USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 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 66 THR OG1 : rot 130:sc= -1.44! USER MOD Set 1.2: A 67 ASN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 23 GLN : amide:sc= -0.885! C(o=-8.6!,f=-12!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -5.82! C(o=-8.6!,f=-9.4!) USER MOD Set 2.3: A 64 HIS : no HD1:sc= -1.94 X(o=-8.6,f=-8.8) USER MOD Set 3.1: A 16 THR OG1 : rot -71:sc= -0.118 USER MOD Set 3.2: A 20 HIS : no HD1:sc= -3.61! C(o=-3.7!,f=-5.6!) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 8 ASN : amide:sc=0.000332 K(o=0.00033,f=-3.1!) USER MOD Single : A 1 CYS N :NH3+ -151:sc= 0.297 (180deg=0.0578) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.12 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.77! C(o=-2.8!,f=-10!) USER MOD Single : A 18 SER OG : rot 66:sc= 1.01 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc=-0.000226 X(o=-0.00023,f=-0.032) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 28 GLN : amide:sc= 0.465 K(o=0.47,f=-0.64) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0612 K(o=0.061,f=-0.63) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.461 K(o=0.46,f=-0.31) USER MOD Single : A 43 SER OG : rot 180:sc=2.06e-05 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.05) USER MOD Single : A 45 ASN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.67 K(o=-0.67,f=-6.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.28 K(o=1.3,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0.904 (180deg=0.761) USER MOD Single : A 65 THR OG1 : rot -71:sc= 0.209 USER MOD Single : A 68 SER OG : rot -55:sc= 0.282 USER MOD Single : A 69 GLN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.505 USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.0258 (180deg=-0.25) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.855 26.701 -21.110 1.00 0.00 N ATOM 56 CA CYS A 1 11.663 26.336 -19.972 1.00 0.00 C ATOM 57 C CYS A 1 10.768 25.823 -18.856 1.00 0.00 C ATOM 58 O CYS A 1 9.553 25.718 -19.030 1.00 0.00 O ATOM 59 CB CYS A 1 12.465 27.545 -19.498 1.00 0.00 C ATOM 60 SG CYS A 1 11.446 29.000 -19.083 1.00 0.00 S ATOM 0 H1 CYS A 1 11.408 26.577 -21.982 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.011 26.094 -21.146 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.563 27.695 -21.024 1.00 0.00 H new ATOM 0 HA CYS A 1 12.358 25.547 -20.258 1.00 0.00 H new ATOM 0 HB2 CYS A 1 13.047 27.260 -18.621 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.176 27.823 -20.276 1.00 0.00 H new ATOM 0 HG CYS A 1 12.216 29.971 -18.690 1.00 0.00 H new ATOM 65 N LEU A 2 11.358 25.479 -17.726 1.00 0.00 N ATOM 66 CA LEU A 2 10.583 25.026 -16.584 1.00 0.00 C ATOM 67 C LEU A 2 10.083 26.203 -15.751 1.00 0.00 C ATOM 68 O LEU A 2 10.580 27.323 -15.868 1.00 0.00 O ATOM 69 CB LEU A 2 11.431 24.091 -15.730 1.00 0.00 C ATOM 70 CG LEU A 2 10.708 23.405 -14.585 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.456 22.722 -15.101 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.633 22.408 -13.907 1.00 0.00 C ATOM 0 H LEU A 2 12.366 25.504 -17.574 1.00 0.00 H new ATOM 0 HA LEU A 2 9.709 24.488 -16.951 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.857 23.324 -16.377 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.265 24.661 -15.319 1.00 0.00 H new ATOM 0 HG LEU A 2 10.412 24.150 -13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.942 22.232 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.796 23.464 -15.550 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.729 21.979 -15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.105 21.921 -13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.951 21.657 -14.630 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.507 22.930 -13.517 1.00 0.00 H new ATOM 84 N LYS A 3 9.092 25.922 -14.916 1.00 0.00 N ATOM 85 CA LYS A 3 8.491 26.916 -14.043 1.00 0.00 C ATOM 86 C LYS A 3 8.590 26.457 -12.590 1.00 0.00 C ATOM 87 O LYS A 3 7.584 26.351 -11.886 1.00 0.00 O ATOM 88 CB LYS A 3 7.020 27.141 -14.430 1.00 0.00 C ATOM 89 CG LYS A 3 6.239 25.845 -14.612 1.00 0.00 C ATOM 90 CD LYS A 3 4.735 26.079 -14.730 1.00 0.00 C ATOM 91 CE LYS A 3 4.393 27.129 -15.776 1.00 0.00 C ATOM 92 NZ LYS A 3 2.927 27.369 -15.870 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.682 24.993 -14.826 1.00 0.00 H new ATOM 0 HA LYS A 3 9.028 27.858 -14.154 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.537 27.743 -13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.979 27.715 -15.356 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.595 25.333 -15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.435 25.185 -13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.243 25.141 -14.986 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.341 26.392 -13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.898 28.063 -15.530 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.771 26.809 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.739 28.091 -16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.446 26.484 -16.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.570 27.699 -14.951 1.00 0.00 H new ATOM 106 N GLY A 4 9.804 26.156 -12.158 1.00 0.00 N ATOM 107 CA GLY A 4 10.009 25.681 -10.806 1.00 0.00 C ATOM 108 C GLY A 4 9.627 24.223 -10.660 1.00 0.00 C ATOM 109 O GLY A 4 10.380 23.336 -11.059 1.00 0.00 O ATOM 0 H GLY A 4 10.652 26.232 -12.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.055 25.813 -10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.418 26.283 -10.115 1.00 0.00 H new ATOM 113 N THR A 5 8.450 23.969 -10.106 1.00 0.00 N ATOM 114 CA THR A 5 7.951 22.608 -9.979 1.00 0.00 C ATOM 115 C THR A 5 7.363 22.123 -11.299 1.00 0.00 C ATOM 116 O THR A 5 7.241 20.921 -11.514 1.00 0.00 O ATOM 117 CB THR A 5 6.891 22.494 -8.866 1.00 0.00 C ATOM 118 OG1 THR A 5 5.903 23.527 -9.005 1.00 0.00 O ATOM 119 CG2 THR A 5 7.542 22.580 -7.497 1.00 0.00 C ATOM 0 H THR A 5 7.824 24.686 -9.738 1.00 0.00 H new ATOM 0 HA THR A 5 8.799 21.978 -9.711 1.00 0.00 H new ATOM 0 HB THR A 5 6.402 21.524 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.236 23.440 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.777 22.498 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.261 21.768 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.056 23.536 -7.398 1.00 0.00 H new ATOM 127 N GLY A 6 7.015 23.070 -12.170 1.00 0.00 N ATOM 128 CA GLY A 6 6.576 22.753 -13.522 1.00 0.00 C ATOM 129 C GLY A 6 5.532 21.666 -13.594 1.00 0.00 C ATOM 130 O GLY A 6 5.762 20.618 -14.201 1.00 0.00 O ATOM 0 H GLY A 6 7.030 24.068 -11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.177 23.656 -13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.441 22.450 -14.111 1.00 0.00 H new ATOM 134 N GLU A 7 4.382 21.927 -12.999 1.00 0.00 N ATOM 135 CA GLU A 7 3.305 20.954 -12.964 1.00 0.00 C ATOM 136 C GLU A 7 2.715 20.764 -14.356 1.00 0.00 C ATOM 137 O GLU A 7 2.564 19.637 -14.825 1.00 0.00 O ATOM 138 CB GLU A 7 2.230 21.412 -11.987 1.00 0.00 C ATOM 139 CG GLU A 7 2.790 21.848 -10.645 1.00 0.00 C ATOM 140 CD GLU A 7 1.714 22.310 -9.690 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.056 23.329 -9.980 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.522 21.656 -8.643 1.00 0.00 O1- ATOM 0 H GLU A 7 4.169 22.808 -12.532 1.00 0.00 H new ATOM 0 HA GLU A 7 3.703 19.996 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.675 22.240 -12.429 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.520 20.600 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.337 21.019 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.506 22.656 -10.799 1.00 0.00 H new ATOM 149 N ASN A 8 2.390 21.873 -15.017 1.00 0.00 N ATOM 150 CA ASN A 8 1.830 21.818 -16.364 1.00 0.00 C ATOM 151 C ASN A 8 2.615 22.705 -17.325 1.00 0.00 C ATOM 152 O ASN A 8 2.162 22.971 -18.436 1.00 0.00 O ATOM 153 CB ASN A 8 0.357 22.242 -16.361 1.00 0.00 C ATOM 154 CG ASN A 8 0.178 23.739 -16.143 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.979 24.392 -15.462 1.00 0.00 O ATOM 156 ND2 ASN A 8 -0.873 24.292 -16.723 1.00 0.00 N ATOM 0 H ASN A 8 2.504 22.815 -14.644 1.00 0.00 H new ATOM 0 HA ASN A 8 1.902 20.785 -16.704 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.100 21.960 -17.309 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.172 21.699 -15.578 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.047 25.291 -16.617 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.510 23.719 -17.277 1.00 0.00 H new ATOM 163 N TYR A 9 3.813 23.099 -16.869 1.00 0.00 N ATOM 164 CA TYR A 9 4.708 24.067 -17.541 1.00 0.00 C ATOM 165 C TYR A 9 4.382 24.328 -19.019 1.00 0.00 C ATOM 166 O TYR A 9 3.958 25.426 -19.367 1.00 0.00 O ATOM 167 CB TYR A 9 6.183 23.643 -17.367 1.00 0.00 C ATOM 168 CG TYR A 9 6.565 22.310 -17.991 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.805 21.162 -17.785 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.697 22.206 -18.789 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.159 19.958 -18.359 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.055 21.004 -19.366 1.00 0.00 C ATOM 173 CZ TYR A 9 7.284 19.884 -19.148 1.00 0.00 C ATOM 174 OH TYR A 9 7.631 18.691 -19.736 1.00 0.00 O ATOM 0 H TYR A 9 4.203 22.745 -15.995 1.00 0.00 H new ATOM 0 HA TYR A 9 4.535 25.021 -17.044 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.818 24.419 -17.796 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.406 23.601 -16.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.922 21.215 -17.165 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.307 23.080 -18.961 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.556 19.078 -18.190 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.937 20.942 -19.986 1.00 0.00 H new ATOM 0 HH TYR A 9 8.450 18.811 -20.261 1.00 0.00 H new ATOM 184 N ARG A 10 4.641 23.355 -19.888 1.00 0.00 N ATOM 185 CA ARG A 10 4.273 23.444 -21.292 1.00 0.00 C ATOM 186 C ARG A 10 3.758 22.108 -21.799 1.00 0.00 C ATOM 187 O ARG A 10 2.733 22.037 -22.469 1.00 0.00 O ATOM 188 CB ARG A 10 5.469 23.870 -22.141 1.00 0.00 C ATOM 189 CG ARG A 10 5.865 25.311 -21.943 1.00 0.00 C ATOM 190 CD ARG A 10 6.886 25.474 -20.838 1.00 0.00 C ATOM 191 NE ARG A 10 7.424 26.833 -20.805 1.00 0.00 N ATOM 192 CZ ARG A 10 6.895 27.845 -20.110 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.761 27.684 -19.433 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.483 29.032 -20.126 1.00 0.00 N ATOM 0 H ARG A 10 5.111 22.485 -19.636 1.00 0.00 H new ATOM 0 HA ARG A 10 3.485 24.192 -21.378 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.320 23.232 -21.902 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.234 23.707 -23.193 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.273 25.706 -22.874 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.979 25.901 -21.707 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.426 25.240 -19.878 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.699 24.763 -20.984 1.00 0.00 H new ATOM 0 HE ARG A 10 8.264 27.023 -21.352 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.286 26.781 -19.441 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.367 28.463 -18.906 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.336 29.171 -20.667 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.082 29.807 -19.597 1.00 0.00 H new ATOM 208 N GLY A 11 4.482 21.049 -21.467 1.00 0.00 N ATOM 209 CA GLY A 11 4.150 19.735 -21.977 1.00 0.00 C ATOM 210 C GLY A 11 4.964 19.410 -23.208 1.00 0.00 C ATOM 211 O GLY A 11 4.440 19.370 -24.319 1.00 0.00 O ATOM 0 H GLY A 11 5.295 21.077 -20.852 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.333 18.985 -21.207 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.088 19.692 -22.217 1.00 0.00 H new ATOM 215 N ASN A 12 6.255 19.202 -23.010 1.00 0.00 N ATOM 216 CA ASN A 12 7.164 18.951 -24.118 1.00 0.00 C ATOM 217 C ASN A 12 7.940 17.652 -23.915 1.00 0.00 C ATOM 218 O ASN A 12 7.722 16.672 -24.635 1.00 0.00 O ATOM 219 CB ASN A 12 8.123 20.139 -24.317 1.00 0.00 C ATOM 220 CG ASN A 12 8.621 20.750 -23.012 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.538 20.236 -22.381 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.045 21.877 -22.615 1.00 0.00 N ATOM 0 H ASN A 12 6.698 19.202 -22.091 1.00 0.00 H new ATOM 0 HA ASN A 12 6.566 18.841 -25.022 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.980 19.808 -24.903 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.617 20.909 -24.899 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.363 22.340 -21.764 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.284 22.281 -23.161 1.00 0.00 H new ATOM 229 N VAL A 13 8.843 17.646 -22.944 1.00 0.00 N ATOM 230 CA VAL A 13 9.640 16.469 -22.641 1.00 0.00 C ATOM 231 C VAL A 13 8.773 15.330 -22.113 1.00 0.00 C ATOM 232 O VAL A 13 7.959 15.522 -21.208 1.00 0.00 O ATOM 233 CB VAL A 13 10.737 16.810 -21.614 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.523 15.574 -21.211 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.665 17.872 -22.173 1.00 0.00 C ATOM 0 H VAL A 13 9.042 18.451 -22.349 1.00 0.00 H new ATOM 0 HA VAL A 13 10.107 16.140 -23.569 1.00 0.00 H new ATOM 0 HB VAL A 13 10.252 17.199 -20.719 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.289 15.850 -20.486 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.848 14.843 -20.766 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.997 15.141 -22.092 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.436 18.105 -21.438 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.133 17.503 -23.086 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.094 18.773 -22.397 1.00 0.00 H new ATOM 245 N ALA A 14 8.951 14.156 -22.700 1.00 0.00 N ATOM 246 CA ALA A 14 8.231 12.959 -22.292 1.00 0.00 C ATOM 247 C ALA A 14 9.226 11.836 -21.998 1.00 0.00 C ATOM 248 O ALA A 14 8.952 10.650 -22.220 1.00 0.00 O ATOM 249 CB ALA A 14 7.251 12.549 -23.374 1.00 0.00 C ATOM 0 H ALA A 14 9.599 14.006 -23.473 1.00 0.00 H new ATOM 0 HA ALA A 14 7.665 13.166 -21.384 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.717 11.652 -23.060 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.538 13.356 -23.544 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.793 12.344 -24.297 1.00 0.00 H new ATOM 255 N VAL A 15 10.394 12.233 -21.513 1.00 0.00 N ATOM 256 CA VAL A 15 11.469 11.308 -21.179 1.00 0.00 C ATOM 257 C VAL A 15 12.127 11.748 -19.873 1.00 0.00 C ATOM 258 O VAL A 15 12.352 12.944 -19.657 1.00 0.00 O ATOM 259 CB VAL A 15 12.537 11.243 -22.303 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.697 10.333 -21.915 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.918 10.770 -23.610 1.00 0.00 C ATOM 0 H VAL A 15 10.624 13.211 -21.339 1.00 0.00 H new ATOM 0 HA VAL A 15 11.038 10.313 -21.068 1.00 0.00 H new ATOM 0 HB VAL A 15 12.926 12.252 -22.443 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.427 10.310 -22.724 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.170 10.713 -21.010 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.324 9.325 -21.734 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.685 10.732 -24.383 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.492 9.776 -23.472 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.132 11.462 -23.912 1.00 0.00 H new ATOM 271 N THR A 16 12.421 10.782 -19.008 1.00 0.00 N ATOM 272 CA THR A 16 13.027 11.051 -17.710 1.00 0.00 C ATOM 273 C THR A 16 14.362 11.778 -17.872 1.00 0.00 C ATOM 274 O THR A 16 14.884 11.866 -18.982 1.00 0.00 O ATOM 275 CB THR A 16 13.264 9.735 -16.941 1.00 0.00 C ATOM 276 OG1 THR A 16 14.219 8.931 -17.653 1.00 0.00 O ATOM 277 CG2 THR A 16 11.964 8.962 -16.788 1.00 0.00 C ATOM 0 H THR A 16 12.246 9.793 -19.187 1.00 0.00 H new ATOM 0 HA THR A 16 12.339 11.684 -17.149 1.00 0.00 H new ATOM 0 HB THR A 16 13.646 9.974 -15.949 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.808 8.584 -18.472 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.153 8.037 -16.243 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.244 9.567 -16.238 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.562 8.727 -17.774 1.00 0.00 H new ATOM 285 N VAL A 17 14.921 12.291 -16.784 1.00 0.00 N ATOM 286 CA VAL A 17 16.219 12.950 -16.846 1.00 0.00 C ATOM 287 C VAL A 17 17.297 11.968 -17.325 1.00 0.00 C ATOM 288 O VAL A 17 18.281 12.362 -17.957 1.00 0.00 O ATOM 289 CB VAL A 17 16.601 13.590 -15.485 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.614 12.560 -14.368 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.939 14.310 -15.576 1.00 0.00 C ATOM 0 H VAL A 17 14.500 12.264 -15.855 1.00 0.00 H new ATOM 0 HA VAL A 17 16.150 13.761 -17.571 1.00 0.00 H new ATOM 0 HB VAL A 17 15.835 14.327 -15.244 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.886 13.044 -13.430 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.624 12.114 -14.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.342 11.782 -14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.182 14.749 -14.609 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.716 13.599 -15.858 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.878 15.098 -16.327 1.00 0.00 H new ATOM 301 N SER A 18 17.085 10.686 -17.050 1.00 0.00 N ATOM 302 CA SER A 18 17.939 9.635 -17.582 1.00 0.00 C ATOM 303 C SER A 18 17.346 9.108 -18.898 1.00 0.00 C ATOM 304 O SER A 18 16.463 9.733 -19.481 1.00 0.00 O ATOM 305 CB SER A 18 18.065 8.506 -16.559 1.00 0.00 C ATOM 306 OG SER A 18 18.253 9.030 -15.254 1.00 0.00 O ATOM 0 H SER A 18 16.325 10.350 -16.459 1.00 0.00 H new ATOM 0 HA SER A 18 18.933 10.036 -17.781 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.169 7.886 -16.582 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.904 7.862 -16.822 1.00 0.00 H new ATOM 0 HG SER A 18 17.444 9.507 -14.973 1.00 0.00 H new ATOM 312 N GLY A 19 17.814 7.958 -19.360 1.00 0.00 N ATOM 313 CA GLY A 19 17.350 7.431 -20.633 1.00 0.00 C ATOM 314 C GLY A 19 16.111 6.558 -20.519 1.00 0.00 C ATOM 315 O GLY A 19 15.888 5.685 -21.356 1.00 0.00 O ATOM 0 H GLY A 19 18.504 7.380 -18.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.137 8.263 -21.304 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.152 6.850 -21.090 1.00 0.00 H new ATOM 319 N HIS A 20 15.297 6.792 -19.497 1.00 0.00 N ATOM 320 CA HIS A 20 14.084 6.003 -19.293 1.00 0.00 C ATOM 321 C HIS A 20 12.897 6.657 -20.000 1.00 0.00 C ATOM 322 O HIS A 20 12.670 7.860 -19.869 1.00 0.00 O ATOM 323 CB HIS A 20 13.767 5.838 -17.797 1.00 0.00 C ATOM 324 CG HIS A 20 14.873 5.229 -16.986 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.887 5.969 -16.425 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.120 3.942 -16.645 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.715 5.166 -15.786 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.273 3.931 -15.901 1.00 0.00 N ATOM 0 H HIS A 20 15.452 7.518 -18.798 1.00 0.00 H new ATOM 0 HA HIS A 20 14.259 5.015 -19.718 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.525 6.816 -17.381 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.876 5.219 -17.694 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.521 3.083 -16.910 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.606 5.470 -15.257 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.715 3.102 -15.503 1.00 0.00 H new ATOM 337 N THR A 21 12.158 5.864 -20.757 1.00 0.00 N ATOM 338 CA THR A 21 10.966 6.341 -21.445 1.00 0.00 C ATOM 339 C THR A 21 9.830 6.596 -20.455 1.00 0.00 C ATOM 340 O THR A 21 9.517 5.741 -19.624 1.00 0.00 O ATOM 341 CB THR A 21 10.526 5.308 -22.508 1.00 0.00 C ATOM 342 OG1 THR A 21 11.464 5.300 -23.593 1.00 0.00 O ATOM 343 CG2 THR A 21 9.120 5.585 -23.031 1.00 0.00 C ATOM 0 H THR A 21 12.364 4.877 -20.913 1.00 0.00 H new ATOM 0 HA THR A 21 11.204 7.284 -21.937 1.00 0.00 H new ATOM 0 HB THR A 21 10.506 4.329 -22.030 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.183 4.643 -24.264 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.854 4.834 -23.775 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.410 5.545 -22.205 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.090 6.574 -23.487 1.00 0.00 H new ATOM 351 N CYS A 22 9.251 7.795 -20.508 1.00 0.00 N ATOM 352 CA CYS A 22 8.106 8.109 -19.668 1.00 0.00 C ATOM 353 C CYS A 22 6.881 7.301 -20.079 1.00 0.00 C ATOM 354 O CYS A 22 6.372 7.443 -21.190 1.00 0.00 O ATOM 355 CB CYS A 22 7.774 9.596 -19.717 1.00 0.00 C ATOM 356 SG CYS A 22 8.943 10.655 -18.808 1.00 0.00 S ATOM 0 H CYS A 22 9.555 8.554 -21.118 1.00 0.00 H new ATOM 0 HA CYS A 22 8.378 7.843 -18.647 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.746 9.916 -20.759 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.774 9.747 -19.311 1.00 0.00 H new ATOM 361 N GLN A 23 6.436 6.442 -19.185 1.00 0.00 N ATOM 362 CA GLN A 23 5.179 5.731 -19.345 1.00 0.00 C ATOM 363 C GLN A 23 4.004 6.707 -19.249 1.00 0.00 C ATOM 364 O GLN A 23 4.037 7.658 -18.464 1.00 0.00 O ATOM 365 CB GLN A 23 5.077 4.661 -18.260 1.00 0.00 C ATOM 366 CG GLN A 23 3.696 4.069 -18.105 1.00 0.00 C ATOM 367 CD GLN A 23 3.277 4.007 -16.660 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.532 3.034 -15.958 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.647 5.065 -16.200 1.00 0.00 N ATOM 0 H GLN A 23 6.935 6.215 -18.325 1.00 0.00 H new ATOM 0 HA GLN A 23 5.145 5.257 -20.326 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.780 3.860 -18.487 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.384 5.094 -17.308 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.978 4.667 -18.667 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.680 3.066 -18.532 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.455 5.853 -16.818 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.350 5.098 -15.225 1.00 0.00 H new ATOM 378 N HIS A 24 2.969 6.453 -20.042 1.00 0.00 N ATOM 379 CA HIS A 24 1.805 7.338 -20.124 1.00 0.00 C ATOM 380 C HIS A 24 1.063 7.428 -18.795 1.00 0.00 C ATOM 381 O HIS A 24 0.975 6.455 -18.045 1.00 0.00 O ATOM 382 CB HIS A 24 0.841 6.845 -21.204 1.00 0.00 C ATOM 383 CG HIS A 24 1.418 6.873 -22.585 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.079 5.804 -23.143 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.435 7.852 -23.518 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.481 6.123 -24.356 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.104 7.362 -24.612 1.00 0.00 N ATOM 0 H HIS A 24 2.910 5.632 -20.645 1.00 0.00 H new ATOM 0 HA HIS A 24 2.174 8.332 -20.378 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.536 5.826 -20.968 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.059 7.460 -21.183 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.002 8.837 -23.420 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.028 5.479 -25.029 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.280 7.871 -25.478 1.00 0.00 H new ATOM 396 N TRP A 25 0.538 8.616 -18.513 1.00 0.00 N ATOM 397 CA TRP A 25 -0.249 8.855 -17.306 1.00 0.00 C ATOM 398 C TRP A 25 -1.562 8.087 -17.353 1.00 0.00 C ATOM 399 O TRP A 25 -2.074 7.650 -16.327 1.00 0.00 O ATOM 400 CB TRP A 25 -0.539 10.342 -17.130 1.00 0.00 C ATOM 401 CG TRP A 25 0.694 11.180 -17.034 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.165 12.055 -17.968 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.618 11.220 -15.943 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.319 12.641 -17.520 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.621 12.141 -16.282 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.695 10.567 -14.711 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.687 12.426 -15.438 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.754 10.850 -13.873 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.739 11.771 -14.240 1.00 0.00 C ATOM 0 H TRP A 25 0.644 9.436 -19.110 1.00 0.00 H new ATOM 0 HA TRP A 25 0.339 8.504 -16.458 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.141 10.689 -17.970 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.137 10.484 -16.230 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.697 12.256 -18.920 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.865 13.337 -18.027 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.939 9.853 -14.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.447 13.140 -15.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.823 10.351 -12.917 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.557 11.969 -13.563 1.00 0.00 H new ATOM 420 N SER A 26 -2.103 7.942 -18.550 1.00 0.00 N ATOM 421 CA SER A 26 -3.344 7.219 -18.755 1.00 0.00 C ATOM 422 C SER A 26 -3.106 5.710 -18.737 1.00 0.00 C ATOM 423 O SER A 26 -4.047 4.918 -18.811 1.00 0.00 O ATOM 424 CB SER A 26 -3.952 7.659 -20.080 1.00 0.00 C ATOM 425 OG SER A 26 -2.965 7.685 -21.098 1.00 0.00 O ATOM 0 H SER A 26 -1.695 8.321 -19.404 1.00 0.00 H new ATOM 0 HA SER A 26 -4.036 7.446 -17.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.755 6.978 -20.362 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.397 8.648 -19.972 1.00 0.00 H new ATOM 0 HG SER A 26 -3.374 7.968 -21.943 1.00 0.00 H new ATOM 431 N ALA A 27 -1.843 5.324 -18.629 1.00 0.00 N ATOM 432 CA ALA A 27 -1.463 3.927 -18.599 1.00 0.00 C ATOM 433 C ALA A 27 -1.143 3.490 -17.180 1.00 0.00 C ATOM 434 O ALA A 27 -0.277 4.068 -16.524 1.00 0.00 O ATOM 435 CB ALA A 27 -0.261 3.687 -19.495 1.00 0.00 C ATOM 0 H ALA A 27 -1.058 5.971 -18.560 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.303 3.338 -18.966 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.013 2.632 -19.462 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.509 3.965 -20.519 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.578 4.291 -19.148 1.00 0.00 H new ATOM 441 N GLN A 28 -1.863 2.494 -16.701 1.00 0.00 N ATOM 442 CA GLN A 28 -1.575 1.892 -15.406 1.00 0.00 C ATOM 443 C GLN A 28 -0.594 0.739 -15.569 1.00 0.00 C ATOM 444 O GLN A 28 -0.367 -0.050 -14.652 1.00 0.00 O ATOM 445 CB GLN A 28 -2.859 1.413 -14.739 1.00 0.00 C ATOM 446 CG GLN A 28 -3.771 2.547 -14.306 1.00 0.00 C ATOM 447 CD GLN A 28 -3.262 3.220 -13.061 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.647 2.875 -11.949 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.349 4.157 -13.239 1.00 0.00 N ATOM 0 H GLN A 28 -2.657 2.080 -17.190 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.121 2.648 -14.765 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.399 0.765 -15.430 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.604 0.809 -13.868 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.850 3.279 -15.110 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.774 2.160 -14.127 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.058 4.413 -14.183 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.935 4.625 -12.433 1.00 0.00 H new ATOM 458 N THR A 29 -0.033 0.654 -16.758 1.00 0.00 N ATOM 459 CA THR A 29 1.015 -0.300 -17.072 1.00 0.00 C ATOM 460 C THR A 29 2.111 0.425 -17.849 1.00 0.00 C ATOM 461 O THR A 29 1.802 1.249 -18.711 1.00 0.00 O ATOM 462 CB THR A 29 0.454 -1.480 -17.903 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.620 -2.110 -17.189 1.00 0.00 O ATOM 464 CG2 THR A 29 1.529 -2.515 -18.205 1.00 0.00 C ATOM 0 H THR A 29 -0.294 1.251 -17.543 1.00 0.00 H new ATOM 0 HA THR A 29 1.423 -0.712 -16.149 1.00 0.00 H new ATOM 0 HB THR A 29 0.092 -1.076 -18.849 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.973 -2.855 -17.719 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.098 -3.328 -18.790 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.335 -2.048 -18.772 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.925 -2.911 -17.270 1.00 0.00 H new ATOM 472 N PRO A 30 3.405 0.159 -17.580 1.00 0.00 N ATOM 473 CA PRO A 30 3.873 -0.836 -16.593 1.00 0.00 C ATOM 474 C PRO A 30 3.449 -0.569 -15.137 1.00 0.00 C ATOM 475 O PRO A 30 2.979 -1.477 -14.449 1.00 0.00 O ATOM 476 CB PRO A 30 5.405 -0.770 -16.708 1.00 0.00 C ATOM 477 CG PRO A 30 5.709 0.508 -17.418 1.00 0.00 C ATOM 478 CD PRO A 30 4.526 0.801 -18.284 1.00 0.00 C ATOM 0 HA PRO A 30 3.432 -1.808 -16.814 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.872 -0.790 -15.723 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.792 -1.626 -17.261 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.880 1.316 -16.707 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.615 0.414 -18.017 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.367 1.874 -18.394 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.654 0.393 -19.287 1.00 0.00 H new ATOM 486 N HIS A 31 3.604 0.667 -14.678 1.00 0.00 N ATOM 487 CA HIS A 31 3.431 0.989 -13.259 1.00 0.00 C ATOM 488 C HIS A 31 1.989 1.384 -12.918 1.00 0.00 C ATOM 489 O HIS A 31 1.410 2.268 -13.551 1.00 0.00 O ATOM 490 CB HIS A 31 4.402 2.105 -12.847 1.00 0.00 C ATOM 491 CG HIS A 31 5.820 1.641 -12.656 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.824 1.848 -13.585 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.405 0.996 -11.619 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.958 1.351 -13.123 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.731 0.828 -11.934 1.00 0.00 N ATOM 0 H HIS A 31 3.849 1.465 -15.264 1.00 0.00 H new ATOM 0 HA HIS A 31 3.656 0.084 -12.694 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.385 2.886 -13.607 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.050 2.555 -11.919 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.707 2.312 -14.486 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.918 0.673 -10.711 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.910 1.370 -13.633 1.00 0.00 H new ATOM 504 N THR A 32 1.429 0.728 -11.900 1.00 0.00 N ATOM 505 CA THR A 32 0.072 1.010 -11.426 1.00 0.00 C ATOM 506 C THR A 32 0.049 2.225 -10.492 1.00 0.00 C ATOM 507 O THR A 32 -0.043 2.099 -9.271 1.00 0.00 O ATOM 508 CB THR A 32 -0.512 -0.213 -10.695 1.00 0.00 C ATOM 509 OG1 THR A 32 0.500 -0.816 -9.874 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.050 -1.238 -11.682 1.00 0.00 C ATOM 0 H THR A 32 1.902 -0.012 -11.382 1.00 0.00 H new ATOM 0 HA THR A 32 -0.540 1.233 -12.300 1.00 0.00 H new ATOM 0 HB THR A 32 -1.339 0.126 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.124 -1.593 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.456 -2.090 -11.137 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.837 -0.785 -12.285 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.243 -1.575 -12.333 1.00 0.00 H new ATOM 518 N HIS A 33 0.146 3.398 -11.087 1.00 0.00 N ATOM 519 CA HIS A 33 0.272 4.654 -10.335 1.00 0.00 C ATOM 520 C HIS A 33 -1.079 5.321 -10.105 1.00 0.00 C ATOM 521 O HIS A 33 -1.962 5.241 -10.942 1.00 0.00 O ATOM 522 CB HIS A 33 1.184 5.616 -11.087 1.00 0.00 C ATOM 523 CG HIS A 33 0.738 5.873 -12.495 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.044 6.994 -12.881 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.889 5.131 -13.615 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.214 6.927 -14.171 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.290 5.809 -14.642 1.00 0.00 N ATOM 0 H HIS A 33 0.141 3.519 -12.100 1.00 0.00 H new ATOM 0 HA HIS A 33 0.698 4.410 -9.362 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.227 6.562 -10.548 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.196 5.211 -11.101 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.391 4.177 -13.686 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.750 7.668 -14.746 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.243 5.498 -15.612 1.00 0.00 H new ATOM 536 N ASN A 34 -1.219 6.036 -9.004 1.00 0.00 N ATOM 537 CA ASN A 34 -2.461 6.755 -8.739 1.00 0.00 C ATOM 538 C ASN A 34 -2.409 8.175 -9.294 1.00 0.00 C ATOM 539 O ASN A 34 -3.287 8.986 -9.021 1.00 0.00 O ATOM 540 CB ASN A 34 -2.770 6.792 -7.246 1.00 0.00 C ATOM 541 CG ASN A 34 -3.037 5.415 -6.666 1.00 0.00 C ATOM 542 OD1 ASN A 34 -4.164 4.924 -6.700 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.011 4.790 -6.117 1.00 0.00 N ATOM 0 H ASN A 34 -0.502 6.137 -8.285 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.260 6.214 -9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.933 7.248 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.639 7.428 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.139 3.867 -5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.091 5.230 -6.108 1.00 0.00 H new ATOM 550 N ARG A 36 -1.368 8.483 -10.061 1.00 0.00 N ATOM 551 CA ARG A 36 -1.293 9.776 -10.741 1.00 0.00 C ATOM 552 C ARG A 36 -1.766 9.647 -12.179 1.00 0.00 C ATOM 553 O ARG A 36 -0.956 9.537 -13.093 1.00 0.00 O ATOM 554 CB ARG A 36 0.127 10.364 -10.723 1.00 0.00 C ATOM 555 CG ARG A 36 0.534 11.022 -9.411 1.00 0.00 C ATOM 556 CD ARG A 36 0.815 9.999 -8.331 1.00 0.00 C ATOM 557 NE ARG A 36 0.942 10.618 -7.013 1.00 0.00 N ATOM 558 CZ ARG A 36 0.138 10.357 -5.982 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.835 9.467 -6.099 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.321 10.980 -4.830 1.00 0.00 N ATOM 0 H ARG A 36 -0.573 7.866 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.945 10.457 -10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.837 9.568 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.209 11.100 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.422 11.634 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.259 11.692 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.011 9.263 -8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.733 9.462 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 36 1.694 11.293 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.973 8.976 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.446 9.272 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.076 11.659 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.293 10.782 -4.040 1.00 0.00 H new ATOM 574 N THR A 37 -3.071 9.650 -12.365 1.00 0.00 N ATOM 575 CA THR A 37 -3.662 9.514 -13.685 1.00 0.00 C ATOM 576 C THR A 37 -4.480 10.759 -14.005 1.00 0.00 C ATOM 577 O THR A 37 -4.885 11.478 -13.096 1.00 0.00 O ATOM 578 CB THR A 37 -4.558 8.258 -13.748 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.519 8.295 -12.687 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.715 6.996 -13.623 1.00 0.00 C ATOM 0 H THR A 37 -3.750 9.746 -11.610 1.00 0.00 H new ATOM 0 HA THR A 37 -2.866 9.405 -14.422 1.00 0.00 H new ATOM 0 HB THR A 37 -5.073 8.246 -14.709 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.086 7.497 -12.732 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.362 6.120 -13.669 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.994 6.958 -14.439 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.185 7.005 -12.671 1.00 0.00 H new ATOM 588 N PRO A 38 -4.704 11.055 -15.296 1.00 0.00 N ATOM 589 CA PRO A 38 -5.467 12.237 -15.716 1.00 0.00 C ATOM 590 C PRO A 38 -6.907 12.217 -15.212 1.00 0.00 C ATOM 591 O PRO A 38 -7.613 13.221 -15.287 1.00 0.00 O ATOM 592 CB PRO A 38 -5.428 12.196 -17.248 1.00 0.00 C ATOM 593 CG PRO A 38 -4.926 10.843 -17.622 1.00 0.00 C ATOM 594 CD PRO A 38 -4.196 10.287 -16.439 1.00 0.00 C ATOM 0 HA PRO A 38 -5.037 13.149 -15.303 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.419 12.371 -17.666 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.774 12.975 -17.641 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.754 10.191 -17.902 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.264 10.906 -18.486 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.390 9.221 -16.318 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.118 10.404 -16.548 1.00 0.00 H new ATOM 602 N GLU A 39 -7.335 11.072 -14.695 1.00 0.00 N ATOM 603 CA GLU A 39 -8.652 10.950 -14.088 1.00 0.00 C ATOM 604 C GLU A 39 -8.566 11.219 -12.587 1.00 0.00 C ATOM 605 O GLU A 39 -9.570 11.488 -11.930 1.00 0.00 O ATOM 606 CB GLU A 39 -9.230 9.559 -14.340 1.00 0.00 C ATOM 607 CG GLU A 39 -9.391 9.237 -15.816 1.00 0.00 C ATOM 608 CD GLU A 39 -10.105 7.924 -16.052 1.00 0.00 C ATOM 609 OE1 GLU A 39 -9.546 6.866 -15.698 1.00 0.00 O ATOM 610 OE2 GLU A 39 -11.225 7.949 -16.609 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.786 10.212 -14.685 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.313 11.688 -14.542 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.580 8.814 -13.881 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.200 9.481 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.946 10.040 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.408 9.201 -16.285 1.00 0.00 H new ATOM 617 N ASN A 40 -7.349 11.158 -12.063 1.00 0.00 N ATOM 618 CA ASN A 40 -7.093 11.381 -10.643 1.00 0.00 C ATOM 619 C ASN A 40 -6.588 12.792 -10.400 1.00 0.00 C ATOM 620 O ASN A 40 -6.857 13.400 -9.365 1.00 0.00 O ATOM 621 CB ASN A 40 -6.066 10.373 -10.123 1.00 0.00 C ATOM 622 CG ASN A 40 -6.698 9.080 -9.641 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.753 8.667 -10.123 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.046 8.424 -8.691 1.00 0.00 N ATOM 0 H ASN A 40 -6.511 10.953 -12.608 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.033 11.247 -10.107 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.351 10.149 -10.915 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.504 10.824 -9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.416 7.543 -8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.174 8.800 -8.318 1.00 0.00 H new ATOM 631 N PHE A 41 -5.850 13.302 -11.368 1.00 0.00 N ATOM 632 CA PHE A 41 -5.304 14.648 -11.301 1.00 0.00 C ATOM 633 C PHE A 41 -5.578 15.384 -12.608 1.00 0.00 C ATOM 634 O PHE A 41 -4.646 15.753 -13.327 1.00 0.00 O ATOM 635 CB PHE A 41 -3.792 14.612 -11.040 1.00 0.00 C ATOM 636 CG PHE A 41 -3.401 14.033 -9.712 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.236 12.666 -9.557 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.182 14.859 -8.622 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.862 12.134 -8.338 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.811 14.332 -7.401 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.650 12.969 -7.258 1.00 0.00 C ATOM 0 H PHE A 41 -5.611 12.798 -12.222 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.787 15.172 -10.477 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.314 14.032 -11.829 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.400 15.627 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.402 12.009 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.303 15.927 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.736 11.067 -8.230 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.647 14.987 -6.558 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.359 12.556 -6.304 1.00 0.00 H new ATOM 651 N PRO A 42 -6.860 15.619 -12.936 1.00 0.00 N ATOM 652 CA PRO A 42 -7.241 16.256 -14.198 1.00 0.00 C ATOM 653 C PRO A 42 -6.758 17.700 -14.258 1.00 0.00 C ATOM 654 O PRO A 42 -6.516 18.253 -15.330 1.00 0.00 O ATOM 655 CB PRO A 42 -8.777 16.204 -14.196 1.00 0.00 C ATOM 656 CG PRO A 42 -9.137 15.225 -13.129 1.00 0.00 C ATOM 657 CD PRO A 42 -8.039 15.304 -12.111 1.00 0.00 C ATOM 0 HA PRO A 42 -6.799 15.755 -15.060 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.203 17.186 -13.989 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.161 15.888 -15.166 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.101 15.470 -12.683 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.221 14.217 -13.536 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.231 16.076 -11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.917 14.365 -11.572 1.00 0.00 H new ATOM 665 N SER A 43 -6.588 18.286 -13.082 1.00 0.00 N ATOM 666 CA SER A 43 -6.184 19.675 -12.955 1.00 0.00 C ATOM 667 C SER A 43 -4.678 19.836 -13.146 1.00 0.00 C ATOM 668 O SER A 43 -4.171 20.954 -13.243 1.00 0.00 O ATOM 669 CB SER A 43 -6.596 20.193 -11.575 1.00 0.00 C ATOM 670 OG SER A 43 -6.050 19.384 -10.541 1.00 0.00 O ATOM 0 H SER A 43 -6.727 17.811 -12.190 1.00 0.00 H new ATOM 0 HA SER A 43 -6.680 20.254 -13.734 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.257 21.222 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.683 20.204 -11.497 1.00 0.00 H new ATOM 0 HG SER A 43 -6.326 19.737 -9.669 1.00 0.00 H new ATOM 676 N LYS A 44 -3.965 18.720 -13.222 1.00 0.00 N ATOM 677 CA LYS A 44 -2.513 18.764 -13.249 1.00 0.00 C ATOM 678 C LYS A 44 -1.978 18.550 -14.660 1.00 0.00 C ATOM 679 O LYS A 44 -0.773 18.619 -14.895 1.00 0.00 O ATOM 680 CB LYS A 44 -1.927 17.720 -12.303 1.00 0.00 C ATOM 681 CG LYS A 44 -0.475 17.984 -11.949 1.00 0.00 C ATOM 682 CD LYS A 44 -0.326 19.209 -11.058 1.00 0.00 C ATOM 683 CE LYS A 44 -0.861 18.950 -9.657 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.638 20.102 -8.744 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.365 17.783 -13.266 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.206 19.756 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.519 17.695 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.009 16.735 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.060 17.113 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.102 18.126 -12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.725 19.492 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.859 20.050 -11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.928 18.735 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.378 18.064 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.926 19.841 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.370 20.357 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.202 20.914 -9.066 1.00 0.00 H new ATOM 698 N ASN A 45 -2.893 18.277 -15.592 1.00 0.00 N ATOM 699 CA ASN A 45 -2.555 18.150 -17.013 1.00 0.00 C ATOM 700 C ASN A 45 -1.741 16.893 -17.301 1.00 0.00 C ATOM 701 O ASN A 45 -0.690 16.959 -17.921 1.00 0.00 O ATOM 702 CB ASN A 45 -1.798 19.395 -17.506 1.00 0.00 C ATOM 703 CG ASN A 45 -2.724 20.544 -17.860 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.430 21.336 -18.756 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.844 20.653 -17.155 1.00 0.00 N ATOM 0 H ASN A 45 -3.882 18.138 -15.387 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.496 18.065 -17.557 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.101 19.721 -16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.204 19.131 -18.381 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.496 21.413 -17.348 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.052 19.977 -16.420 1.00 0.00 H new ATOM 712 N LEU A 46 -2.252 15.742 -16.888 1.00 0.00 N ATOM 713 CA LEU A 46 -1.575 14.467 -17.133 1.00 0.00 C ATOM 714 C LEU A 46 -1.800 14.005 -18.568 1.00 0.00 C ATOM 715 O LEU A 46 -2.478 13.011 -18.829 1.00 0.00 O ATOM 716 CB LEU A 46 -2.060 13.415 -16.130 1.00 0.00 C ATOM 717 CG LEU A 46 -1.161 13.210 -14.898 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.253 14.409 -14.663 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.997 12.949 -13.656 1.00 0.00 C ATOM 0 H LEU A 46 -3.133 15.660 -16.381 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.503 14.605 -16.995 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.056 13.696 -15.788 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.158 12.462 -16.649 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.536 12.339 -15.097 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.367 14.229 -13.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.385 14.558 -15.534 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.861 15.299 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.340 12.807 -12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.653 13.800 -13.474 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.599 12.052 -13.804 1.00 0.00 H new ATOM 731 N ASP A 47 -1.204 14.750 -19.486 1.00 0.00 N ATOM 732 CA ASP A 47 -1.343 14.508 -20.914 1.00 0.00 C ATOM 733 C ASP A 47 -0.267 13.560 -21.423 1.00 0.00 C ATOM 734 O ASP A 47 0.926 13.778 -21.182 1.00 0.00 O ATOM 735 CB ASP A 47 -1.259 15.834 -21.674 1.00 0.00 C ATOM 736 CG ASP A 47 -2.480 16.701 -21.459 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.530 16.416 -22.069 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -2.400 17.672 -20.679 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.606 15.545 -19.260 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.314 14.044 -21.084 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.370 16.377 -21.354 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.143 15.632 -22.739 1.00 0.00 H new ATOM 743 N GLU A 48 -0.705 12.519 -22.129 1.00 0.00 N ATOM 744 CA GLU A 48 0.188 11.540 -22.742 1.00 0.00 C ATOM 745 C GLU A 48 1.140 10.928 -21.728 1.00 0.00 C ATOM 746 O GLU A 48 0.745 10.132 -20.877 1.00 0.00 O ATOM 747 CB GLU A 48 1.004 12.161 -23.886 1.00 0.00 C ATOM 748 CG GLU A 48 0.253 12.332 -25.197 1.00 0.00 C ATOM 749 CD GLU A 48 -1.065 13.062 -25.044 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.056 14.305 -24.989 1.00 0.00 O ATOM 751 OE2 GLU A 48 -2.115 12.388 -24.976 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.694 12.331 -22.292 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.451 10.753 -23.143 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.367 13.137 -23.564 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.880 11.538 -24.066 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.883 12.878 -25.899 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.068 11.350 -25.632 1.00 0.00 H new ATOM 758 N ASN A 49 2.397 11.316 -21.836 1.00 0.00 N ATOM 759 CA ASN A 49 3.443 10.826 -20.958 1.00 0.00 C ATOM 760 C ASN A 49 4.417 11.948 -20.644 1.00 0.00 C ATOM 761 O ASN A 49 5.510 11.716 -20.135 1.00 0.00 O ATOM 762 CB ASN A 49 4.177 9.642 -21.599 1.00 0.00 C ATOM 763 CG ASN A 49 4.851 9.982 -22.921 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.373 10.817 -23.693 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.964 9.321 -23.199 1.00 0.00 N ATOM 0 H ASN A 49 2.722 11.982 -22.537 1.00 0.00 H new ATOM 0 HA ASN A 49 2.989 10.480 -20.029 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.929 9.272 -20.902 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.467 8.831 -21.761 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.455 9.495 -24.076 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.330 8.637 -22.536 1.00 0.00 H new ATOM 772 N TYR A 50 3.998 13.167 -20.960 1.00 0.00 N ATOM 773 CA TYR A 50 4.810 14.357 -20.725 1.00 0.00 C ATOM 774 C TYR A 50 5.166 14.473 -19.255 1.00 0.00 C ATOM 775 O TYR A 50 4.343 14.174 -18.392 1.00 0.00 O ATOM 776 CB TYR A 50 4.052 15.615 -21.145 1.00 0.00 C ATOM 777 CG TYR A 50 3.455 15.558 -22.537 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.919 14.653 -23.483 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.429 16.421 -22.904 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.376 14.609 -24.757 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.879 16.381 -24.170 1.00 0.00 C ATOM 782 CZ TYR A 50 2.356 15.474 -25.094 1.00 0.00 C ATOM 783 OH TYR A 50 1.823 15.444 -26.365 1.00 0.00 O ATOM 0 H TYR A 50 3.091 13.359 -21.384 1.00 0.00 H new ATOM 0 HA TYR A 50 5.720 14.263 -21.318 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.251 15.797 -20.428 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.730 16.467 -21.089 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.716 13.973 -23.221 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.055 17.136 -22.186 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.749 13.901 -25.482 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.079 17.056 -24.436 1.00 0.00 H new ATOM 0 HH TYR A 50 1.113 16.116 -26.438 1.00 0.00 H new ATOM 793 N CYS A 51 6.384 14.916 -18.977 1.00 0.00 N ATOM 794 CA CYS A 51 6.846 15.083 -17.604 1.00 0.00 C ATOM 795 C CYS A 51 6.025 16.132 -16.860 1.00 0.00 C ATOM 796 O CYS A 51 6.331 17.323 -16.900 1.00 0.00 O ATOM 797 CB CYS A 51 8.315 15.486 -17.582 1.00 0.00 C ATOM 798 SG CYS A 51 9.453 14.246 -18.269 1.00 0.00 S ATOM 0 H CYS A 51 7.073 15.167 -19.686 1.00 0.00 H new ATOM 0 HA CYS A 51 6.721 14.124 -17.101 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.431 16.415 -18.140 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.605 15.695 -16.552 1.00 0.00 H new ATOM 803 N ARG A 52 4.969 15.682 -16.203 1.00 0.00 N ATOM 804 CA ARG A 52 4.135 16.552 -15.393 1.00 0.00 C ATOM 805 C ARG A 52 4.564 16.474 -13.936 1.00 0.00 C ATOM 806 O ARG A 52 5.512 15.770 -13.597 1.00 0.00 O ATOM 807 CB ARG A 52 2.670 16.149 -15.525 1.00 0.00 C ATOM 808 CG ARG A 52 2.141 16.226 -16.949 1.00 0.00 C ATOM 809 CD ARG A 52 2.283 17.622 -17.547 1.00 0.00 C ATOM 810 NE ARG A 52 1.709 17.682 -18.894 1.00 0.00 N ATOM 811 CZ ARG A 52 1.555 18.793 -19.610 1.00 0.00 C ATOM 812 NH1 ARG A 52 1.936 19.966 -19.122 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.993 18.727 -20.811 1.00 0.00 N ATOM 0 H ARG A 52 4.667 14.708 -16.216 1.00 0.00 H new ATOM 0 HA ARG A 52 4.252 17.577 -15.745 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.548 15.131 -15.156 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.066 16.794 -14.887 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.677 15.510 -17.572 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.091 15.934 -16.960 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.786 18.348 -16.904 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.337 17.899 -17.585 1.00 0.00 H new ATOM 0 HE ARG A 52 1.404 16.805 -19.315 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.350 20.021 -18.192 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.815 20.813 -19.677 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.682 17.828 -21.180 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.872 19.575 -21.365 1.00 0.00 H new ATOM 827 N ASN A 53 3.868 17.188 -13.074 1.00 0.00 N ATOM 828 CA ASN A 53 4.143 17.106 -11.645 1.00 0.00 C ATOM 829 C ASN A 53 2.839 16.970 -10.848 1.00 0.00 C ATOM 830 O ASN A 53 2.439 17.882 -10.126 1.00 0.00 O ATOM 831 CB ASN A 53 4.921 18.341 -11.184 1.00 0.00 C ATOM 832 CG ASN A 53 5.456 18.199 -9.772 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.070 17.289 -9.037 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.333 19.109 -9.378 1.00 0.00 N ATOM 0 H ASN A 53 3.115 17.826 -13.330 1.00 0.00 H new ATOM 0 HA ASN A 53 4.750 16.219 -11.462 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.752 18.519 -11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.272 19.215 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.716 19.073 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.626 19.846 -10.019 1.00 0.00 H new ATOM 841 N PRO A 54 2.146 15.825 -10.985 1.00 0.00 N ATOM 842 CA PRO A 54 0.887 15.572 -10.271 1.00 0.00 C ATOM 843 C PRO A 54 1.069 15.339 -8.770 1.00 0.00 C ATOM 844 O PRO A 54 0.299 15.853 -7.962 1.00 0.00 O ATOM 845 CB PRO A 54 0.332 14.317 -10.948 1.00 0.00 C ATOM 846 CG PRO A 54 1.506 13.644 -11.574 1.00 0.00 C ATOM 847 CD PRO A 54 2.506 14.720 -11.891 1.00 0.00 C ATOM 0 HA PRO A 54 0.225 16.436 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.154 13.663 -10.223 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.417 14.575 -11.697 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.935 12.905 -10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.210 13.113 -12.479 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.527 14.379 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.445 15.025 -12.936 1.00 0.00 H new ATOM 855 N ASP A 55 2.086 14.566 -8.406 1.00 0.00 N ATOM 856 CA ASP A 55 2.335 14.221 -7.001 1.00 0.00 C ATOM 857 C ASP A 55 2.859 15.419 -6.203 1.00 0.00 C ATOM 858 O ASP A 55 2.854 15.411 -4.974 1.00 0.00 O ATOM 859 CB ASP A 55 3.327 13.053 -6.916 1.00 0.00 C ATOM 860 CG ASP A 55 3.516 12.514 -5.508 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.516 12.373 -4.781 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 4.664 12.204 -5.139 1.00 0.00 O1- ATOM 0 H ASP A 55 2.755 14.163 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 55 1.384 13.924 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.980 12.246 -7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.292 13.379 -7.304 1.00 0.00 H new ATOM 867 N GLY A 56 3.305 16.452 -6.913 1.00 0.00 N ATOM 868 CA GLY A 56 3.791 17.656 -6.259 1.00 0.00 C ATOM 869 C GLY A 56 5.203 17.506 -5.739 1.00 0.00 C ATOM 870 O GLY A 56 5.458 17.663 -4.546 1.00 0.00 O ATOM 0 H GLY A 56 3.339 16.477 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.753 18.488 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.128 17.908 -5.432 1.00 0.00 H new ATOM 874 N LYS A 57 6.121 17.193 -6.637 1.00 0.00 N ATOM 875 CA LYS A 57 7.524 17.062 -6.292 1.00 0.00 C ATOM 876 C LYS A 57 8.239 18.381 -6.560 1.00 0.00 C ATOM 877 O LYS A 57 7.587 19.409 -6.740 1.00 0.00 O ATOM 878 CB LYS A 57 8.171 15.932 -7.101 1.00 0.00 C ATOM 879 CG LYS A 57 7.426 14.598 -7.052 1.00 0.00 C ATOM 880 CD LYS A 57 7.521 13.899 -5.698 1.00 0.00 C ATOM 881 CE LYS A 57 6.633 14.553 -4.650 1.00 0.00 C ATOM 882 NZ LYS A 57 6.386 13.657 -3.490 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.915 17.023 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 57 7.609 16.816 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.251 16.249 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.186 15.778 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.376 14.768 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.826 13.938 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.237 12.853 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.556 13.913 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.101 15.474 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.681 14.830 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.985 14.208 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.717 12.910 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.283 13.225 -3.188 1.00 0.00 H new ATOM 896 N ARG A 59 9.560 18.360 -6.616 1.00 0.00 N ATOM 897 CA ARG A 59 10.327 19.585 -6.813 1.00 0.00 C ATOM 898 C ARG A 59 10.359 19.993 -8.285 1.00 0.00 C ATOM 899 O ARG A 59 10.555 21.166 -8.611 1.00 0.00 O ATOM 900 CB ARG A 59 11.753 19.396 -6.293 1.00 0.00 C ATOM 901 CG ARG A 59 12.550 18.351 -7.058 1.00 0.00 C ATOM 902 CD ARG A 59 13.896 18.087 -6.402 1.00 0.00 C ATOM 903 NE ARG A 59 13.771 17.356 -5.137 1.00 0.00 N ATOM 904 CZ ARG A 59 14.096 17.861 -3.945 1.00 0.00 C ATOM 905 NH1 ARG A 59 14.461 19.133 -3.831 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 14.025 17.093 -2.863 1.00 0.00 N ATOM 0 H ARG A 59 10.124 17.515 -6.529 1.00 0.00 H new ATOM 0 HA ARG A 59 9.838 20.382 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.278 20.350 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.712 19.111 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.981 17.423 -7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.703 18.688 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.524 17.517 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.401 19.036 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 59 13.413 16.401 -5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.494 19.730 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.708 19.513 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.723 16.122 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.272 17.474 -1.950 1.00 0.00 H new ATOM 920 N ALA A 60 10.151 19.026 -9.164 1.00 0.00 N ATOM 921 CA ALA A 60 10.266 19.254 -10.594 1.00 0.00 C ATOM 922 C ALA A 60 9.410 18.252 -11.359 1.00 0.00 C ATOM 923 O ALA A 60 8.902 17.303 -10.759 1.00 0.00 O ATOM 924 CB ALA A 60 11.726 19.149 -11.016 1.00 0.00 C ATOM 0 H ALA A 60 9.900 18.071 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 60 9.906 20.256 -10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.808 19.321 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.313 19.897 -10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.103 18.154 -10.778 1.00 0.00 H new ATOM 930 N PRO A 61 9.217 18.460 -12.676 1.00 0.00 N ATOM 931 CA PRO A 61 8.507 17.508 -13.533 1.00 0.00 C ATOM 932 C PRO A 61 9.060 16.103 -13.398 1.00 0.00 C ATOM 933 O PRO A 61 10.277 15.903 -13.319 1.00 0.00 O ATOM 934 CB PRO A 61 8.767 18.037 -14.941 1.00 0.00 C ATOM 935 CG PRO A 61 8.955 19.490 -14.756 1.00 0.00 C ATOM 936 CD PRO A 61 9.651 19.646 -13.434 1.00 0.00 C ATOM 0 HA PRO A 61 7.450 17.436 -13.276 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.650 17.575 -15.383 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.930 17.826 -15.606 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.551 19.913 -15.564 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.998 20.012 -14.758 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.734 19.673 -13.551 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.361 20.570 -12.934 1.00 0.00 H new ATOM 944 N TRP A 62 8.170 15.138 -13.375 1.00 0.00 N ATOM 945 CA TRP A 62 8.561 13.760 -13.219 1.00 0.00 C ATOM 946 C TRP A 62 7.593 12.860 -13.968 1.00 0.00 C ATOM 947 O TRP A 62 6.539 13.309 -14.418 1.00 0.00 O ATOM 948 CB TRP A 62 8.610 13.394 -11.732 1.00 0.00 C ATOM 949 CG TRP A 62 7.277 13.425 -11.043 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.680 14.491 -10.434 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.387 12.322 -10.877 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.468 14.112 -9.899 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.266 12.780 -10.160 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.435 10.989 -11.274 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.204 11.935 -9.828 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.388 10.162 -10.946 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.285 10.635 -10.230 1.00 0.00 C ATOM 0 H TRP A 62 7.165 15.286 -13.463 1.00 0.00 H new ATOM 0 HA TRP A 62 9.557 13.618 -13.639 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.035 12.396 -11.630 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.285 14.082 -11.223 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.097 15.486 -10.379 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.826 14.722 -9.392 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.280 10.611 -11.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.351 12.298 -9.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.418 9.125 -11.248 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.480 9.956 -9.990 1.00 0.00 H new ATOM 968 N CYS A 63 7.945 11.598 -14.111 1.00 0.00 N ATOM 969 CA CYS A 63 7.075 10.650 -14.778 1.00 0.00 C ATOM 970 C CYS A 63 7.381 9.235 -14.307 1.00 0.00 C ATOM 971 O CYS A 63 8.285 9.025 -13.501 1.00 0.00 O ATOM 972 CB CYS A 63 7.255 10.755 -16.292 1.00 0.00 C ATOM 973 SG CYS A 63 8.791 9.993 -16.900 1.00 0.00 S ATOM 0 H CYS A 63 8.825 11.206 -13.775 1.00 0.00 H new ATOM 0 HA CYS A 63 6.040 10.883 -14.529 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.405 10.281 -16.784 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.243 11.807 -16.578 1.00 0.00 H new ATOM 978 N HIS A 64 6.622 8.268 -14.799 1.00 0.00 N ATOM 979 CA HIS A 64 6.831 6.878 -14.431 1.00 0.00 C ATOM 980 C HIS A 64 7.618 6.189 -15.523 1.00 0.00 C ATOM 981 O HIS A 64 7.244 6.254 -16.685 1.00 0.00 O ATOM 982 CB HIS A 64 5.489 6.175 -14.199 1.00 0.00 C ATOM 983 CG HIS A 64 4.736 6.745 -13.041 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.744 7.692 -13.182 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.849 6.514 -11.713 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.281 8.018 -11.991 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.934 7.318 -11.082 1.00 0.00 N ATOM 0 H HIS A 64 5.856 8.421 -15.454 1.00 0.00 H new ATOM 0 HA HIS A 64 7.395 6.830 -13.500 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.880 6.256 -15.099 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.664 5.113 -14.027 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.532 5.825 -11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.499 8.736 -11.793 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.783 7.367 -10.074 1.00 0.00 H new ATOM 996 N THR A 65 8.710 5.556 -15.155 1.00 0.00 N ATOM 997 CA THR A 65 9.593 4.952 -16.132 1.00 0.00 C ATOM 998 C THR A 65 8.998 3.646 -16.652 1.00 0.00 C ATOM 999 O THR A 65 8.371 2.892 -15.904 1.00 0.00 O ATOM 1000 CB THR A 65 10.980 4.679 -15.515 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.883 3.627 -14.555 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.528 5.929 -14.838 1.00 0.00 C ATOM 0 H THR A 65 9.009 5.445 -14.186 1.00 0.00 H new ATOM 0 HA THR A 65 9.706 5.649 -16.962 1.00 0.00 H new ATOM 0 HB THR A 65 11.659 4.388 -16.316 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.400 3.948 -13.765 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.507 5.712 -14.410 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.622 6.729 -15.572 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.847 6.242 -14.046 1.00 0.00 H new ATOM 1010 N THR A 66 9.159 3.408 -17.946 1.00 0.00 N ATOM 1011 CA THR A 66 8.743 2.153 -18.560 1.00 0.00 C ATOM 1012 C THR A 66 9.700 1.015 -18.205 1.00 0.00 C ATOM 1013 O THR A 66 9.463 -0.147 -18.546 1.00 0.00 O ATOM 1014 CB THR A 66 8.667 2.294 -20.089 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.891 2.848 -20.587 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.498 3.178 -20.485 1.00 0.00 C ATOM 0 H THR A 66 9.578 4.073 -18.596 1.00 0.00 H new ATOM 0 HA THR A 66 7.754 1.914 -18.169 1.00 0.00 H new ATOM 0 HB THR A 66 8.516 1.306 -20.524 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.223 2.297 -21.326 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.460 3.266 -21.571 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.569 2.736 -20.124 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.624 4.167 -20.045 1.00 0.00 H new ATOM 1024 N ASN A 67 10.778 1.359 -17.512 1.00 0.00 N ATOM 1025 CA ASN A 67 11.782 0.384 -17.112 1.00 0.00 C ATOM 1026 C ASN A 67 11.706 0.165 -15.615 1.00 0.00 C ATOM 1027 O ASN A 67 12.042 1.055 -14.840 1.00 0.00 O ATOM 1028 CB ASN A 67 13.187 0.857 -17.493 1.00 0.00 C ATOM 1029 CG ASN A 67 13.354 1.040 -18.988 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.722 0.110 -19.701 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.089 2.246 -19.472 1.00 0.00 N ATOM 0 H ASN A 67 10.979 2.313 -17.214 1.00 0.00 H new ATOM 0 HA ASN A 67 11.582 -0.552 -17.633 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.398 1.800 -16.989 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.920 0.134 -17.135 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.188 2.428 -20.471 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.786 2.992 -18.846 1.00 0.00 H new ATOM 1038 N SER A 68 11.292 -1.024 -15.209 1.00 0.00 N ATOM 1039 CA SER A 68 11.053 -1.318 -13.803 1.00 0.00 C ATOM 1040 C SER A 68 12.367 -1.532 -13.042 1.00 0.00 C ATOM 1041 O SER A 68 12.451 -2.344 -12.116 1.00 0.00 O ATOM 1042 CB SER A 68 10.143 -2.539 -13.680 1.00 0.00 C ATOM 1043 OG SER A 68 9.656 -2.693 -12.357 1.00 0.00 O ATOM 0 H SER A 68 11.113 -1.807 -15.837 1.00 0.00 H new ATOM 0 HA SER A 68 10.557 -0.459 -13.350 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.304 -2.439 -14.368 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.692 -3.434 -13.973 1.00 0.00 H new ATOM 0 HG SER A 68 10.410 -2.720 -11.732 1.00 0.00 H new ATOM 1049 N GLN A 69 13.394 -0.807 -13.452 1.00 0.00 N ATOM 1050 CA GLN A 69 14.626 -0.720 -12.695 1.00 0.00 C ATOM 1051 C GLN A 69 14.438 0.354 -11.639 1.00 0.00 C ATOM 1052 O GLN A 69 15.033 0.329 -10.564 1.00 0.00 O ATOM 1053 CB GLN A 69 15.789 -0.336 -13.607 1.00 0.00 C ATOM 1054 CG GLN A 69 15.898 -1.175 -14.869 1.00 0.00 C ATOM 1055 CD GLN A 69 17.094 -0.777 -15.712 1.00 0.00 C ATOM 1056 OE1 GLN A 69 18.194 -1.295 -15.531 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.886 0.142 -16.639 1.00 0.00 N ATOM 0 H GLN A 69 13.395 -0.265 -14.316 1.00 0.00 H new ATOM 0 HA GLN A 69 14.854 -1.684 -12.240 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.683 0.712 -13.889 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.719 -0.423 -13.046 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.979 -2.228 -14.599 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.987 -1.066 -15.457 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.957 0.547 -16.756 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.654 0.446 -17.237 1.00 0.00 H new ATOM 1066 N VAL A 70 13.579 1.296 -11.990 1.00 0.00 N ATOM 1067 CA VAL A 70 13.240 2.424 -11.159 1.00 0.00 C ATOM 1068 C VAL A 70 11.731 2.654 -11.243 1.00 0.00 C ATOM 1069 O VAL A 70 11.097 2.212 -12.199 1.00 0.00 O ATOM 1070 CB VAL A 70 14.023 3.672 -11.639 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.814 3.908 -13.126 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.657 4.916 -10.845 1.00 0.00 C ATOM 0 H VAL A 70 13.089 1.291 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 70 13.512 2.233 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 70 15.080 3.471 -11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.374 4.790 -13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.164 3.040 -13.685 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.754 4.064 -13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.230 5.766 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.592 5.119 -10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.886 4.756 -9.792 1.00 0.00 H new ATOM 1082 N ARG A 71 11.144 3.288 -10.243 1.00 0.00 N ATOM 1083 CA ARG A 71 9.728 3.611 -10.299 1.00 0.00 C ATOM 1084 C ARG A 71 9.507 4.846 -11.164 1.00 0.00 C ATOM 1085 O ARG A 71 9.468 4.773 -12.396 1.00 0.00 O ATOM 1086 CB ARG A 71 9.158 3.872 -8.902 1.00 0.00 C ATOM 1087 CG ARG A 71 9.283 2.713 -7.940 1.00 0.00 C ATOM 1088 CD ARG A 71 8.679 3.072 -6.595 1.00 0.00 C ATOM 1089 NE ARG A 71 9.143 4.376 -6.115 1.00 0.00 N ATOM 1090 CZ ARG A 71 10.116 4.529 -5.214 1.00 0.00 C ATOM 1091 NH1 ARG A 71 10.758 3.470 -4.739 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 10.445 5.733 -4.780 1.00 0.00 N ATOM 0 H ARG A 71 11.619 3.587 -9.391 1.00 0.00 H new ATOM 0 HA ARG A 71 9.212 2.754 -10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.664 4.737 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.104 4.134 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.780 1.837 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.333 2.448 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.592 3.082 -6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.937 2.304 -5.865 1.00 0.00 H new ATOM 0 HE ARG A 71 8.698 5.214 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.509 2.535 -5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.501 3.590 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.954 6.554 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.190 5.841 -4.091 1.00 0.00 H new ATOM 1106 N TRP A 72 9.339 5.973 -10.498 1.00 0.00 N ATOM 1107 CA TRP A 72 9.216 7.252 -11.154 1.00 0.00 C ATOM 1108 C TRP A 72 10.581 7.928 -11.237 1.00 0.00 C ATOM 1109 O TRP A 72 11.497 7.572 -10.495 1.00 0.00 O ATOM 1110 CB TRP A 72 8.212 8.124 -10.396 1.00 0.00 C ATOM 1111 CG TRP A 72 8.650 8.525 -9.019 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.644 7.762 -7.883 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.149 9.810 -8.634 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.091 8.503 -6.822 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.413 9.759 -7.255 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.396 10.999 -9.324 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 9.910 10.850 -6.550 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 9.890 12.082 -8.623 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.143 12.000 -7.251 1.00 0.00 C ATOM 0 H TRP A 72 9.284 6.022 -9.481 1.00 0.00 H new ATOM 0 HA TRP A 72 8.848 7.109 -12.170 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.020 9.025 -10.979 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.267 7.586 -10.320 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.333 6.729 -7.831 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.171 8.171 -5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.205 11.070 -10.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.104 10.791 -5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.084 13.008 -9.144 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.531 12.865 -6.733 1.00 0.00 H new ATOM 1130 N GLU A 73 10.716 8.901 -12.124 1.00 0.00 N ATOM 1131 CA GLU A 73 11.959 9.641 -12.247 1.00 0.00 C ATOM 1132 C GLU A 73 11.662 11.087 -12.587 1.00 0.00 C ATOM 1133 O GLU A 73 10.620 11.392 -13.166 1.00 0.00 O ATOM 1134 CB GLU A 73 12.858 9.050 -13.328 1.00 0.00 C ATOM 1135 CG GLU A 73 14.336 9.144 -12.985 1.00 0.00 C ATOM 1136 CD GLU A 73 15.237 8.717 -14.120 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.564 7.519 -14.206 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.649 9.584 -14.917 1.00 0.00 O1- ATOM 0 H GLU A 73 9.981 9.195 -12.767 1.00 0.00 H new ATOM 0 HA GLU A 73 12.480 9.576 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.592 8.004 -13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.675 9.568 -14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.574 10.171 -12.707 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.541 8.522 -12.113 1.00 0.00 H new ATOM 1145 N TYR A 74 12.576 11.966 -12.208 1.00 0.00 N ATOM 1146 CA TYR A 74 12.466 13.380 -12.532 1.00 0.00 C ATOM 1147 C TYR A 74 12.855 13.629 -13.979 1.00 0.00 C ATOM 1148 O TYR A 74 13.402 12.754 -14.644 1.00 0.00 O ATOM 1149 CB TYR A 74 13.373 14.218 -11.629 1.00 0.00 C ATOM 1150 CG TYR A 74 12.843 14.420 -10.232 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.695 15.171 -10.015 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.489 13.871 -9.131 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.206 15.368 -8.740 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.005 14.065 -7.853 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.864 14.816 -7.664 1.00 0.00 C ATOM 1156 OH TYR A 74 11.374 15.011 -6.393 1.00 0.00 O ATOM 0 H TYR A 74 13.409 11.723 -11.671 1.00 0.00 H new ATOM 0 HA TYR A 74 11.428 13.672 -12.375 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.350 13.738 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.526 15.193 -12.092 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.178 15.607 -10.857 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.383 13.284 -9.277 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.311 15.953 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.517 13.631 -7.006 1.00 0.00 H new ATOM 0 HH TYR A 74 11.952 14.556 -5.746 1.00 0.00 H new ATOM 1166 N CYS A 75 12.576 14.828 -14.451 1.00 0.00 N ATOM 1167 CA CYS A 75 12.993 15.244 -15.781 1.00 0.00 C ATOM 1168 C CYS A 75 13.661 16.607 -15.697 1.00 0.00 C ATOM 1169 O CYS A 75 13.142 17.517 -15.051 1.00 0.00 O ATOM 1170 CB CYS A 75 11.797 15.329 -16.728 1.00 0.00 C ATOM 1171 SG CYS A 75 10.703 13.874 -16.716 1.00 0.00 S ATOM 0 H CYS A 75 12.059 15.537 -13.931 1.00 0.00 H new ATOM 0 HA CYS A 75 13.693 14.504 -16.169 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.209 16.209 -16.469 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.166 15.479 -17.743 1.00 0.00 H new ATOM 1176 N LYS A 76 14.801 16.761 -16.349 1.00 0.00 N ATOM 1177 CA LYS A 76 15.518 18.023 -16.299 1.00 0.00 C ATOM 1178 C LYS A 76 15.051 18.940 -17.419 1.00 0.00 C ATOM 1179 O LYS A 76 15.597 18.933 -18.523 1.00 0.00 O ATOM 1180 CB LYS A 76 17.034 17.806 -16.371 1.00 0.00 C ATOM 1181 CG LYS A 76 17.835 19.102 -16.357 1.00 0.00 C ATOM 1182 CD LYS A 76 19.326 18.842 -16.222 1.00 0.00 C ATOM 1183 CE LYS A 76 19.702 18.454 -14.801 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.538 19.589 -13.855 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.246 16.037 -16.913 1.00 0.00 H new ATOM 0 HA LYS A 76 15.298 18.499 -15.343 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.345 17.187 -15.529 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.271 17.252 -17.279 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.644 19.657 -17.276 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.499 19.728 -15.531 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.620 18.046 -16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.879 19.735 -16.514 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.082 17.618 -14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.736 18.110 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.076 19.397 -12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.892 20.462 -14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.531 19.703 -13.621 1.00 0.00 H new ATOM 1198 N ILE A 77 14.007 19.696 -17.132 1.00 0.00 N ATOM 1199 CA ILE A 77 13.538 20.722 -18.042 1.00 0.00 C ATOM 1200 C ILE A 77 14.439 21.943 -17.864 1.00 0.00 C ATOM 1201 O ILE A 77 14.979 22.132 -16.770 1.00 0.00 O ATOM 1202 CB ILE A 77 12.061 21.097 -17.738 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.193 19.841 -17.578 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.477 21.999 -18.816 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.353 18.815 -18.681 1.00 0.00 C ATOM 0 H ILE A 77 13.466 19.617 -16.271 1.00 0.00 H new ATOM 0 HA ILE A 77 13.579 20.359 -19.069 1.00 0.00 H new ATOM 0 HB ILE A 77 12.059 21.647 -16.797 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.432 19.370 -16.625 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.147 20.143 -17.530 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.443 22.240 -18.568 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.059 22.919 -18.876 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.510 21.486 -19.777 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.702 17.964 -18.483 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.083 19.264 -19.637 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.389 18.478 -18.717 1.00 0.00 H new ATOM 1217 N PRO A 78 14.652 22.781 -18.904 1.00 0.00 N ATOM 1218 CA PRO A 78 15.425 24.014 -18.752 1.00 0.00 C ATOM 1219 C PRO A 78 14.773 24.926 -17.725 1.00 0.00 C ATOM 1220 O PRO A 78 13.797 24.555 -17.101 1.00 0.00 O ATOM 1221 CB PRO A 78 15.386 24.649 -20.143 1.00 0.00 C ATOM 1222 CG PRO A 78 15.087 23.522 -21.058 1.00 0.00 C ATOM 1223 CD PRO A 78 14.176 22.615 -20.286 1.00 0.00 C ATOM 0 HA PRO A 78 16.442 23.836 -18.402 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.621 25.423 -20.204 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.337 25.120 -20.391 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.609 23.874 -21.972 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.999 23.004 -21.354 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.131 22.905 -20.392 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.255 21.581 -20.620 1.00 0.00 H new