USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.2) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -108:sc= -0.338 (180deg=-1.97!) USER MOD Single : A 24 SER OG : rot 9:sc= 0.123 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -2.17! C(o=-2.2!,f=-2.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.309 USER MOD Single : A 40 MET CE :methyl 166:sc= -0.0304 (180deg=-0.314) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot -99:sc= 0.577 USER MOD Single : A 55 HIS : no HD1:sc=-0.00796 X(o=-0.008,f=-0.0025) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 1.18 (180deg=1.05) USER MOD Single : A 64 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.013) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -80:sc= 0.758 USER MOD Single : A 72 ASN : amide:sc= -2.47 K(o=-2.5,f=-7.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -11.152 21.178 31.030 1.00 0.00 N ATOM 2 CA SER A 7 -12.520 21.520 31.402 1.00 0.00 C ATOM 3 C SER A 7 -13.213 20.224 31.784 1.00 0.00 C ATOM 4 O SER A 7 -13.015 19.201 31.119 1.00 0.00 O ATOM 5 CB SER A 7 -13.233 22.207 30.219 1.00 0.00 C ATOM 6 OG SER A 7 -14.519 22.725 30.557 1.00 0.00 O ATOM 0 HA SER A 7 -12.541 22.218 32.239 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.608 23.020 29.850 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.340 21.492 29.404 1.00 0.00 H new ATOM 0 HG SER A 7 -14.919 23.149 29.769 1.00 0.00 H new ATOM 12 N GLY A 8 -14.013 20.263 32.836 1.00 0.00 N ATOM 13 CA GLY A 8 -14.663 19.077 33.323 1.00 0.00 C ATOM 14 C GLY A 8 -15.911 18.732 32.547 1.00 0.00 C ATOM 15 O GLY A 8 -17.013 19.201 32.865 1.00 0.00 O ATOM 0 H GLY A 8 -14.223 21.110 33.365 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.967 18.240 33.273 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.920 19.215 34.373 1.00 0.00 H new ATOM 19 N ARG A 9 -15.721 17.952 31.515 1.00 0.00 N ATOM 20 CA ARG A 9 -16.783 17.414 30.700 1.00 0.00 C ATOM 21 C ARG A 9 -16.308 16.085 30.162 1.00 0.00 C ATOM 22 O ARG A 9 -15.508 16.003 29.223 1.00 0.00 O ATOM 23 CB ARG A 9 -17.245 18.380 29.598 1.00 0.00 C ATOM 24 CG ARG A 9 -16.154 18.876 28.664 1.00 0.00 C ATOM 25 CD ARG A 9 -16.706 19.866 27.666 1.00 0.00 C ATOM 26 NE ARG A 9 -17.305 21.014 28.342 1.00 0.00 N ATOM 27 CZ ARG A 9 -17.060 22.286 28.065 1.00 0.00 C ATOM 28 NH1 ARG A 9 -16.310 22.618 27.017 1.00 0.00 N ATOM 29 NH2 ARG A 9 -17.597 23.231 28.819 1.00 0.00 N ATOM 0 H ARG A 9 -14.792 17.663 31.207 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.677 17.269 31.306 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.012 17.884 29.002 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.716 19.243 30.069 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.358 19.344 29.244 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.710 18.032 28.137 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.908 20.205 27.005 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.453 19.378 27.040 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.969 20.820 29.092 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.918 21.890 26.419 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.127 23.600 26.812 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.194 22.978 29.606 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.414 24.213 28.613 1.00 0.00 H new ATOM 43 N GLU A 10 -16.740 15.056 30.833 1.00 0.00 N ATOM 44 CA GLU A 10 -16.345 13.701 30.540 1.00 0.00 C ATOM 45 C GLU A 10 -17.078 13.179 29.309 1.00 0.00 C ATOM 46 O GLU A 10 -18.205 12.685 29.374 1.00 0.00 O ATOM 47 CB GLU A 10 -16.520 12.831 31.796 1.00 0.00 C ATOM 48 CG GLU A 10 -17.885 12.981 32.449 1.00 0.00 C ATOM 49 CD GLU A 10 -18.012 12.272 33.772 1.00 0.00 C ATOM 50 OE1 GLU A 10 -17.549 12.819 34.794 1.00 0.00 O ATOM 51 OE2 GLU A 10 -18.633 11.200 33.847 1.00 0.00 O ATOM 0 H GLU A 10 -17.390 15.133 31.615 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.287 13.662 30.281 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.366 11.785 31.529 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.748 13.092 32.520 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.092 14.041 32.595 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.646 12.598 31.769 1.00 0.00 H new ATOM 58 N ASN A 11 -16.463 13.380 28.171 1.00 0.00 N ATOM 59 CA ASN A 11 -17.029 12.982 26.902 1.00 0.00 C ATOM 60 C ASN A 11 -16.500 11.630 26.513 1.00 0.00 C ATOM 61 O ASN A 11 -15.412 11.227 26.944 1.00 0.00 O ATOM 62 CB ASN A 11 -16.717 13.989 25.778 1.00 0.00 C ATOM 63 CG ASN A 11 -17.287 15.378 26.004 1.00 0.00 C ATOM 64 OD1 ASN A 11 -18.303 15.549 26.679 1.00 0.00 O ATOM 65 ND2 ASN A 11 -16.657 16.375 25.425 1.00 0.00 N ATOM 0 H ASN A 11 -15.549 13.827 28.096 1.00 0.00 H new ATOM 0 HA ASN A 11 -18.111 12.948 27.028 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.636 14.067 25.667 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.107 13.598 24.838 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.007 17.328 25.527 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -15.818 16.196 24.873 1.00 0.00 H new ATOM 72 N LEU A 12 -17.267 10.946 25.708 1.00 0.00 N ATOM 73 CA LEU A 12 -16.903 9.639 25.197 1.00 0.00 C ATOM 74 C LEU A 12 -15.759 9.752 24.196 1.00 0.00 C ATOM 75 O LEU A 12 -15.362 10.856 23.799 1.00 0.00 O ATOM 76 CB LEU A 12 -18.146 8.926 24.614 1.00 0.00 C ATOM 77 CG LEU A 12 -18.967 9.674 23.544 1.00 0.00 C ATOM 78 CD1 LEU A 12 -18.291 9.713 22.182 1.00 0.00 C ATOM 79 CD2 LEU A 12 -20.374 9.119 23.432 1.00 0.00 C ATOM 0 H LEU A 12 -18.174 11.279 25.381 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.537 9.020 26.016 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.818 7.979 24.184 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -18.814 8.686 25.442 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.028 10.706 23.889 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -18.923 10.254 21.478 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.329 10.218 22.268 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.136 8.695 21.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.923 9.670 22.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.329 8.065 23.157 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.883 9.222 24.390 1.00 0.00 H new ATOM 91 N TYR A 13 -15.244 8.629 23.778 1.00 0.00 N ATOM 92 CA TYR A 13 -14.152 8.633 22.838 1.00 0.00 C ATOM 93 C TYR A 13 -14.745 8.682 21.445 1.00 0.00 C ATOM 94 O TYR A 13 -15.456 7.760 21.032 1.00 0.00 O ATOM 95 CB TYR A 13 -13.257 7.397 23.009 1.00 0.00 C ATOM 96 CG TYR A 13 -11.975 7.432 22.190 1.00 0.00 C ATOM 97 CD1 TYR A 13 -10.838 8.037 22.702 1.00 0.00 C ATOM 98 CD2 TYR A 13 -11.895 6.866 20.921 1.00 0.00 C ATOM 99 CE1 TYR A 13 -9.662 8.083 21.986 1.00 0.00 C ATOM 100 CE2 TYR A 13 -10.716 6.908 20.193 1.00 0.00 C ATOM 101 CZ TYR A 13 -9.602 7.518 20.734 1.00 0.00 C ATOM 102 OH TYR A 13 -8.421 7.576 20.023 1.00 0.00 O ATOM 0 H TYR A 13 -15.559 7.704 24.070 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.517 9.502 23.013 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.998 7.294 24.063 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.827 6.510 22.732 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.875 8.483 23.685 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.765 6.387 20.497 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.790 8.561 22.407 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.669 6.466 19.209 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.538 7.132 19.157 1.00 0.00 H new ATOM 112 N PHE A 14 -14.518 9.779 20.759 1.00 0.00 N ATOM 113 CA PHE A 14 -14.986 9.919 19.404 1.00 0.00 C ATOM 114 C PHE A 14 -14.098 9.069 18.521 1.00 0.00 C ATOM 115 O PHE A 14 -12.879 9.033 18.750 1.00 0.00 O ATOM 116 CB PHE A 14 -14.982 11.386 18.968 1.00 0.00 C ATOM 117 CG PHE A 14 -15.888 12.248 19.801 1.00 0.00 C ATOM 118 CD1 PHE A 14 -15.378 13.074 20.789 1.00 0.00 C ATOM 119 CD2 PHE A 14 -17.256 12.215 19.606 1.00 0.00 C ATOM 120 CE1 PHE A 14 -16.220 13.850 21.562 1.00 0.00 C ATOM 121 CE2 PHE A 14 -18.097 12.990 20.375 1.00 0.00 C ATOM 122 CZ PHE A 14 -17.580 13.808 21.354 1.00 0.00 C ATOM 0 H PHE A 14 -14.011 10.587 21.120 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.019 9.580 19.322 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.965 11.774 19.027 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -15.288 11.450 17.924 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.312 13.112 20.957 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.671 11.574 18.842 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.811 14.490 22.330 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.164 12.955 20.209 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.239 14.415 21.957 1.00 0.00 H new ATOM 132 N GLN A 15 -14.716 8.395 17.554 1.00 0.00 N ATOM 133 CA GLN A 15 -14.075 7.447 16.651 1.00 0.00 C ATOM 134 C GLN A 15 -12.749 7.972 16.131 1.00 0.00 C ATOM 135 O GLN A 15 -12.687 8.989 15.430 1.00 0.00 O ATOM 136 CB GLN A 15 -15.034 7.080 15.513 1.00 0.00 C ATOM 137 CG GLN A 15 -14.491 6.084 14.494 1.00 0.00 C ATOM 138 CD GLN A 15 -15.571 5.603 13.542 1.00 0.00 C ATOM 139 OE1 GLN A 15 -16.743 5.521 13.913 1.00 0.00 O ATOM 140 NE2 GLN A 15 -15.203 5.288 12.320 1.00 0.00 N ATOM 0 H GLN A 15 -15.714 8.499 17.372 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.845 6.540 17.209 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.945 6.669 15.947 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.315 7.993 14.989 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.686 6.549 13.925 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.060 5.229 15.016 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.224 5.368 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.897 4.964 11.646 1.00 0.00 H new ATOM 149 N GLY A 16 -11.700 7.298 16.542 1.00 0.00 N ATOM 150 CA GLY A 16 -10.373 7.666 16.180 1.00 0.00 C ATOM 151 C GLY A 16 -10.006 7.108 14.839 1.00 0.00 C ATOM 152 O GLY A 16 -9.688 5.924 14.709 1.00 0.00 O ATOM 0 H GLY A 16 -11.756 6.474 17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.286 8.752 16.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.673 7.303 16.933 1.00 0.00 H new ATOM 156 N HIS A 17 -10.062 7.954 13.846 1.00 0.00 N ATOM 157 CA HIS A 17 -9.723 7.598 12.483 1.00 0.00 C ATOM 158 C HIS A 17 -8.207 7.440 12.366 1.00 0.00 C ATOM 159 O HIS A 17 -7.497 7.580 13.374 1.00 0.00 O ATOM 160 CB HIS A 17 -10.299 8.636 11.507 1.00 0.00 C ATOM 161 CG HIS A 17 -11.804 8.702 11.558 1.00 0.00 C ATOM 162 ND1 HIS A 17 -12.516 9.597 12.330 1.00 0.00 N ATOM 163 CD2 HIS A 17 -12.734 7.936 10.935 1.00 0.00 C ATOM 164 CE1 HIS A 17 -13.816 9.348 12.160 1.00 0.00 C ATOM 165 NE2 HIS A 17 -14.007 8.349 11.321 1.00 0.00 N ATOM 0 H HIS A 17 -10.348 8.927 13.957 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.171 6.641 12.215 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.887 9.618 11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.983 8.391 10.493 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.521 7.131 10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.610 9.895 12.647 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -14.900 7.960 11.018 1.00 0.00 H new ATOM 173 N MET A 18 -7.702 7.126 11.180 1.00 0.00 N ATOM 174 CA MET A 18 -6.268 6.868 11.021 1.00 0.00 C ATOM 175 C MET A 18 -5.392 8.043 11.431 1.00 0.00 C ATOM 176 O MET A 18 -5.837 9.196 11.535 1.00 0.00 O ATOM 177 CB MET A 18 -5.877 6.374 9.626 1.00 0.00 C ATOM 178 CG MET A 18 -6.443 5.024 9.179 1.00 0.00 C ATOM 179 SD MET A 18 -6.130 3.633 10.304 1.00 0.00 S ATOM 180 CE MET A 18 -7.466 3.763 11.505 1.00 0.00 C ATOM 0 H MET A 18 -8.250 7.043 10.324 1.00 0.00 H new ATOM 0 HA MET A 18 -6.076 6.052 11.717 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.187 7.127 8.902 1.00 0.00 H new ATOM 0 HB3 MET A 18 -4.789 6.316 9.580 1.00 0.00 H new ATOM 0 HG2 MET A 18 -7.520 5.127 9.048 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.025 4.780 8.202 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.066 4.111 12.458 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.212 4.471 11.144 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.929 2.786 11.641 1.00 0.00 H new ATOM 190 N ALA A 19 -4.152 7.734 11.671 1.00 0.00 N ATOM 191 CA ALA A 19 -3.188 8.697 12.125 1.00 0.00 C ATOM 192 C ALA A 19 -2.131 8.882 11.056 1.00 0.00 C ATOM 193 O ALA A 19 -2.225 8.274 9.984 1.00 0.00 O ATOM 194 CB ALA A 19 -2.570 8.238 13.438 1.00 0.00 C ATOM 0 H ALA A 19 -3.775 6.793 11.556 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.676 9.655 12.304 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.840 8.975 13.774 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.351 8.132 14.190 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.075 7.278 13.291 1.00 0.00 H new ATOM 200 N ALA A 20 -1.167 9.730 11.353 1.00 0.00 N ATOM 201 CA ALA A 20 -0.054 10.043 10.476 1.00 0.00 C ATOM 202 C ALA A 20 0.670 8.779 10.028 1.00 0.00 C ATOM 203 O ALA A 20 1.018 7.935 10.872 1.00 0.00 O ATOM 204 CB ALA A 20 0.921 10.953 11.208 1.00 0.00 C ATOM 0 H ALA A 20 -1.135 10.236 12.238 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.445 10.543 9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.759 11.191 10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.413 11.873 11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.290 10.448 12.100 1.00 0.00 H new ATOM 210 N PRO A 21 0.826 8.610 8.693 1.00 0.00 N ATOM 211 CA PRO A 21 1.559 7.499 8.084 1.00 0.00 C ATOM 212 C PRO A 21 2.904 7.256 8.759 1.00 0.00 C ATOM 213 O PRO A 21 3.806 8.101 8.743 1.00 0.00 O ATOM 214 CB PRO A 21 1.746 7.962 6.647 1.00 0.00 C ATOM 215 CG PRO A 21 0.518 8.751 6.379 1.00 0.00 C ATOM 216 CD PRO A 21 0.234 9.485 7.657 1.00 0.00 C ATOM 0 HA PRO A 21 1.030 6.550 8.174 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.645 8.567 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.840 7.119 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.669 9.445 5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.314 8.103 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.688 10.476 7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.836 9.624 7.812 1.00 0.00 H new ATOM 224 N ALA A 22 3.004 6.078 9.323 1.00 0.00 N ATOM 225 CA ALA A 22 4.084 5.600 10.181 1.00 0.00 C ATOM 226 C ALA A 22 5.464 5.392 9.541 1.00 0.00 C ATOM 227 O ALA A 22 6.222 4.524 9.987 1.00 0.00 O ATOM 228 CB ALA A 22 3.598 4.301 10.741 1.00 0.00 C ATOM 0 H ALA A 22 2.284 5.368 9.191 1.00 0.00 H new ATOM 0 HA ALA A 22 4.277 6.385 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.359 3.880 11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.682 4.469 11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.398 3.606 9.926 1.00 0.00 H new ATOM 234 N ARG A 23 5.810 6.206 8.568 1.00 0.00 N ATOM 235 CA ARG A 23 7.119 6.149 7.892 1.00 0.00 C ATOM 236 C ARG A 23 7.453 4.798 7.238 1.00 0.00 C ATOM 237 O ARG A 23 8.620 4.471 6.992 1.00 0.00 O ATOM 238 CB ARG A 23 8.237 6.605 8.834 1.00 0.00 C ATOM 239 CG ARG A 23 8.269 8.105 9.046 1.00 0.00 C ATOM 240 CD ARG A 23 9.253 8.485 10.133 1.00 0.00 C ATOM 241 NE ARG A 23 9.544 9.922 10.148 1.00 0.00 N ATOM 242 CZ ARG A 23 8.819 10.888 10.724 1.00 0.00 C ATOM 243 NH1 ARG A 23 7.615 10.639 11.237 1.00 0.00 N ATOM 244 NH2 ARG A 23 9.301 12.121 10.749 1.00 0.00 N ATOM 0 H ARG A 23 5.196 6.938 8.209 1.00 0.00 H new ATOM 0 HA ARG A 23 7.043 6.847 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.114 6.112 9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.197 6.282 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.543 8.601 8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.273 8.458 9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.852 8.188 11.102 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.181 7.931 9.989 1.00 0.00 H new ATOM 0 HE ARG A 23 10.393 10.218 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.228 9.696 11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.080 11.391 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.211 12.321 10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.763 12.870 11.184 1.00 0.00 H new ATOM 258 N SER A 24 6.442 4.041 6.891 1.00 0.00 N ATOM 259 CA SER A 24 6.614 2.777 6.211 1.00 0.00 C ATOM 260 C SER A 24 5.352 2.422 5.456 1.00 0.00 C ATOM 261 O SER A 24 4.267 2.615 5.982 1.00 0.00 O ATOM 262 CB SER A 24 6.956 1.682 7.220 1.00 0.00 C ATOM 263 OG SER A 24 8.240 1.889 7.780 1.00 0.00 O ATOM 0 H SER A 24 5.468 4.285 7.073 1.00 0.00 H new ATOM 0 HA SER A 24 7.435 2.864 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.208 1.667 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.922 0.709 6.731 1.00 0.00 H new ATOM 0 HG SER A 24 8.581 2.765 7.502 1.00 0.00 H new ATOM 269 N CYS A 25 5.508 1.899 4.258 1.00 0.00 N ATOM 270 CA CYS A 25 4.416 1.471 3.426 1.00 0.00 C ATOM 271 C CYS A 25 4.467 -0.025 3.437 1.00 0.00 C ATOM 272 O CYS A 25 5.527 -0.617 3.274 1.00 0.00 O ATOM 273 CB CYS A 25 4.591 1.974 1.995 1.00 0.00 C ATOM 274 SG CYS A 25 4.531 3.781 1.832 1.00 0.00 S ATOM 0 H CYS A 25 6.423 1.759 3.830 1.00 0.00 H new ATOM 0 HA CYS A 25 3.466 1.860 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.546 1.617 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.812 1.537 1.370 1.00 0.00 H new ATOM 279 N VAL A 26 3.352 -0.630 3.675 1.00 0.00 N ATOM 280 CA VAL A 26 3.286 -2.053 3.822 1.00 0.00 C ATOM 281 C VAL A 26 2.601 -2.604 2.615 1.00 0.00 C ATOM 282 O VAL A 26 1.496 -2.188 2.279 1.00 0.00 O ATOM 283 CB VAL A 26 2.520 -2.402 5.096 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.750 -3.813 5.541 1.00 0.00 C ATOM 285 CG2 VAL A 26 2.935 -1.474 6.160 1.00 0.00 C ATOM 0 H VAL A 26 2.455 -0.154 3.774 1.00 0.00 H new ATOM 0 HA VAL A 26 4.283 -2.485 3.906 1.00 0.00 H new ATOM 0 HB VAL A 26 1.455 -2.307 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.181 -4.005 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.425 -4.499 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.811 -3.964 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.397 -1.709 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.007 -1.573 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.709 -0.451 5.859 1.00 0.00 H new ATOM 295 N TYR A 27 3.276 -3.505 1.978 1.00 0.00 N ATOM 296 CA TYR A 27 2.850 -4.075 0.739 1.00 0.00 C ATOM 297 C TYR A 27 2.014 -5.293 0.980 1.00 0.00 C ATOM 298 O TYR A 27 2.388 -6.191 1.744 1.00 0.00 O ATOM 299 CB TYR A 27 4.059 -4.356 -0.160 1.00 0.00 C ATOM 300 CG TYR A 27 4.695 -3.078 -0.666 1.00 0.00 C ATOM 301 CD1 TYR A 27 4.646 -2.757 -2.004 1.00 0.00 C ATOM 302 CD2 TYR A 27 5.296 -2.172 0.200 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.172 -1.572 -2.472 1.00 0.00 C ATOM 304 CE2 TYR A 27 5.832 -0.988 -0.259 1.00 0.00 C ATOM 305 CZ TYR A 27 5.764 -0.692 -1.598 1.00 0.00 C ATOM 306 OH TYR A 27 6.283 0.490 -2.067 1.00 0.00 O ATOM 0 H TYR A 27 4.165 -3.876 2.314 1.00 0.00 H new ATOM 0 HA TYR A 27 2.218 -3.360 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.798 -4.934 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.747 -4.967 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.188 -3.445 -2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.344 -2.401 1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.119 -1.335 -3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.301 -0.299 0.428 1.00 0.00 H new ATOM 0 HH TYR A 27 6.664 0.999 -1.321 1.00 0.00 H new ATOM 316 N TYR A 28 0.876 -5.288 0.360 1.00 0.00 N ATOM 317 CA TYR A 28 -0.088 -6.321 0.465 1.00 0.00 C ATOM 318 C TYR A 28 -0.494 -6.791 -0.909 1.00 0.00 C ATOM 319 O TYR A 28 -0.370 -6.057 -1.891 1.00 0.00 O ATOM 320 CB TYR A 28 -1.344 -5.825 1.166 1.00 0.00 C ATOM 321 CG TYR A 28 -1.204 -5.431 2.625 1.00 0.00 C ATOM 322 CD1 TYR A 28 -0.885 -4.137 3.005 1.00 0.00 C ATOM 323 CD2 TYR A 28 -1.414 -6.364 3.627 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.777 -3.796 4.337 1.00 0.00 C ATOM 325 CE2 TYR A 28 -1.309 -6.031 4.959 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.987 -4.743 5.309 1.00 0.00 C ATOM 327 OH TYR A 28 -0.895 -4.391 6.638 1.00 0.00 O ATOM 0 H TYR A 28 0.588 -4.529 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 28 0.364 -7.131 1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.722 -4.963 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.102 -6.605 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.719 -3.385 2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.667 -7.379 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.527 -2.783 4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.478 -6.777 5.722 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.072 -5.176 7.197 1.00 0.00 H new ATOM 337 N ASP A 29 -1.003 -7.989 -0.946 1.00 0.00 N ATOM 338 CA ASP A 29 -1.510 -8.601 -2.165 1.00 0.00 C ATOM 339 C ASP A 29 -2.972 -8.849 -1.912 1.00 0.00 C ATOM 340 O ASP A 29 -3.322 -9.734 -1.140 1.00 0.00 O ATOM 341 CB ASP A 29 -0.795 -9.939 -2.399 1.00 0.00 C ATOM 342 CG ASP A 29 -1.257 -10.761 -3.605 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.458 -10.803 -3.947 1.00 0.00 O ATOM 344 OD2 ASP A 29 -0.417 -11.462 -4.196 1.00 0.00 O ATOM 0 H ASP A 29 -1.084 -8.587 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.349 -7.970 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.271 -9.741 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.914 -10.550 -1.504 1.00 0.00 H new ATOM 349 N GLY A 30 -3.807 -7.998 -2.432 1.00 0.00 N ATOM 350 CA GLY A 30 -5.219 -8.189 -2.270 1.00 0.00 C ATOM 351 C GLY A 30 -5.994 -7.194 -3.057 1.00 0.00 C ATOM 352 O GLY A 30 -5.561 -6.053 -3.198 1.00 0.00 O ATOM 0 H GLY A 30 -3.539 -7.172 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.490 -9.196 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.481 -8.105 -1.215 1.00 0.00 H new ATOM 356 N HIS A 31 -7.131 -7.593 -3.535 1.00 0.00 N ATOM 357 CA HIS A 31 -8.019 -6.680 -4.220 1.00 0.00 C ATOM 358 C HIS A 31 -8.873 -5.967 -3.189 1.00 0.00 C ATOM 359 O HIS A 31 -9.220 -4.801 -3.339 1.00 0.00 O ATOM 360 CB HIS A 31 -8.902 -7.396 -5.247 1.00 0.00 C ATOM 361 CG HIS A 31 -8.174 -7.881 -6.464 1.00 0.00 C ATOM 362 ND1 HIS A 31 -8.033 -9.208 -6.817 1.00 0.00 N ATOM 363 CD2 HIS A 31 -7.580 -7.172 -7.448 1.00 0.00 C ATOM 364 CE1 HIS A 31 -7.369 -9.261 -7.977 1.00 0.00 C ATOM 365 NE2 HIS A 31 -7.071 -8.046 -8.406 1.00 0.00 N ATOM 0 H HIS A 31 -7.476 -8.550 -3.467 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.417 -5.960 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.382 -8.247 -4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.696 -6.718 -5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.510 -6.095 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.111 -10.173 -8.494 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -6.572 -7.800 -9.261 1.00 0.00 H new ATOM 373 N LEU A 32 -9.155 -6.666 -2.105 1.00 0.00 N ATOM 374 CA LEU A 32 -9.971 -6.135 -1.040 1.00 0.00 C ATOM 375 C LEU A 32 -9.140 -6.109 0.216 1.00 0.00 C ATOM 376 O LEU A 32 -8.175 -6.877 0.318 1.00 0.00 O ATOM 377 CB LEU A 32 -11.194 -7.026 -0.738 1.00 0.00 C ATOM 378 CG LEU A 32 -12.209 -7.302 -1.844 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.648 -6.030 -2.551 1.00 0.00 C ATOM 380 CD2 LEU A 32 -11.736 -8.369 -2.813 1.00 0.00 C ATOM 0 H LEU A 32 -8.823 -7.617 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.316 -5.149 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.820 -7.989 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.732 -6.573 0.095 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.095 -7.707 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.370 -6.277 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.108 -5.354 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.781 -5.546 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.495 -8.527 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.807 -8.047 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.566 -9.301 -2.274 1.00 0.00 H new ATOM 392 N PRO A 33 -9.493 -5.252 1.193 1.00 0.00 N ATOM 393 CA PRO A 33 -8.831 -5.227 2.502 1.00 0.00 C ATOM 394 C PRO A 33 -8.895 -6.604 3.166 1.00 0.00 C ATOM 395 O PRO A 33 -7.926 -7.070 3.764 1.00 0.00 O ATOM 396 CB PRO A 33 -9.653 -4.212 3.314 1.00 0.00 C ATOM 397 CG PRO A 33 -10.885 -3.949 2.522 1.00 0.00 C ATOM 398 CD PRO A 33 -10.521 -4.200 1.092 1.00 0.00 C ATOM 0 HA PRO A 33 -7.776 -4.963 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.900 -4.610 4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.089 -3.293 3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.698 -4.603 2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.227 -2.924 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.380 -4.530 0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.134 -3.302 0.610 1.00 0.00 H new ATOM 406 N ALA A 34 -10.013 -7.287 2.963 1.00 0.00 N ATOM 407 CA ALA A 34 -10.246 -8.587 3.563 1.00 0.00 C ATOM 408 C ALA A 34 -9.380 -9.668 2.922 1.00 0.00 C ATOM 409 O ALA A 34 -9.132 -10.714 3.523 1.00 0.00 O ATOM 410 CB ALA A 34 -11.716 -8.948 3.448 1.00 0.00 C ATOM 0 H ALA A 34 -10.780 -6.954 2.379 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.968 -8.529 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.887 -9.925 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.316 -8.199 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.002 -8.979 2.397 1.00 0.00 H new ATOM 416 N THR A 35 -8.886 -9.421 1.727 1.00 0.00 N ATOM 417 CA THR A 35 -8.123 -10.425 1.034 1.00 0.00 C ATOM 418 C THR A 35 -6.650 -10.051 0.897 1.00 0.00 C ATOM 419 O THR A 35 -5.927 -10.700 0.143 1.00 0.00 O ATOM 420 CB THR A 35 -8.740 -10.735 -0.347 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.907 -9.530 -1.116 1.00 0.00 O ATOM 422 CG2 THR A 35 -10.083 -11.431 -0.204 1.00 0.00 C ATOM 0 H THR A 35 -9.000 -8.541 1.223 1.00 0.00 H new ATOM 0 HA THR A 35 -8.166 -11.327 1.645 1.00 0.00 H new ATOM 0 HB THR A 35 -8.051 -11.400 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.298 -9.750 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.493 -11.637 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.951 -12.368 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.769 -10.788 0.347 1.00 0.00 H new ATOM 430 N ARG A 36 -6.198 -9.017 1.614 1.00 0.00 N ATOM 431 CA ARG A 36 -4.793 -8.639 1.549 1.00 0.00 C ATOM 432 C ARG A 36 -3.927 -9.709 2.193 1.00 0.00 C ATOM 433 O ARG A 36 -4.322 -10.360 3.160 1.00 0.00 O ATOM 434 CB ARG A 36 -4.486 -7.383 2.336 1.00 0.00 C ATOM 435 CG ARG A 36 -5.349 -6.171 2.102 1.00 0.00 C ATOM 436 CD ARG A 36 -5.266 -5.599 0.699 1.00 0.00 C ATOM 437 NE ARG A 36 -5.991 -4.339 0.703 1.00 0.00 N ATOM 438 CZ ARG A 36 -6.300 -3.545 -0.328 1.00 0.00 C ATOM 439 NH1 ARG A 36 -6.057 -3.901 -1.584 1.00 0.00 N ATOM 440 NH2 ARG A 36 -6.878 -2.381 -0.073 1.00 0.00 N ATOM 0 H ARG A 36 -6.773 -8.442 2.230 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.587 -8.495 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.541 -7.632 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.454 -7.103 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.386 -6.433 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.065 -5.396 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.227 -5.444 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.700 -6.290 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.307 -4.016 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.623 -4.802 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.304 -3.273 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.076 -2.110 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.125 -1.755 -0.840 1.00 0.00 H new ATOM 454 N VAL A 37 -2.755 -9.863 1.653 1.00 0.00 N ATOM 455 CA VAL A 37 -1.730 -10.737 2.178 1.00 0.00 C ATOM 456 C VAL A 37 -0.539 -9.837 2.405 1.00 0.00 C ATOM 457 O VAL A 37 -0.161 -9.115 1.489 1.00 0.00 O ATOM 458 CB VAL A 37 -1.349 -11.835 1.152 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.263 -12.755 1.690 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.567 -12.639 0.724 1.00 0.00 C ATOM 0 H VAL A 37 -2.469 -9.371 0.807 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.066 -11.246 3.082 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.951 -11.327 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.023 -13.511 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.630 -12.171 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.616 -13.243 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.266 -13.400 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.011 -13.119 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.298 -11.974 0.264 1.00 0.00 H new ATOM 470 N LEU A 38 0.009 -9.811 3.597 1.00 0.00 N ATOM 471 CA LEU A 38 1.129 -8.932 3.859 1.00 0.00 C ATOM 472 C LEU A 38 2.397 -9.523 3.271 1.00 0.00 C ATOM 473 O LEU A 38 2.800 -10.641 3.599 1.00 0.00 O ATOM 474 CB LEU A 38 1.252 -8.589 5.355 1.00 0.00 C ATOM 475 CG LEU A 38 2.304 -7.534 5.761 1.00 0.00 C ATOM 476 CD1 LEU A 38 1.948 -6.961 7.110 1.00 0.00 C ATOM 477 CD2 LEU A 38 3.707 -8.117 5.861 1.00 0.00 C ATOM 0 H LEU A 38 -0.294 -10.377 4.390 1.00 0.00 H new ATOM 0 HA LEU A 38 0.954 -7.978 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.278 -8.244 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.474 -9.510 5.894 1.00 0.00 H new ATOM 0 HG LEU A 38 2.299 -6.769 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.691 -6.216 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.965 -6.492 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.930 -7.760 7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.407 -7.333 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.720 -8.908 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.000 -8.528 4.895 1.00 0.00 H new ATOM 489 N LEU A 39 2.989 -8.775 2.373 1.00 0.00 N ATOM 490 CA LEU A 39 4.196 -9.178 1.690 1.00 0.00 C ATOM 491 C LEU A 39 5.413 -8.701 2.460 1.00 0.00 C ATOM 492 O LEU A 39 6.347 -9.470 2.690 1.00 0.00 O ATOM 493 CB LEU A 39 4.189 -8.627 0.262 1.00 0.00 C ATOM 494 CG LEU A 39 2.969 -9.023 -0.579 1.00 0.00 C ATOM 495 CD1 LEU A 39 3.060 -8.462 -1.985 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.806 -10.532 -0.615 1.00 0.00 C ATOM 0 H LEU A 39 2.643 -7.858 2.092 1.00 0.00 H new ATOM 0 HA LEU A 39 4.239 -10.266 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.242 -7.539 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.090 -8.969 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 39 2.087 -8.592 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.180 -8.761 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.110 -7.374 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.956 -8.847 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.935 -10.790 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.696 -10.984 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.670 -10.908 0.399 1.00 0.00 H new ATOM 508 N MET A 40 5.380 -7.433 2.871 1.00 0.00 N ATOM 509 CA MET A 40 6.471 -6.804 3.637 1.00 0.00 C ATOM 510 C MET A 40 6.189 -5.354 3.955 1.00 0.00 C ATOM 511 O MET A 40 5.297 -4.735 3.378 1.00 0.00 O ATOM 512 CB MET A 40 7.845 -6.862 2.957 1.00 0.00 C ATOM 513 CG MET A 40 7.944 -6.179 1.623 1.00 0.00 C ATOM 514 SD MET A 40 9.654 -6.068 1.053 1.00 0.00 S ATOM 515 CE MET A 40 10.104 -7.799 0.902 1.00 0.00 C ATOM 0 H MET A 40 4.597 -6.807 2.685 1.00 0.00 H new ATOM 0 HA MET A 40 6.509 -7.403 4.547 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.580 -6.417 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.122 -7.908 2.830 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.351 -6.726 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.519 -5.178 1.695 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.029 -7.886 0.332 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.248 -8.225 1.895 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.308 -8.338 0.388 1.00 0.00 H new ATOM 525 N TYR A 41 6.970 -4.847 4.881 1.00 0.00 N ATOM 526 CA TYR A 41 6.958 -3.462 5.305 1.00 0.00 C ATOM 527 C TYR A 41 8.142 -2.792 4.626 1.00 0.00 C ATOM 528 O TYR A 41 9.246 -3.340 4.637 1.00 0.00 O ATOM 529 CB TYR A 41 7.189 -3.356 6.819 1.00 0.00 C ATOM 530 CG TYR A 41 6.199 -4.063 7.726 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.266 -3.348 8.459 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.223 -5.443 7.876 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.386 -3.987 9.312 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.348 -6.088 8.715 1.00 0.00 C ATOM 535 CZ TYR A 41 4.433 -5.358 9.436 1.00 0.00 C ATOM 536 OH TYR A 41 3.565 -6.009 10.284 1.00 0.00 O ATOM 0 H TYR A 41 7.659 -5.409 5.381 1.00 0.00 H new ATOM 0 HA TYR A 41 6.001 -3.006 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.183 -3.746 7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.196 -2.299 7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.226 -2.273 8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.946 -6.022 7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.666 -3.415 9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.378 -7.164 8.808 1.00 0.00 H new ATOM 0 HH TYR A 41 3.735 -6.974 10.249 1.00 0.00 H new ATOM 546 N VAL A 42 7.924 -1.653 4.020 1.00 0.00 N ATOM 547 CA VAL A 42 8.986 -0.917 3.364 1.00 0.00 C ATOM 548 C VAL A 42 9.034 0.481 3.935 1.00 0.00 C ATOM 549 O VAL A 42 8.057 1.205 3.846 1.00 0.00 O ATOM 550 CB VAL A 42 8.757 -0.818 1.845 1.00 0.00 C ATOM 551 CG1 VAL A 42 9.927 -0.130 1.146 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.529 -2.193 1.269 1.00 0.00 C ATOM 0 H VAL A 42 7.009 -1.206 3.965 1.00 0.00 H new ATOM 0 HA VAL A 42 9.922 -1.448 3.536 1.00 0.00 H new ATOM 0 HB VAL A 42 7.870 -0.208 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.731 -0.078 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.046 0.878 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.840 -0.699 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.368 -2.115 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.402 -2.817 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.652 -2.642 1.736 1.00 0.00 H new ATOM 562 N ARG A 43 10.140 0.840 4.539 1.00 0.00 N ATOM 563 CA ARG A 43 10.350 2.156 5.101 1.00 0.00 C ATOM 564 C ARG A 43 10.221 3.189 3.991 1.00 0.00 C ATOM 565 O ARG A 43 10.699 2.962 2.872 1.00 0.00 O ATOM 566 CB ARG A 43 11.770 2.241 5.644 1.00 0.00 C ATOM 567 CG ARG A 43 12.104 3.542 6.350 1.00 0.00 C ATOM 568 CD ARG A 43 13.555 3.876 6.107 1.00 0.00 C ATOM 569 NE ARG A 43 14.015 5.046 6.850 1.00 0.00 N ATOM 570 CZ ARG A 43 14.553 6.143 6.304 1.00 0.00 C ATOM 571 NH1 ARG A 43 14.409 6.394 5.008 1.00 0.00 N ATOM 572 NH2 ARG A 43 15.171 7.025 7.071 1.00 0.00 N ATOM 0 H ARG A 43 10.937 0.214 4.657 1.00 0.00 H new ATOM 0 HA ARG A 43 9.621 2.338 5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.929 1.416 6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.469 2.102 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.466 4.345 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.913 3.450 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.168 3.017 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.706 4.049 5.042 1.00 0.00 H new ATOM 0 HE ARG A 43 13.919 5.025 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.884 5.748 4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.823 7.233 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.237 6.869 8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.582 7.862 6.657 1.00 0.00 H new ATOM 586 N ILE A 44 9.571 4.292 4.291 1.00 0.00 N ATOM 587 CA ILE A 44 9.450 5.390 3.315 1.00 0.00 C ATOM 588 C ILE A 44 10.856 5.844 2.938 1.00 0.00 C ATOM 589 O ILE A 44 11.702 6.108 3.796 1.00 0.00 O ATOM 590 CB ILE A 44 8.721 6.658 3.836 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.369 6.361 4.469 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.558 7.699 2.722 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.241 5.895 3.586 1.00 0.00 C ATOM 0 H ILE A 44 9.118 4.466 5.188 1.00 0.00 H new ATOM 0 HA ILE A 44 8.863 4.984 2.491 1.00 0.00 H new ATOM 0 HB ILE A 44 9.359 7.063 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.523 5.602 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.037 7.266 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.044 8.576 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.540 7.990 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.973 7.272 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.350 5.728 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.031 6.654 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.525 4.965 3.094 1.00 0.00 H new ATOM 605 N GLY A 45 11.108 5.842 1.669 1.00 0.00 N ATOM 606 CA GLY A 45 12.355 6.319 1.131 1.00 0.00 C ATOM 607 C GLY A 45 13.201 5.178 0.646 1.00 0.00 C ATOM 608 O GLY A 45 14.076 5.338 -0.218 1.00 0.00 O ATOM 0 H GLY A 45 10.452 5.507 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.161 7.008 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.895 6.878 1.895 1.00 0.00 H new ATOM 612 N ASN A 46 12.899 4.020 1.168 1.00 0.00 N ATOM 613 CA ASN A 46 13.643 2.827 0.890 1.00 0.00 C ATOM 614 C ASN A 46 13.013 2.073 -0.256 1.00 0.00 C ATOM 615 O ASN A 46 11.838 2.271 -0.595 1.00 0.00 O ATOM 616 CB ASN A 46 13.672 1.963 2.134 1.00 0.00 C ATOM 617 CG ASN A 46 14.477 0.677 2.012 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.499 0.633 1.323 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.033 -0.378 2.648 1.00 0.00 N ATOM 0 H ASN A 46 12.117 3.879 1.808 1.00 0.00 H new ATOM 0 HA ASN A 46 14.662 3.091 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.080 2.551 2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.647 1.707 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.535 -1.263 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.185 -0.315 3.211 1.00 0.00 H new ATOM 626 N THR A 47 13.799 1.238 -0.846 1.00 0.00 N ATOM 627 CA THR A 47 13.374 0.410 -1.923 1.00 0.00 C ATOM 628 C THR A 47 13.198 -1.010 -1.445 1.00 0.00 C ATOM 629 O THR A 47 13.825 -1.440 -0.475 1.00 0.00 O ATOM 630 CB THR A 47 14.369 0.427 -3.085 1.00 0.00 C ATOM 631 OG1 THR A 47 15.708 0.166 -2.616 1.00 0.00 O ATOM 632 CG2 THR A 47 14.333 1.744 -3.827 1.00 0.00 C ATOM 0 H THR A 47 14.777 1.109 -0.587 1.00 0.00 H new ATOM 0 HA THR A 47 12.424 0.808 -2.281 1.00 0.00 H new ATOM 0 HB THR A 47 14.074 -0.363 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.329 0.179 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.052 1.720 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.333 1.909 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.588 2.554 -3.143 1.00 0.00 H new ATOM 640 N ALA A 48 12.355 -1.722 -2.117 1.00 0.00 N ATOM 641 CA ALA A 48 12.124 -3.109 -1.793 1.00 0.00 C ATOM 642 C ALA A 48 11.983 -3.912 -3.053 1.00 0.00 C ATOM 643 O ALA A 48 11.378 -3.452 -4.018 1.00 0.00 O ATOM 644 CB ALA A 48 10.894 -3.266 -0.937 1.00 0.00 C ATOM 0 H ALA A 48 11.806 -1.371 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 48 12.980 -3.476 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.743 -4.321 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.022 -2.707 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.026 -2.884 -1.474 1.00 0.00 H new ATOM 650 N THR A 49 12.549 -5.087 -3.052 1.00 0.00 N ATOM 651 CA THR A 49 12.477 -5.967 -4.188 1.00 0.00 C ATOM 652 C THR A 49 11.500 -7.071 -3.797 1.00 0.00 C ATOM 653 O THR A 49 11.811 -7.909 -2.950 1.00 0.00 O ATOM 654 CB THR A 49 13.870 -6.562 -4.468 1.00 0.00 C ATOM 655 OG1 THR A 49 14.869 -5.543 -4.218 1.00 0.00 O ATOM 656 CG2 THR A 49 13.978 -7.006 -5.921 1.00 0.00 C ATOM 0 H THR A 49 13.074 -5.463 -2.263 1.00 0.00 H new ATOM 0 HA THR A 49 12.150 -5.447 -5.089 1.00 0.00 H new ATOM 0 HB THR A 49 14.025 -7.425 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.839 -4.873 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.969 -7.424 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 49 13.222 -7.763 -6.127 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.821 -6.149 -6.576 1.00 0.00 H new ATOM 664 N ILE A 50 10.304 -7.023 -4.333 1.00 0.00 N ATOM 665 CA ILE A 50 9.275 -7.971 -3.945 1.00 0.00 C ATOM 666 C ILE A 50 9.220 -9.094 -4.943 1.00 0.00 C ATOM 667 O ILE A 50 8.823 -8.868 -6.070 1.00 0.00 O ATOM 668 CB ILE A 50 7.851 -7.343 -3.989 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.802 -5.904 -3.457 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.847 -8.223 -3.246 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.265 -5.740 -2.042 1.00 0.00 C ATOM 0 H ILE A 50 10.015 -6.343 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 50 9.530 -8.296 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 50 7.575 -7.292 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.415 -5.273 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.778 -5.538 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.859 -7.765 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.811 -9.208 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.154 -8.326 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.194 -4.691 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.638 -6.340 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.300 -6.070 -1.957 1.00 0.00 H new ATOM 683 N THR A 51 9.622 -10.271 -4.576 1.00 0.00 N ATOM 684 CA THR A 51 9.352 -11.362 -5.465 1.00 0.00 C ATOM 685 C THR A 51 8.004 -11.929 -5.040 1.00 0.00 C ATOM 686 O THR A 51 7.792 -12.285 -3.871 1.00 0.00 O ATOM 687 CB THR A 51 10.464 -12.435 -5.425 1.00 0.00 C ATOM 688 OG1 THR A 51 11.692 -11.871 -5.912 1.00 0.00 O ATOM 689 CG2 THR A 51 10.100 -13.656 -6.264 1.00 0.00 C ATOM 0 H THR A 51 10.114 -10.498 -3.712 1.00 0.00 H new ATOM 0 HA THR A 51 9.327 -11.021 -6.500 1.00 0.00 H new ATOM 0 HB THR A 51 10.581 -12.759 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.817 -12.122 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.906 -14.388 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.181 -14.100 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.952 -13.354 -7.301 1.00 0.00 H new ATOM 697 N ALA A 52 7.093 -11.952 -5.977 1.00 0.00 N ATOM 698 CA ALA A 52 5.776 -12.482 -5.773 1.00 0.00 C ATOM 699 C ALA A 52 5.278 -12.994 -7.101 1.00 0.00 C ATOM 700 O ALA A 52 5.311 -12.257 -8.087 1.00 0.00 O ATOM 701 CB ALA A 52 4.852 -11.401 -5.227 1.00 0.00 C ATOM 0 H ALA A 52 7.251 -11.596 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 52 5.796 -13.293 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.855 -11.816 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.241 -11.036 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.798 -10.576 -5.937 1.00 0.00 H new ATOM 707 N ARG A 53 4.901 -14.263 -7.146 1.00 0.00 N ATOM 708 CA ARG A 53 4.337 -14.887 -8.348 1.00 0.00 C ATOM 709 C ARG A 53 5.307 -14.874 -9.522 1.00 0.00 C ATOM 710 O ARG A 53 4.914 -14.894 -10.686 1.00 0.00 O ATOM 711 CB ARG A 53 2.976 -14.270 -8.695 1.00 0.00 C ATOM 712 CG ARG A 53 1.907 -14.701 -7.716 1.00 0.00 C ATOM 713 CD ARG A 53 0.547 -14.075 -7.970 1.00 0.00 C ATOM 714 NE ARG A 53 -0.493 -14.795 -7.219 1.00 0.00 N ATOM 715 CZ ARG A 53 -1.552 -14.270 -6.589 1.00 0.00 C ATOM 716 NH1 ARG A 53 -1.670 -12.953 -6.424 1.00 0.00 N ATOM 717 NH2 ARG A 53 -2.468 -15.084 -6.074 1.00 0.00 N ATOM 0 H ARG A 53 4.975 -14.897 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 53 4.168 -15.940 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.057 -13.183 -8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.688 -14.566 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.809 -15.786 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.230 -14.447 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.560 -13.026 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.320 -14.101 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.397 -15.809 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.947 -12.328 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.483 -12.570 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.359 -16.094 -6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.280 -14.698 -5.592 1.00 0.00 H new ATOM 731 N GLY A 54 6.581 -14.886 -9.188 1.00 0.00 N ATOM 732 CA GLY A 54 7.623 -14.924 -10.183 1.00 0.00 C ATOM 733 C GLY A 54 8.105 -13.553 -10.589 1.00 0.00 C ATOM 734 O GLY A 54 9.129 -13.426 -11.256 1.00 0.00 O ATOM 0 H GLY A 54 6.918 -14.870 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.465 -15.499 -9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.256 -15.449 -11.065 1.00 0.00 H new ATOM 738 N HIS A 55 7.405 -12.526 -10.181 1.00 0.00 N ATOM 739 CA HIS A 55 7.767 -11.181 -10.571 1.00 0.00 C ATOM 740 C HIS A 55 8.477 -10.480 -9.437 1.00 0.00 C ATOM 741 O HIS A 55 7.999 -10.504 -8.307 1.00 0.00 O ATOM 742 CB HIS A 55 6.525 -10.348 -10.942 1.00 0.00 C ATOM 743 CG HIS A 55 5.764 -10.772 -12.168 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.388 -9.902 -13.172 1.00 0.00 N ATOM 745 CD2 HIS A 55 5.255 -11.981 -12.521 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.682 -10.582 -14.074 1.00 0.00 C ATOM 747 NE2 HIS A 55 4.571 -11.856 -13.730 1.00 0.00 N ATOM 0 H HIS A 55 6.583 -12.591 -9.581 1.00 0.00 H new ATOM 0 HA HIS A 55 8.420 -11.264 -11.440 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.840 -10.364 -10.095 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.839 -9.313 -11.078 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.363 -12.894 -11.955 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.256 -10.151 -14.968 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.086 -12.593 -14.243 1.00 0.00 H new ATOM 755 N GLU A 56 9.640 -9.932 -9.725 1.00 0.00 N ATOM 756 CA GLU A 56 10.309 -9.041 -8.819 1.00 0.00 C ATOM 757 C GLU A 56 9.764 -7.653 -9.066 1.00 0.00 C ATOM 758 O GLU A 56 9.882 -7.121 -10.182 1.00 0.00 O ATOM 759 CB GLU A 56 11.821 -8.999 -9.051 1.00 0.00 C ATOM 760 CG GLU A 56 12.592 -10.205 -8.576 1.00 0.00 C ATOM 761 CD GLU A 56 12.269 -11.493 -9.275 1.00 0.00 C ATOM 762 OE1 GLU A 56 12.333 -11.556 -10.518 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.010 -12.491 -8.581 1.00 0.00 O ATOM 0 H GLU A 56 10.143 -10.097 -10.597 1.00 0.00 H new ATOM 0 HA GLU A 56 10.135 -9.391 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.002 -8.873 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.222 -8.116 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.657 -10.004 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.409 -10.335 -7.509 1.00 0.00 H new ATOM 770 N PHE A 57 9.132 -7.098 -8.080 1.00 0.00 N ATOM 771 CA PHE A 57 8.642 -5.762 -8.138 1.00 0.00 C ATOM 772 C PHE A 57 9.595 -4.950 -7.310 1.00 0.00 C ATOM 773 O PHE A 57 9.555 -5.023 -6.086 1.00 0.00 O ATOM 774 CB PHE A 57 7.246 -5.651 -7.507 1.00 0.00 C ATOM 775 CG PHE A 57 6.175 -6.530 -8.091 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.433 -6.112 -9.182 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.884 -7.761 -7.521 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.425 -6.906 -9.692 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.881 -8.557 -8.033 1.00 0.00 C ATOM 780 CZ PHE A 57 4.150 -8.128 -9.117 1.00 0.00 C ATOM 0 H PHE A 57 8.940 -7.572 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 57 8.570 -5.427 -9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.333 -5.879 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.917 -4.615 -7.585 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.644 -5.156 -9.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.450 -8.100 -6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.851 -6.569 -10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.669 -9.516 -7.584 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.361 -8.748 -9.517 1.00 0.00 H new ATOM 790 N GLU A 58 10.507 -4.260 -7.930 1.00 0.00 N ATOM 791 CA GLU A 58 11.369 -3.444 -7.146 1.00 0.00 C ATOM 792 C GLU A 58 10.744 -2.082 -7.115 1.00 0.00 C ATOM 793 O GLU A 58 10.583 -1.409 -8.126 1.00 0.00 O ATOM 794 CB GLU A 58 12.835 -3.451 -7.580 1.00 0.00 C ATOM 795 CG GLU A 58 13.715 -2.741 -6.574 1.00 0.00 C ATOM 796 CD GLU A 58 15.193 -2.978 -6.746 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.838 -2.300 -7.570 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.751 -3.833 -6.022 1.00 0.00 O ATOM 0 H GLU A 58 10.666 -4.247 -8.937 1.00 0.00 H new ATOM 0 HA GLU A 58 11.448 -3.853 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.175 -4.480 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.930 -2.968 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.524 -1.670 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.425 -3.058 -5.572 1.00 0.00 H new ATOM 805 N VAL A 59 10.301 -1.742 -5.958 1.00 0.00 N ATOM 806 CA VAL A 59 9.581 -0.530 -5.729 1.00 0.00 C ATOM 807 C VAL A 59 10.379 0.357 -4.832 1.00 0.00 C ATOM 808 O VAL A 59 11.345 -0.073 -4.192 1.00 0.00 O ATOM 809 CB VAL A 59 8.237 -0.821 -5.031 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.312 -1.624 -5.911 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.494 -1.594 -3.774 1.00 0.00 C ATOM 0 H VAL A 59 10.430 -2.309 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 59 9.401 -0.052 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 59 7.760 0.134 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.376 -1.808 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.109 -1.069 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.782 -2.576 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.547 -1.803 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.990 -2.533 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.132 -1.009 -3.111 1.00 0.00 H new ATOM 821 N GLU A 60 9.958 1.567 -4.789 1.00 0.00 N ATOM 822 CA GLU A 60 10.520 2.536 -3.919 1.00 0.00 C ATOM 823 C GLU A 60 9.356 3.092 -3.156 1.00 0.00 C ATOM 824 O GLU A 60 8.356 3.474 -3.767 1.00 0.00 O ATOM 825 CB GLU A 60 11.248 3.626 -4.719 1.00 0.00 C ATOM 826 CG GLU A 60 11.890 4.719 -3.872 1.00 0.00 C ATOM 827 CD GLU A 60 12.743 5.653 -4.697 1.00 0.00 C ATOM 828 OE1 GLU A 60 12.217 6.509 -5.426 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.980 5.552 -4.649 1.00 0.00 O ATOM 0 H GLU A 60 9.197 1.920 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 60 11.268 2.110 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.021 3.156 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.539 4.088 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.111 5.291 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.502 4.262 -3.095 1.00 0.00 H new ATOM 836 N ALA A 61 9.430 3.072 -1.845 1.00 0.00 N ATOM 837 CA ALA A 61 8.371 3.682 -1.064 1.00 0.00 C ATOM 838 C ALA A 61 8.610 5.176 -1.141 1.00 0.00 C ATOM 839 O ALA A 61 9.376 5.740 -0.375 1.00 0.00 O ATOM 840 CB ALA A 61 8.362 3.182 0.373 1.00 0.00 C ATOM 0 H ALA A 61 10.188 2.653 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 61 7.390 3.418 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.553 3.665 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.212 2.102 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.314 3.420 0.847 1.00 0.00 H new ATOM 846 N LYS A 62 8.010 5.761 -2.154 1.00 0.00 N ATOM 847 CA LYS A 62 8.212 7.143 -2.541 1.00 0.00 C ATOM 848 C LYS A 62 7.799 8.104 -1.448 1.00 0.00 C ATOM 849 O LYS A 62 8.600 8.910 -0.966 1.00 0.00 O ATOM 850 CB LYS A 62 7.362 7.448 -3.781 1.00 0.00 C ATOM 851 CG LYS A 62 7.527 6.482 -4.948 1.00 0.00 C ATOM 852 CD LYS A 62 8.909 6.502 -5.583 1.00 0.00 C ATOM 853 CE LYS A 62 9.231 7.854 -6.193 1.00 0.00 C ATOM 854 NZ LYS A 62 10.519 7.841 -6.918 1.00 0.00 N ATOM 0 H LYS A 62 7.345 5.272 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 62 9.276 7.275 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.313 7.457 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.605 8.453 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.313 5.471 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.786 6.721 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.658 6.255 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.966 5.733 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.433 8.143 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.265 8.608 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.893 8.810 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.198 7.240 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.374 7.465 -7.877 1.00 0.00 H new ATOM 868 N ASP A 63 6.547 8.005 -1.063 1.00 0.00 N ATOM 869 CA ASP A 63 5.968 8.944 -0.129 1.00 0.00 C ATOM 870 C ASP A 63 4.864 8.253 0.656 1.00 0.00 C ATOM 871 O ASP A 63 4.479 7.133 0.306 1.00 0.00 O ATOM 872 CB ASP A 63 5.454 10.167 -0.902 1.00 0.00 C ATOM 873 CG ASP A 63 5.020 11.303 -0.010 1.00 0.00 C ATOM 874 OD1 ASP A 63 3.816 11.476 0.195 1.00 0.00 O ATOM 875 OD2 ASP A 63 5.893 12.024 0.519 1.00 0.00 O ATOM 0 H ASP A 63 5.907 7.279 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 63 6.714 9.291 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.239 10.520 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.614 9.865 -1.527 1.00 0.00 H new ATOM 880 N GLN A 64 4.319 8.940 1.654 1.00 0.00 N ATOM 881 CA GLN A 64 3.316 8.415 2.580 1.00 0.00 C ATOM 882 C GLN A 64 1.974 8.051 1.948 1.00 0.00 C ATOM 883 O GLN A 64 1.100 7.501 2.630 1.00 0.00 O ATOM 884 CB GLN A 64 3.114 9.363 3.756 1.00 0.00 C ATOM 885 CG GLN A 64 2.787 10.799 3.372 1.00 0.00 C ATOM 886 CD GLN A 64 2.583 11.682 4.583 1.00 0.00 C ATOM 887 OE1 GLN A 64 3.527 12.260 5.109 1.00 0.00 O ATOM 888 NE2 GLN A 64 1.356 11.823 5.021 1.00 0.00 N ATOM 0 H GLN A 64 4.570 9.909 1.849 1.00 0.00 H new ATOM 0 HA GLN A 64 3.730 7.470 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.309 8.977 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.018 9.362 4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.595 11.203 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.886 10.813 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.591 11.329 4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.166 12.427 5.821 1.00 0.00 H new ATOM 897 N ASN A 65 1.786 8.378 0.670 1.00 0.00 N ATOM 898 CA ASN A 65 0.595 7.938 -0.061 1.00 0.00 C ATOM 899 C ASN A 65 0.609 6.424 -0.119 1.00 0.00 C ATOM 900 O ASN A 65 -0.433 5.768 -0.072 1.00 0.00 O ATOM 901 CB ASN A 65 0.576 8.451 -1.506 1.00 0.00 C ATOM 902 CG ASN A 65 0.468 9.950 -1.647 1.00 0.00 C ATOM 903 OD1 ASN A 65 1.475 10.646 -1.718 1.00 0.00 O ATOM 904 ND2 ASN A 65 -0.740 10.457 -1.716 1.00 0.00 N ATOM 0 H ASN A 65 2.436 8.941 0.122 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.279 8.331 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.485 8.118 -2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.262 7.990 -2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.865 11.463 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.554 9.846 -1.653 1.00 0.00 H new ATOM 911 N CYS A 66 1.823 5.888 -0.202 1.00 0.00 N ATOM 912 CA CYS A 66 2.083 4.460 -0.270 1.00 0.00 C ATOM 913 C CYS A 66 1.531 3.817 -1.520 1.00 0.00 C ATOM 914 O CYS A 66 1.142 2.660 -1.535 1.00 0.00 O ATOM 915 CB CYS A 66 1.655 3.748 1.010 1.00 0.00 C ATOM 916 SG CYS A 66 2.656 4.250 2.445 1.00 0.00 S ATOM 0 H CYS A 66 2.673 6.452 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 66 3.164 4.342 -0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.605 3.962 1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.739 2.670 0.870 1.00 0.00 H new ATOM 921 N LYS A 67 1.503 4.582 -2.575 1.00 0.00 N ATOM 922 CA LYS A 67 1.165 4.084 -3.848 1.00 0.00 C ATOM 923 C LYS A 67 2.321 3.219 -4.300 1.00 0.00 C ATOM 924 O LYS A 67 3.482 3.602 -4.130 1.00 0.00 O ATOM 925 CB LYS A 67 0.999 5.242 -4.821 1.00 0.00 C ATOM 926 CG LYS A 67 0.254 4.912 -6.101 1.00 0.00 C ATOM 927 CD LYS A 67 -1.183 4.579 -5.762 1.00 0.00 C ATOM 928 CE LYS A 67 -1.436 3.082 -5.646 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.793 2.788 -5.146 1.00 0.00 N ATOM 0 H LYS A 67 1.719 5.579 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 67 0.234 3.519 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.473 6.050 -4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.987 5.620 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.293 5.757 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.727 4.069 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.449 5.061 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.837 4.994 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.300 2.615 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.699 2.641 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.924 1.758 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.915 3.212 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.497 3.187 -5.799 1.00 0.00 H new ATOM 943 N VAL A 68 2.012 2.065 -4.825 1.00 0.00 N ATOM 944 CA VAL A 68 3.039 1.191 -5.334 1.00 0.00 C ATOM 945 C VAL A 68 3.602 1.755 -6.631 1.00 0.00 C ATOM 946 O VAL A 68 2.991 1.692 -7.705 1.00 0.00 O ATOM 947 CB VAL A 68 2.602 -0.297 -5.458 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.296 -0.454 -6.231 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.716 -1.113 -6.109 1.00 0.00 C ATOM 0 H VAL A 68 1.061 1.707 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 68 3.838 1.165 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 68 2.420 -0.673 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.033 -1.510 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.502 0.089 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.418 -0.053 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.403 -2.154 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.925 -0.716 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.616 -1.053 -5.497 1.00 0.00 H new ATOM 959 N ILE A 69 4.729 2.385 -6.489 1.00 0.00 N ATOM 960 CA ILE A 69 5.421 2.976 -7.590 1.00 0.00 C ATOM 961 C ILE A 69 6.729 2.252 -7.700 1.00 0.00 C ATOM 962 O ILE A 69 7.527 2.204 -6.753 1.00 0.00 O ATOM 963 CB ILE A 69 5.623 4.494 -7.388 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.255 5.156 -7.238 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.362 5.091 -8.580 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.283 6.608 -6.816 1.00 0.00 C ATOM 0 H ILE A 69 5.199 2.504 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 69 4.845 2.880 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 69 6.219 4.667 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.727 5.081 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.675 4.593 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.498 6.161 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.336 4.612 -8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.781 4.927 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.263 6.984 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.777 6.696 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.829 7.192 -7.557 1.00 0.00 H new ATOM 978 N LEU A 70 6.920 1.659 -8.836 1.00 0.00 N ATOM 979 CA LEU A 70 8.065 0.856 -9.096 1.00 0.00 C ATOM 980 C LEU A 70 9.248 1.731 -9.344 1.00 0.00 C ATOM 981 O LEU A 70 9.107 2.895 -9.740 1.00 0.00 O ATOM 982 CB LEU A 70 7.813 -0.067 -10.284 1.00 0.00 C ATOM 983 CG LEU A 70 6.992 -1.338 -10.042 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.748 -2.360 -9.238 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.650 -1.070 -9.408 1.00 0.00 C ATOM 0 H LEU A 70 6.271 1.723 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 70 8.268 0.232 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.311 0.513 -11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.781 -0.366 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 70 6.807 -1.746 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.125 -3.242 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.657 -2.641 -9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.011 -1.938 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.121 -2.012 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.794 -0.584 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.064 -0.420 -10.058 1.00 0.00 H new ATOM 997 N THR A 71 10.393 1.166 -9.138 1.00 0.00 N ATOM 998 CA THR A 71 11.659 1.889 -9.311 1.00 0.00 C ATOM 999 C THR A 71 11.872 2.326 -10.744 1.00 0.00 C ATOM 1000 O THR A 71 12.485 3.356 -11.026 1.00 0.00 O ATOM 1001 CB THR A 71 12.848 1.040 -8.881 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.773 -0.236 -9.529 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.813 0.865 -7.394 1.00 0.00 C ATOM 0 H THR A 71 10.502 0.195 -8.846 1.00 0.00 H new ATOM 0 HA THR A 71 11.590 2.772 -8.676 1.00 0.00 H new ATOM 0 HB THR A 71 13.780 1.530 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.133 -0.807 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.662 0.258 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.866 1.841 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.886 0.369 -7.108 1.00 0.00 H new ATOM 1011 N ASN A 72 11.297 1.570 -11.644 1.00 0.00 N ATOM 1012 CA ASN A 72 11.456 1.817 -13.051 1.00 0.00 C ATOM 1013 C ASN A 72 10.308 2.667 -13.551 1.00 0.00 C ATOM 1014 O ASN A 72 10.138 2.884 -14.746 1.00 0.00 O ATOM 1015 CB ASN A 72 11.604 0.495 -13.805 1.00 0.00 C ATOM 1016 CG ASN A 72 10.402 -0.419 -13.764 1.00 0.00 C ATOM 1017 OD1 ASN A 72 9.580 -0.372 -12.849 1.00 0.00 O ATOM 1018 ND2 ASN A 72 10.316 -1.293 -14.733 1.00 0.00 N ATOM 0 H ASN A 72 10.707 0.768 -11.421 1.00 0.00 H new ATOM 0 HA ASN A 72 12.371 2.380 -13.235 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.834 0.716 -14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.460 -0.042 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.549 -1.965 -14.747 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.016 -1.302 -15.475 1.00 0.00 H new ATOM 1025 N GLY A 73 9.498 3.118 -12.602 1.00 0.00 N ATOM 1026 CA GLY A 73 8.466 4.074 -12.888 1.00 0.00 C ATOM 1027 C GLY A 73 7.178 3.436 -13.290 1.00 0.00 C ATOM 1028 O GLY A 73 6.253 4.121 -13.741 1.00 0.00 O ATOM 0 H GLY A 73 9.546 2.828 -11.625 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.299 4.695 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.802 4.736 -13.686 1.00 0.00 H new ATOM 1032 N LYS A 74 7.095 2.127 -13.182 1.00 0.00 N ATOM 1033 CA LYS A 74 5.864 1.494 -13.528 1.00 0.00 C ATOM 1034 C LYS A 74 4.832 1.558 -12.432 1.00 0.00 C ATOM 1035 O LYS A 74 5.102 1.941 -11.281 1.00 0.00 O ATOM 1036 CB LYS A 74 6.047 0.044 -13.904 1.00 0.00 C ATOM 1037 CG LYS A 74 7.038 -0.194 -14.999 1.00 0.00 C ATOM 1038 CD LYS A 74 7.021 -1.639 -15.432 1.00 0.00 C ATOM 1039 CE LYS A 74 7.170 -2.620 -14.275 1.00 0.00 C ATOM 1040 NZ LYS A 74 7.130 -4.034 -14.728 1.00 0.00 N ATOM 0 H LYS A 74 7.842 1.508 -12.868 1.00 0.00 H new ATOM 0 HA LYS A 74 5.507 2.061 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.362 -0.510 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.083 -0.363 -14.209 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.808 0.448 -15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.037 0.076 -14.657 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.086 -1.843 -15.953 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.827 -1.806 -16.146 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.112 -2.432 -13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.373 -2.450 -13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.235 -4.664 -13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.221 -4.223 -15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.906 -4.206 -15.398 1.00 0.00 H new ATOM 1054 N GLN A 75 3.654 1.195 -12.849 1.00 0.00 N ATOM 1055 CA GLN A 75 2.520 0.982 -12.002 1.00 0.00 C ATOM 1056 C GLN A 75 2.480 -0.505 -11.766 1.00 0.00 C ATOM 1057 O GLN A 75 2.945 -1.291 -12.610 1.00 0.00 O ATOM 1058 CB GLN A 75 1.209 1.388 -12.677 1.00 0.00 C ATOM 1059 CG GLN A 75 1.055 2.860 -12.980 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.282 3.146 -13.625 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -1.280 3.406 -12.941 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -0.332 3.096 -14.935 1.00 0.00 N ATOM 0 H GLN A 75 3.450 1.032 -13.835 1.00 0.00 H new ATOM 0 HA GLN A 75 2.615 1.576 -11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.115 0.832 -13.610 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.382 1.079 -12.038 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.149 3.436 -12.059 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.858 3.184 -13.642 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.509 2.879 -15.470 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.212 3.274 -15.419 1.00 0.00 H new ATOM 1071 N ALA A 76 1.963 -0.897 -10.660 1.00 0.00 N ATOM 1072 CA ALA A 76 1.894 -2.290 -10.354 1.00 0.00 C ATOM 1073 C ALA A 76 0.454 -2.773 -10.438 1.00 0.00 C ATOM 1074 O ALA A 76 -0.460 -1.931 -10.490 1.00 0.00 O ATOM 1075 CB ALA A 76 2.535 -2.560 -9.012 1.00 0.00 C ATOM 0 H ALA A 76 1.579 -0.277 -9.946 1.00 0.00 H new ATOM 0 HA ALA A 76 2.459 -2.861 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.477 -3.625 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.580 -2.252 -9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.011 -1.998 -8.239 1.00 0.00 H new ATOM 1081 N PRO A 77 0.232 -4.108 -10.502 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.104 -4.708 -10.562 1.00 0.00 C ATOM 1083 C PRO A 77 -2.092 -4.146 -9.551 1.00 0.00 C ATOM 1084 O PRO A 77 -1.723 -3.773 -8.441 1.00 0.00 O ATOM 1085 CB PRO A 77 -0.820 -6.159 -10.233 1.00 0.00 C ATOM 1086 CG PRO A 77 0.513 -6.411 -10.812 1.00 0.00 C ATOM 1087 CD PRO A 77 1.281 -5.160 -10.550 1.00 0.00 C ATOM 0 HA PRO A 77 -1.574 -4.521 -11.527 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.825 -6.331 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.572 -6.819 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.990 -7.274 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.448 -6.620 -11.880 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.834 -5.218 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.009 -4.964 -11.337 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.355 -4.153 -9.943 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.489 -3.629 -9.167 1.00 0.00 C ATOM 1097 C ASP A 78 -4.604 -4.290 -7.787 1.00 0.00 C ATOM 1098 O ASP A 78 -5.158 -3.721 -6.841 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.774 -3.851 -9.981 1.00 0.00 C ATOM 1100 CG ASP A 78 -7.030 -3.280 -9.353 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -7.223 -2.046 -9.401 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.875 -4.052 -8.849 1.00 0.00 O ATOM 0 H ASP A 78 -3.640 -4.537 -10.844 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.330 -2.566 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.644 -3.407 -10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.913 -4.922 -10.129 1.00 0.00 H new ATOM 1107 N TRP A 79 -4.053 -5.483 -7.674 1.00 0.00 N ATOM 1108 CA TRP A 79 -4.068 -6.249 -6.442 1.00 0.00 C ATOM 1109 C TRP A 79 -2.868 -5.955 -5.549 1.00 0.00 C ATOM 1110 O TRP A 79 -2.847 -6.335 -4.383 1.00 0.00 O ATOM 1111 CB TRP A 79 -4.166 -7.743 -6.752 1.00 0.00 C ATOM 1112 CG TRP A 79 -3.179 -8.274 -7.748 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -3.406 -8.410 -9.074 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.839 -8.746 -7.520 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -2.318 -8.958 -9.698 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -1.335 -9.170 -8.767 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -1.018 -8.854 -6.394 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 -0.053 -9.694 -8.916 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.255 -9.371 -6.547 1.00 0.00 C ATOM 1120 CH2 TRP A 79 0.725 -9.786 -7.797 1.00 0.00 C ATOM 0 H TRP A 79 -3.577 -5.953 -8.444 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.950 -5.941 -5.881 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.045 -8.296 -5.820 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.171 -7.953 -7.119 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.321 -8.125 -9.573 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.250 -9.173 -10.693 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.371 -8.540 -5.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.312 -10.016 -9.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.899 -9.456 -5.684 1.00 0.00 H new ATOM 0 HH2 TRP A 79 1.724 -10.188 -7.879 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.885 -5.281 -6.077 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.704 -4.986 -5.323 1.00 0.00 C ATOM 1133 C LEU A 80 -0.928 -3.643 -4.661 1.00 0.00 C ATOM 1134 O LEU A 80 -1.061 -2.622 -5.332 1.00 0.00 O ATOM 1135 CB LEU A 80 0.532 -4.967 -6.234 1.00 0.00 C ATOM 1136 CG LEU A 80 1.875 -4.861 -5.512 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.067 -6.032 -4.587 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.029 -4.814 -6.484 1.00 0.00 C ATOM 0 H LEU A 80 -1.881 -4.925 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.519 -5.751 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.533 -5.876 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.442 -4.128 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 80 1.860 -3.932 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.028 -5.942 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.267 -6.046 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.046 -6.958 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.966 -4.739 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.034 -5.722 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.921 -3.947 -7.136 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.005 -3.645 -3.357 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.312 -2.431 -2.630 1.00 0.00 C ATOM 1152 C ALA A 81 -0.295 -2.166 -1.568 1.00 0.00 C ATOM 1153 O ALA A 81 0.447 -3.056 -1.167 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.669 -2.529 -1.960 1.00 0.00 C ATOM 0 H ALA A 81 -0.861 -4.469 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.310 -1.619 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.876 -1.605 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.438 -2.688 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.670 -3.365 -1.261 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.271 -0.943 -1.119 1.00 0.00 N ATOM 1161 CA ALA A 82 0.562 -0.555 -0.017 1.00 0.00 C ATOM 1162 C ALA A 82 -0.165 0.483 0.819 1.00 0.00 C ATOM 1163 O ALA A 82 -0.890 1.336 0.288 1.00 0.00 O ATOM 1164 CB ALA A 82 1.925 -0.065 -0.483 1.00 0.00 C ATOM 0 H ALA A 82 -0.831 -0.185 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 82 0.756 -1.429 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.525 0.219 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.430 -0.861 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.798 0.799 -1.136 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.035 0.371 2.116 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.641 1.290 3.056 1.00 0.00 C ATOM 1172 C GLU A 83 0.321 1.412 4.223 1.00 0.00 C ATOM 1173 O GLU A 83 0.998 0.441 4.516 1.00 0.00 O ATOM 1174 CB GLU A 83 -2.015 0.753 3.496 1.00 0.00 C ATOM 1175 CG GLU A 83 -2.002 -0.673 4.005 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.346 -1.123 4.510 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -4.157 -1.679 3.737 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.626 -0.951 5.702 1.00 0.00 O ATOM 0 H GLU A 83 0.503 -0.373 2.560 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.815 2.272 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.410 1.401 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.702 0.817 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.679 -1.337 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.269 -0.761 4.807 1.00 0.00 H new ATOM 1185 N PRO A 84 0.478 2.586 4.848 1.00 0.00 N ATOM 1186 CA PRO A 84 1.396 2.753 5.974 1.00 0.00 C ATOM 1187 C PRO A 84 0.990 1.924 7.194 1.00 0.00 C ATOM 1188 O PRO A 84 -0.186 1.883 7.584 1.00 0.00 O ATOM 1189 CB PRO A 84 1.378 4.263 6.212 1.00 0.00 C ATOM 1190 CG PRO A 84 0.035 4.676 5.750 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.179 3.863 4.513 1.00 0.00 C ATOM 0 HA PRO A 84 2.401 2.384 5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.531 4.504 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.166 4.766 5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.728 4.471 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.005 5.745 5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.238 3.729 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.270 4.332 3.637 1.00 0.00 H new ATOM 1199 N TYR A 85 1.985 1.261 7.759 1.00 0.00 N ATOM 1200 CA TYR A 85 1.823 0.302 8.842 1.00 0.00 C ATOM 1201 C TYR A 85 1.172 0.935 10.064 1.00 0.00 C ATOM 1202 O TYR A 85 0.066 0.525 10.438 1.00 0.00 O ATOM 1203 CB TYR A 85 3.166 -0.432 9.118 1.00 0.00 C ATOM 1204 CG TYR A 85 4.043 0.021 10.273 1.00 0.00 C ATOM 1205 CD1 TYR A 85 4.038 -0.655 11.491 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.892 1.096 10.135 1.00 0.00 C ATOM 1207 CE1 TYR A 85 4.863 -0.260 12.531 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.716 1.501 11.165 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.703 0.821 12.360 1.00 0.00 C ATOM 1210 OH TYR A 85 6.533 1.227 13.389 1.00 0.00 O ATOM 1211 OXT TYR A 85 1.697 1.916 10.598 1.00 0.00 O ATOM 0 H TYR A 85 2.956 1.378 7.469 1.00 0.00 H new ATOM 0 HA TYR A 85 1.119 -0.473 8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.936 -1.486 9.277 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.765 -0.370 8.209 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.380 -1.501 11.627 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.914 1.635 9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.849 -0.795 13.469 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.370 2.350 11.033 1.00 0.00 H new ATOM 0 HH TYR A 85 7.058 2.002 13.099 1.00 0.00 H new TER 1221 TYR A 85