY A 52 0.586 -4.734 3.599 1.00 0.00 N ATOM 850 CA GLY A 52 -0.620 -4.801 2.812 1.00 0.00 C ATOM 851 C GLY A 52 -1.709 -3.987 3.487 1.00 0.00 C ATOM 852 O GLY A 52 -1.919 -2.841 3.096 1.00 0.00 O ATOM 0 H GLY A 52 1.308 -4.116 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.434 -4.418 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.940 -5.837 2.704 1.00 0.00 H new ATOM 856 N ASP A 53 -2.414 -4.588 4.445 1.00 0.00 N ATOM 857 CA ASP A 53 -3.669 -4.097 5.006 1.00 0.00 C ATOM 858 C ASP A 53 -3.539 -2.671 5.544 1.00 0.00 C ATOM 859 O ASP A 53 -3.337 -2.459 6.736 1.00 0.00 O ATOM 860 CB ASP A 53 -4.163 -5.065 6.094 1.00 0.00 C ATOM 861 CG ASP A 53 -4.669 -6.392 5.537 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.320 -6.357 4.471 1.00 0.00 O ATOM 863 OD2 ASP A 53 -4.387 -7.423 6.183 1.00 0.00 O ATOM 0 H ASP A 53 -2.113 -5.466 4.868 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.408 -4.057 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.350 -5.259 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.963 -4.587 6.659 1.00 0.00 H new ATOM 868 N ALA A 54 -3.663 -1.685 4.651 1.00 0.00 N ATOM 869 CA ALA A 54 -3.522 -0.279 4.952 1.00 0.00 C ATOM 870 C ALA A 54 -4.787 0.484 4.577 1.00 0.00 C ATOM 871 O ALA A 54 -4.969 1.594 5.072 1.00 0.00 O ATOM 872 CB ALA A 54 -2.307 0.246 4.195 1.00 0.00 C ATOM 0 H ALA A 54 -3.871 -1.862 3.668 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.375 -0.135 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.178 1.308 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.417 -0.298 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.456 0.104 3.125 1.00 0.00 H new ATOM 878 N THR A 55 -5.652 -0.087 3.721 1.00 0.00 N ATOM 879 CA THR A 55 -6.927 0.522 3.356 1.00 0.00 C ATOM 880 C THR A 55 -7.638 1.049 4.604 1.00 0.00 C ATOM 881 O THR A 55 -7.885 2.247 4.674 1.00 0.00 O ATOM 882 CB THR A 55 -7.830 -0.432 2.556 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.138 -1.022 1.473 1.00 0.00 O ATOM 884 CG2 THR A 55 -8.983 0.371 1.941 1.00 0.00 C ATOM 0 H THR A 55 -5.480 -0.984 3.267 1.00 0.00 H new ATOM 0 HA THR A 55 -6.711 1.361 2.695 1.00 0.00 H new ATOM 0 HB THR A 55 -8.175 -1.204 3.243 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.685 -1.737 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.629 -0.297 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.561 0.845 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.580 1.137 1.279 1.00 0.00 H new ATOM 892 N GLU A 56 -7.902 0.188 5.594 1.00 0.00 N ATOM 893 CA GLU A 56 -8.425 0.542 6.908 1.00 0.00 C ATOM 894 C GLU A 56 -7.933 1.912 7.411 1.00 0.00 C ATOM 895 O GLU A 56 -8.740 2.736 7.830 1.00 0.00 O ATOM 896 CB GLU A 56 -8.091 -0.597 7.893 1.00 0.00 C ATOM 897 CG GLU A 56 -9.266 -1.563 8.135 1.00 0.00 C ATOM 898 CD GLU A 56 -9.732 -2.329 6.900 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.058 -2.213 5.849 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.769 -3.018 7.037 1.00 0.00 O ATOM 0 H GLU A 56 -7.749 -0.815 5.491 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.507 0.653 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.240 -1.161 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.784 -0.165 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.975 -2.281 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.108 -0.996 8.532 1.00 0.00 H new ATOM 907 N ASN A 57 -6.626 2.181 7.331 1.00 0.00 N ATOM 908 CA ASN A 57 -6.032 3.408 7.852 1.00 0.00 C ATOM 909 C ASN A 57 -6.129 4.543 6.830 1.00 0.00 C ATOM 910 O ASN A 57 -6.434 5.684 7.167 1.00 0.00 O ATOM 911 CB ASN A 57 -4.559 3.148 8.182 1.00 0.00 C ATOM 912 CG ASN A 57 -4.060 3.873 9.430 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.226 3.339 10.155 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.501 5.104 9.678 1.00 0.00 N ATOM 0 H ASN A 57 -5.951 1.549 6.901 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.576 3.706 8.748 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.412 2.076 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.949 3.451 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.145 5.621 10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.194 5.531 9.064 1.00 0.00 H new ATOM 921 N PHE A 58 -5.812 4.240 5.570 1.00 0.00 N ATOM 922 CA PHE A 58 -5.835 5.191 4.468 1.00 0.00 C ATOM 923 C PHE A 58 -7.236 5.785 4.267 1.00 0.00 C ATOM 924 O PHE A 58 -7.347 6.970 3.944 1.00 0.00 O ATOM 925 CB PHE A 58 -5.292 4.508 3.201 1.00 0.00 C ATOM 926 CG PHE A 58 -5.795 5.073 1.886 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.062 4.681 1.427 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.972 5.859 1.058 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.571 5.198 0.229 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.420 6.234 -0.221 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.737 5.941 -0.620 1.00 0.00 C ATOM 0 H PHE A 58 -5.526 3.303 5.285 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.188 6.036 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.204 4.574 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.547 3.449 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.647 3.977 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.999 6.173 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.602 5.025 -0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.753 6.747 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.104 6.286 -1.575 1.00 0.00 H new ATOM 941 N GLU A 59 -8.281 4.963 4.434 1.00 0.00 N ATOM 942 CA GLU A 59 -9.688 5.321 4.274 1.00 0.00 C ATOM 943 C GLU A 59 -10.201 6.040 5.518 1.00 0.00 C ATOM 944 O GLU A 59 -11.091 6.878 5.399 1.00 0.00 O ATOM 945 CB GLU A 59 -10.565 4.075 4.039 1.00 0.00 C ATOM 946 CG GLU A 59 -10.708 3.654 2.570 1.00 0.00 C ATOM 947 CD GLU A 59 -11.499 4.675 1.755 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.728 4.734 1.969 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.868 5.376 0.933 1.00 0.00 O ATOM 0 H GLU A 59 -8.157 3.985 4.697 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.753 5.976 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.145 3.241 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.558 4.266 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.718 3.529 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.205 2.685 2.518 1.00 0.00 H new ATOM 956 N ASP A 60 -9.650 5.734 6.699 1.00 0.00 N ATOM 957 CA ASP A 60 -9.944 6.504 7.904 1.00 0.00 C ATOM 958 C ASP A 60 -9.733 7.992 7.603 1.00 0.00 C ATOM 959 O ASP A 60 -10.544 8.841 7.966 1.00 0.00 O ATOM 960 CB ASP A 60 -9.064 6.029 9.064 1.00 0.00 C ATOM 961 CG ASP A 60 -9.466 6.709 10.365 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.409 6.197 11.007 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.825 7.731 10.688 1.00 0.00 O ATOM 0 H ASP A 60 -9.001 4.960 6.841 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.981 6.353 8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.151 4.948 9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.018 6.245 8.844 1.00 0.00 H new ATOM 968 N VAL A 61 -8.671 8.277 6.842 1.00 0.00 N ATOM 969 CA VAL A 61 -8.405 9.589 6.275 1.00 0.00 C ATOM 970 C VAL A 61 -9.242 9.850 5.013 1.00 0.00 C ATOM 971 O VAL A 61 -9.838 10.918 4.891 1.00 0.00 O ATOM 972 CB VAL A 61 -6.888 9.777 6.123 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.521 11.167 5.572 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.193 9.569 7.479 1.00 0.00 C ATOM 0 H VAL A 61 -7.963 7.583 6.602 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.739 10.372 6.956 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.545 9.033 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.438 11.249 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.976 11.301 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.889 11.936 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.118 9.704 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.573 10.295 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.394 8.560 7.840 1.00 0.00 H new ATOM 984 N GLY A 62 -9.307 8.905 4.073 1.00 0.00 N ATOM 985 CA GLY A 62 -10.107 9.057 2.864 1.00 0.00 C ATOM 986 C GLY A 62 -9.399 10.015 1.913 1.00 0.00 C ATOM 987 O GLY A 62 -9.814 11.156 1.719 1.00 0.00 O ATOM 0 H GLY A 62 -8.807 8.018 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.251 8.089 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.097 9.439 3.114 1.00 0.00 H new ATOM 991 N HIS A 63 -8.290 9.543 1.343 1.00 0.00 N ATOM 992 CA HIS A 63 -7.333 10.369 0.624 1.00 0.00 C ATOM 993 C HIS A 63 -7.896 11.084 -0.613 1.00 0.00 C ATOM 994 O HIS A 63 -8.900 10.675 -1.204 1.00 0.00 O ATOM 995 CB HIS A 63 -6.178 9.487 0.175 1.00 0.00 C ATOM 996 CG HIS A 63 -5.137 9.191 1.220 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.287 8.519 2.417 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.809 9.457 1.055 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.053 8.394 2.947 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.117 8.949 2.148 1.00 0.00 N ATOM 0 H HIS A 63 -8.031 8.557 1.371 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.029 11.151 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.585 8.542 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.689 9.965 -0.673 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.161 8.183 2.822 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.369 9.975 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.841 7.912 3.890 1.00 0.00 H new ATOM 1008 N SER A 64 -7.160 12.121 -1.031 1.00 0.00 N ATOM 1009 CA SER A 64 -7.408 12.927 -2.209 1.00 0.00 C ATOM 1010 C SER A 64 -7.212 12.148 -3.506 1.00 0.00 C ATOM 1011 O SER A 64 -6.556 11.109 -3.571 1.00 0.00 O ATOM 1012 CB SER A 64 -6.416 14.090 -2.198 1.00 0.00 C ATOM 1013 OG SER A 64 -5.110 13.556 -2.083 1.00 0.00 O ATOM 0 H SER A 64 -6.332 12.428 -0.521 1.00 0.00 H new ATOM 0 HA SER A 64 -8.445 13.262 -2.176 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.508 14.677 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.627 14.762 -1.366 1.00 0.00 H new ATOM 0 HG SER A 64 -4.457 14.287 -2.076 1.00 0.00 H new ATOM 1019 N THR A 65 -7.742 12.723 -4.579 1.00 0.00 N ATOM 1020 CA THR A 65 -7.615 12.174 -5.917 1.00 0.00 C ATOM 1021 C THR A 65 -6.155 12.189 -6.376 1.00 0.00 C ATOM 1022 O THR A 65 -5.690 11.231 -6.995 1.00 0.00 O ATOM 1023 CB THR A 65 -8.540 12.941 -6.868 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.687 13.371 -6.155 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.979 12.032 -8.017 1.00 0.00 C ATOM 0 H THR A 65 -8.276 13.591 -4.541 1.00 0.00 H new ATOM 0 HA THR A 65 -7.924 11.129 -5.918 1.00 0.00 H new ATOM 0 HB THR A 65 -8.005 13.800 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.282 13.864 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.636 12.585 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.102 11.692 -8.567 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.512 11.170 -7.616 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.436 13.262 -6.032 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.001 13.397 -6.250 1.00 0.00 C ATOM 1035 C ASP A 66 -3.272 12.167 -5.700 1.00 0.00 C ATOM 1036 O ASP A 66 -2.410 11.579 -6.348 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.503 14.699 -5.592 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.882 15.640 -6.613 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.699 15.415 -6.944 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.607 16.564 -7.040 1.00 0.00 O ATOM 0 H ASP A 66 -5.851 14.079 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.789 13.455 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.335 15.198 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.769 14.461 -4.822 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.656 11.716 -4.504 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.115 10.478 -3.968 1.00 0.00 C ATOM 1047 C ALA A 67 -3.591 9.264 -4.767 1.00 0.00 C ATOM 1048 O ALA A 67 -2.798 8.373 -5.052 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.487 10.339 -2.500 1.00 0.00 C ATOM 0 H ALA A 67 -4.330 12.186 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.029 10.517 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.077 9.408 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.079 11.180 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.572 10.329 -2.399 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.882 9.182 -5.106 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.429 8.031 -5.828 1.00 0.00 C ATOM 1057 C ARG A 68 -4.732 7.786 -7.170 1.00 0.00 C ATOM 1058 O ARG A 68 -4.525 6.631 -7.559 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.935 8.187 -6.058 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.705 8.127 -4.737 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.187 8.443 -4.957 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.885 8.557 -3.667 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.119 9.055 -3.494 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.805 9.516 -4.548 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.663 9.077 -2.274 1.00 0.00 N ATOM 0 H ARG A 68 -5.570 9.904 -4.890 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.245 7.164 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.133 9.137 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.288 7.399 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.601 7.136 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.278 8.838 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.288 9.374 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.647 7.659 -5.558 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.391 8.231 -2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.389 9.488 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.743 9.895 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.140 8.716 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.601 9.455 -2.141 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.413 8.842 -7.923 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.629 8.663 -9.138 1.00 0.00 C ATOM 1081 C GLU A 69 -2.194 8.258 -8.775 1.00 0.00 C ATOM 1082 O GLU A 69 -1.678 7.279 -9.315 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.785 9.844 -10.104 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.129 11.145 -9.642 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.773 11.355 -10.308 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -0.808 10.698 -9.867 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -1.749 12.117 -11.297 1.00 0.00 O ATOM 0 H GLU A 69 -4.679 9.805 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.020 7.830 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.362 9.564 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.848 10.027 -10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.783 11.986 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.005 11.126 -8.559 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.594 8.913 -7.777 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.215 8.647 -7.390 1.00 0.00 C ATOM 1096 C LEU A 70 -0.035 7.196 -6.936 1.00 0.00 C ATOM 1097 O LEU A 70 0.982 6.568 -7.220 1.00 0.00 O ATOM 1098 CB LEU A 70 0.209 9.646 -6.309 1.00 0.00 C ATOM 1099 CG LEU A 70 1.722 9.660 -6.060 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.493 10.161 -7.288 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.023 10.576 -4.870 1.00 0.00 C ATOM 0 H LEU A 70 -2.050 9.636 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 70 0.434 8.780 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.114 10.645 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.304 9.404 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 70 2.043 8.639 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.562 10.157 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.291 9.507 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.175 11.176 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.097 10.592 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.678 11.586 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.508 10.203 -3.984 1.00 0.00 H new ATOM 1113 N SER A 71 -1.047 6.634 -6.270 1.00 0.00 N ATOM 1114 CA SER A 71 -1.100 5.220 -5.944 1.00 0.00 C ATOM 1115 C SER A 71 -0.809 4.391 -7.195 1.00 0.00 C ATOM 1116 O SER A 71 0.023 3.491 -7.158 1.00 0.00 O ATOM 1117 CB SER A 71 -2.467 4.840 -5.358 1.00 0.00 C ATOM 1118 OG SER A 71 -2.868 5.721 -4.328 1.00 0.00 O ATOM 0 H SER A 71 -1.857 7.159 -5.942 1.00 0.00 H new ATOM 0 HA SER A 71 -0.342 5.010 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.215 4.846 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.424 3.823 -4.968 1.00 0.00 H new ATOM 0 HG SER A 71 -2.972 6.625 -4.693 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.463 4.701 -8.321 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.244 3.957 -9.552 1.00 0.00 C ATOM 1126 C LYS A 72 0.230 4.003 -9.958 1.00 0.00 C ATOM 1127 O LYS A 72 0.797 2.978 -10.314 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.158 4.439 -10.692 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.152 3.355 -11.153 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.525 3.588 -10.508 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.276 4.693 -11.274 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.010 5.608 -10.375 1.00 0.00 N ATOM 0 H LYS A 72 -2.142 5.458 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.510 2.918 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.712 5.318 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.545 4.748 -11.538 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.244 3.374 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.777 2.368 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.105 2.665 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.403 3.874 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.564 5.266 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.977 4.235 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.208 6.499 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.906 5.166 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.433 5.804 -9.532 1.00 0.00 H new ATOM 1146 N THR A 73 0.879 5.159 -9.859 1.00 0.00 N ATOM 1147 CA THR A 73 2.311 5.275 -10.102 1.00 0.00 C ATOM 1148 C THR A 73 3.155 4.321 -9.230 1.00 0.00 C ATOM 1149 O THR A 73 4.283 4.006 -9.606 1.00 0.00 O ATOM 1150 CB THR A 73 2.701 6.759 -9.985 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.347 7.407 -11.190 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.179 6.999 -9.688 1.00 0.00 C ATOM 0 H THR A 73 0.428 6.039 -9.609 1.00 0.00 H new ATOM 0 HA THR A 73 2.540 4.941 -11.114 1.00 0.00 H new ATOM 0 HB THR A 73 2.160 7.165 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.587 8.356 -11.134 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.367 8.071 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.442 6.525 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.785 6.573 -10.488 1.00 0.00 H new ATOM 1160 N TYR A 74 2.634 3.826 -8.100 1.00 0.00 N ATOM 1161 CA TYR A 74 3.335 2.883 -7.230 1.00 0.00 C ATOM 1162 C TYR A 74 2.804 1.458 -7.371 1.00 0.00 C ATOM 1163 O TYR A 74 3.216 0.564 -6.630 1.00 0.00 O ATOM 1164 CB TYR A 74 3.202 3.346 -5.778 1.00 0.00 C ATOM 1165 CG TYR A 74 3.962 4.619 -5.469 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.353 4.672 -5.681 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.287 5.754 -4.984 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.038 5.892 -5.556 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.995 6.949 -4.773 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.344 7.042 -5.148 1.00 0.00 C ATOM 1171 OH TYR A 74 5.975 8.248 -5.113 1.00 0.00 O ATOM 0 H TYR A 74 1.704 4.074 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 74 4.383 2.866 -7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.147 3.500 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.557 2.553 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.894 3.774 -5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.229 5.707 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.095 5.945 -5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.501 7.797 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 74 5.619 8.782 -4.372 1.00 0.00 H new ATOM 1181 N ILE A 75 1.875 1.242 -8.301 1.00 0.00 N ATOM 1182 CA ILE A 75 1.267 -0.052 -8.536 1.00 0.00 C ATOM 1183 C ILE A 75 2.344 -1.041 -8.955 1.00 0.00 C ATOM 1184 O ILE A 75 3.009 -0.856 -9.973 1.00 0.00 O ATOM 1185 CB ILE A 75 0.125 0.096 -9.552 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -0.872 -1.061 -9.412 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.606 0.190 -11.015 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.179 -0.715 -10.120 1.00 0.00 C ATOM 0 H ILE A 75 1.524 1.975 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 75 0.816 -0.450 -7.627 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.361 1.043 -9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.448 -1.970 -9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.062 -1.262 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.255 0.293 -11.675 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.256 1.057 -11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.157 -0.714 -11.276 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.880 -1.543 -10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.608 0.182 -9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.984 -0.537 -11.178 1.00 0.00 H new ATOM 1200 N ILE A 76 2.536 -2.086 -8.157 1.00 0.00 N ATOM 1201 CA ILE A 76 3.452 -3.152 -8.514 1.00 0.00 C ATOM 1202 C ILE A 76 2.676 -4.375 -8.982 1.00 0.00 C ATOM 1203 O ILE A 76 3.159 -5.090 -9.855 1.00 0.00 O ATOM 1204 CB ILE A 76 4.404 -3.468 -7.357 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.654 -3.721 -6.040 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.411 -2.320 -7.194 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.391 -4.743 -5.187 1.00 0.00 C ATOM 0 H ILE A 76 2.068 -2.213 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 76 4.075 -2.823 -9.346 1.00 0.00 H new ATOM 0 HB ILE A 76 4.934 -4.389 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.552 -2.786 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.646 -4.077 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.089 -2.545 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.984 -2.205 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.876 -1.394 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.842 -4.907 -4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.470 -5.683 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.390 -4.372 -4.957 1.00 0.00 H new ATOM 1219 N GLY A 77 1.495 -4.613 -8.405 1.00 0.00 N ATOM 1220 CA GLY A 77 0.736 -5.839 -8.554 1.00 0.00 C ATOM 1221 C GLY A 77 -0.680 -5.609 -8.045 1.00 0.00 C ATOM 1222 O GLY A 77 -1.059 -4.471 -7.756 1.00 0.00 O ATOM 0 H GLY A 77 1.034 -3.930 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.715 -6.144 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.211 -6.646 -7.996 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.457 -6.685 -7.924 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.866 -6.626 -7.573 1.00 0.00 C ATOM 1228 C GLU A 78 -3.191 -7.637 -6.477 1.00 0.00 C ATOM 1229 O GLU A 78 -2.413 -8.551 -6.210 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.730 -6.821 -8.826 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.586 -5.634 -9.799 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.890 -5.231 -10.483 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.950 -5.354 -9.834 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -4.803 -4.689 -11.607 1.00 0.00 O ATOM 0 H GLU A 78 -1.115 -7.635 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.096 -5.640 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.440 -7.743 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.775 -6.931 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.193 -4.776 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.851 -5.890 -10.562 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.337 -7.464 -5.819 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.804 -8.447 -4.855 1.00 0.00 C ATOM 1243 C LEU A 79 -5.268 -9.697 -5.595 1.00 0.00 C ATOM 1244 O LEU A 79 -5.958 -9.599 -6.609 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.939 -7.873 -3.999 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.447 -6.878 -2.939 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.654 -6.404 -2.121 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.425 -7.526 -1.996 1.00 0.00 C ATOM 0 H LEU A 79 -4.951 -6.658 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.984 -8.709 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.661 -7.377 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.464 -8.691 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.962 -6.041 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.323 -5.695 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.373 -5.919 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.125 -7.260 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.097 -6.795 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.885 -8.374 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.566 -7.871 -2.572 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.871 -10.869 -5.093 1.00 0.00 N ATOM 1261 CA HIS A 80 -5.176 -12.153 -5.704 1.00 0.00 C ATOM 1262 C HIS A 80 -6.677 -12.292 -6.001 1.00 0.00 C ATOM 1263 O HIS A 80 -7.506 -11.969 -5.145 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.676 -13.270 -4.778 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.295 -14.536 -5.496 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.943 -15.746 -5.419 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.206 -14.698 -6.308 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.273 -16.611 -6.197 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.209 -16.018 -6.763 1.00 0.00 N ATOM 0 H HIS A 80 -4.321 -10.947 -4.238 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.665 -12.228 -6.664 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.812 -12.907 -4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.453 -13.498 -4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.476 -13.941 -6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.552 -17.644 -6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.537 -16.447 -7.399 1.00 0.00 H new ATOM 1277 N PRO A 81 -7.052 -12.778 -7.199 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.441 -12.849 -7.615 1.00 0.00 C ATOM 1279 C PRO A 81 -9.260 -13.746 -6.686 1.00 0.00 C ATOM 1280 O PRO A 81 -10.448 -13.498 -6.504 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.440 -13.327 -9.069 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.086 -14.012 -9.240 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.181 -13.301 -8.239 1.00 0.00 C ATOM 0 HA PRO A 81 -8.925 -11.874 -7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.262 -14.017 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.554 -12.493 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.150 -15.080 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.713 -13.908 -10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.447 -13.990 -7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.625 -12.497 -8.721 1.00 0.00 H new