USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 55 SER OG : rot 180:sc= 0.0679 USER MOD Set 1.2: A 59 GLN : amide:sc= -3.51 K(o=-3.4,f=-5.4!) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.92! K(o=-4.1!,f=1.4) USER MOD Set 2.2: A 47 TYR OH : rot 165:sc= -2.22! USER MOD Set 3.1: A 25 SER OG : rot 110:sc= 0.902 USER MOD Set 3.2: A 30 SER OG : rot 99:sc= 0.982 USER MOD Single : A 7 ASN : amide:sc= -0.34 K(o=-0.34,f=0.3) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00451) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 146:sc= -2.36 (180deg=-4.26!) USER MOD Single : A 14 ASN : amide:sc= -3.68 K(o=-3.7,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 35 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.0088) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.096 X(o=-0.096,f=-0.054) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.069) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.598 USER MOD Single : A 66 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 -12.428 12.377 -4.459 1.00 0.00 N ATOM 38 CA PRO A 3 -11.280 11.848 -3.681 1.00 0.00 C ATOM 39 C PRO A 3 -9.967 12.486 -4.146 1.00 0.00 C ATOM 40 O PRO A 3 -9.371 12.066 -5.123 1.00 0.00 O ATOM 41 CB PRO A 3 -11.270 10.349 -3.966 1.00 0.00 C ATOM 42 CG PRO A 3 -12.002 10.158 -5.303 1.00 0.00 C ATOM 43 CD PRO A 3 -12.841 11.427 -5.530 1.00 0.00 C ATOM 0 HA PRO A 3 -11.374 12.068 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.249 9.971 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.768 9.798 -3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.291 10.013 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.638 9.273 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.657 11.847 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.907 11.208 -5.470 1.00 0.00 H new ATOM 51 N ALA A 4 -9.503 13.488 -3.439 1.00 0.00 N ATOM 52 CA ALA A 4 -8.218 14.146 -3.819 1.00 0.00 C ATOM 53 C ALA A 4 -7.081 13.121 -3.733 1.00 0.00 C ATOM 54 O ALA A 4 -6.080 13.236 -4.413 1.00 0.00 O ATOM 55 CB ALA A 4 -7.933 15.308 -2.865 1.00 0.00 C ATOM 0 H ALA A 4 -9.961 13.877 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.291 14.528 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.994 15.787 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.743 16.035 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.858 14.931 -1.845 1.00 0.00 H new ATOM 61 N PHE A 5 -7.238 12.113 -2.906 1.00 0.00 N ATOM 62 CA PHE A 5 -6.181 11.069 -2.775 1.00 0.00 C ATOM 63 C PHE A 5 -6.100 10.270 -4.079 1.00 0.00 C ATOM 64 O PHE A 5 -5.033 9.869 -4.499 1.00 0.00 O ATOM 65 CB PHE A 5 -6.537 10.132 -1.613 1.00 0.00 C ATOM 66 CG PHE A 5 -5.453 9.090 -1.439 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.270 9.415 -0.765 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.634 7.801 -1.953 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.269 8.451 -0.605 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.632 6.836 -1.794 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.449 7.161 -1.119 1.00 0.00 C ATOM 0 H PHE A 5 -8.058 11.972 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.217 11.538 -2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.652 10.706 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.493 9.646 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.130 10.410 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.547 7.550 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.357 8.702 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.771 5.842 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.676 6.417 -0.995 1.00 0.00 H new ATOM 81 N VAL A 6 -7.220 10.041 -4.719 1.00 0.00 N ATOM 82 CA VAL A 6 -7.210 9.275 -6.000 1.00 0.00 C ATOM 83 C VAL A 6 -6.567 10.140 -7.086 1.00 0.00 C ATOM 84 O VAL A 6 -5.873 9.645 -7.956 1.00 0.00 O ATOM 85 CB VAL A 6 -8.647 8.916 -6.398 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.644 8.104 -7.697 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.287 8.080 -5.288 1.00 0.00 C ATOM 0 H VAL A 6 -8.140 10.352 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.639 8.354 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.215 9.834 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.669 7.854 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.188 8.693 -8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.073 7.187 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.309 7.824 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.711 7.166 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.298 8.654 -4.361 1.00 0.00 H new ATOM 97 N ASN A 7 -6.789 11.431 -7.036 1.00 0.00 N ATOM 98 CA ASN A 7 -6.187 12.340 -8.058 1.00 0.00 C ATOM 99 C ASN A 7 -4.659 12.257 -7.979 1.00 0.00 C ATOM 100 O ASN A 7 -3.984 12.089 -8.978 1.00 0.00 O ATOM 101 CB ASN A 7 -6.633 13.779 -7.788 1.00 0.00 C ATOM 102 CG ASN A 7 -8.133 13.909 -8.059 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.945 13.564 -7.224 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.538 14.397 -9.199 1.00 0.00 N ATOM 0 H ASN A 7 -7.362 11.894 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.517 12.037 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.415 14.051 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.077 14.468 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.536 14.489 -9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.857 14.687 -9.901 1.00 0.00 H new ATOM 111 N LYS A 8 -4.115 12.372 -6.794 1.00 0.00 N ATOM 112 CA LYS A 8 -2.633 12.300 -6.627 1.00 0.00 C ATOM 113 C LYS A 8 -2.152 10.854 -6.807 1.00 0.00 C ATOM 114 O LYS A 8 -0.993 10.611 -7.085 1.00 0.00 O ATOM 115 CB LYS A 8 -2.263 12.782 -5.222 1.00 0.00 C ATOM 116 CG LYS A 8 -3.040 11.972 -4.182 1.00 0.00 C ATOM 117 CD LYS A 8 -2.360 12.099 -2.817 1.00 0.00 C ATOM 118 CE LYS A 8 -2.461 13.545 -2.330 1.00 0.00 C ATOM 119 NZ LYS A 8 -3.810 13.778 -1.740 1.00 0.00 N ATOM 0 H LYS A 8 -4.638 12.514 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.157 12.931 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.191 12.670 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.493 13.842 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.068 12.330 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.084 10.925 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.833 11.428 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.314 11.801 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.688 13.745 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.291 14.232 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.862 14.746 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.536 13.653 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.975 13.098 -0.971 1.00 0.00 H new ATOM 133 N LEU A 9 -3.031 9.896 -6.646 1.00 0.00 N ATOM 134 CA LEU A 9 -2.632 8.468 -6.801 1.00 0.00 C ATOM 135 C LEU A 9 -2.313 8.193 -8.268 1.00 0.00 C ATOM 136 O LEU A 9 -1.377 7.485 -8.591 1.00 0.00 O ATOM 137 CB LEU A 9 -3.793 7.575 -6.355 1.00 0.00 C ATOM 138 CG LEU A 9 -3.367 6.106 -6.404 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.320 5.841 -5.322 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.590 5.219 -6.157 1.00 0.00 C ATOM 0 H LEU A 9 -4.013 10.045 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.753 8.259 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.100 7.840 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.656 7.735 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.941 5.881 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.017 4.795 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.451 6.476 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.744 6.063 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.292 4.171 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.012 5.445 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.338 5.409 -6.927 1.00 0.00 H new ATOM 152 N TRP A 10 -3.094 8.745 -9.157 1.00 0.00 N ATOM 153 CA TRP A 10 -2.867 8.528 -10.615 1.00 0.00 C ATOM 154 C TRP A 10 -1.593 9.259 -11.078 1.00 0.00 C ATOM 155 O TRP A 10 -1.164 9.095 -12.205 1.00 0.00 O ATOM 156 CB TRP A 10 -4.062 9.089 -11.390 1.00 0.00 C ATOM 157 CG TRP A 10 -5.115 8.040 -11.596 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.099 8.129 -12.520 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.326 6.769 -10.898 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.899 7.005 -12.439 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.466 6.137 -11.457 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.657 6.106 -9.850 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -6.920 4.901 -10.998 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.115 4.862 -9.385 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.243 4.262 -9.958 1.00 0.00 C ATOM 0 H TRP A 10 -3.889 9.344 -8.932 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.753 7.460 -10.800 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.487 9.933 -10.847 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.727 9.467 -12.356 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.237 8.948 -13.211 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.711 6.837 -13.033 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.785 6.558 -9.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.789 4.441 -11.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.594 4.365 -8.580 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.589 3.305 -9.595 1.00 0.00 H new ATOM 176 N SER A 11 -0.994 10.075 -10.236 1.00 0.00 N ATOM 177 CA SER A 11 0.232 10.820 -10.659 1.00 0.00 C ATOM 178 C SER A 11 1.498 10.034 -10.295 1.00 0.00 C ATOM 179 O SER A 11 2.495 10.119 -10.987 1.00 0.00 O ATOM 180 CB SER A 11 0.256 12.189 -9.971 1.00 0.00 C ATOM 181 OG SER A 11 -0.142 13.186 -10.903 1.00 0.00 O ATOM 0 H SER A 11 -1.302 10.254 -9.280 1.00 0.00 H new ATOM 0 HA SER A 11 0.208 10.951 -11.741 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.414 12.189 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.257 12.403 -9.596 1.00 0.00 H new ATOM 0 HG SER A 11 -0.130 14.064 -10.468 1.00 0.00 H new ATOM 187 N MET A 12 1.481 9.279 -9.221 1.00 0.00 N ATOM 188 CA MET A 12 2.706 8.506 -8.843 1.00 0.00 C ATOM 189 C MET A 12 2.672 7.116 -9.478 1.00 0.00 C ATOM 190 O MET A 12 3.695 6.583 -9.867 1.00 0.00 O ATOM 191 CB MET A 12 2.820 8.373 -7.319 1.00 0.00 C ATOM 192 CG MET A 12 1.680 7.517 -6.736 1.00 0.00 C ATOM 193 SD MET A 12 1.319 8.056 -5.038 1.00 0.00 S ATOM 194 CE MET A 12 1.858 6.557 -4.162 1.00 0.00 C ATOM 0 H MET A 12 0.682 9.166 -8.597 1.00 0.00 H new ATOM 0 HA MET A 12 3.575 9.050 -9.212 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.780 7.924 -7.064 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.801 9.364 -6.865 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.788 7.611 -7.355 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.963 6.464 -6.742 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.288 6.833 -3.199 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.002 5.901 -4.003 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.608 6.037 -4.758 1.00 0.00 H new ATOM 204 N VAL A 13 1.510 6.523 -9.576 1.00 0.00 N ATOM 205 CA VAL A 13 1.422 5.161 -10.175 1.00 0.00 C ATOM 206 C VAL A 13 1.641 5.229 -11.694 1.00 0.00 C ATOM 207 O VAL A 13 1.773 4.209 -12.343 1.00 0.00 O ATOM 208 CB VAL A 13 0.053 4.534 -9.884 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.075 3.054 -10.301 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.260 4.640 -8.384 1.00 0.00 C ATOM 0 H VAL A 13 0.623 6.922 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 13 2.200 4.543 -9.728 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.715 5.063 -10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.896 2.604 -10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.292 2.979 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.845 2.528 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.234 4.193 -8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.506 4.113 -7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.274 5.689 -8.089 1.00 0.00 H new ATOM 220 N ASN A 14 1.697 6.414 -12.272 1.00 0.00 N ATOM 221 CA ASN A 14 1.926 6.516 -13.748 1.00 0.00 C ATOM 222 C ASN A 14 3.257 5.839 -14.110 1.00 0.00 C ATOM 223 O ASN A 14 3.474 5.451 -15.241 1.00 0.00 O ATOM 224 CB ASN A 14 1.970 7.988 -14.172 1.00 0.00 C ATOM 225 CG ASN A 14 2.983 8.756 -13.316 1.00 0.00 C ATOM 226 OD1 ASN A 14 3.651 8.187 -12.476 1.00 0.00 O ATOM 227 ND2 ASN A 14 3.125 10.040 -13.496 1.00 0.00 N ATOM 0 H ASN A 14 1.594 7.305 -11.786 1.00 0.00 H new ATOM 0 HA ASN A 14 1.109 6.018 -14.270 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.242 8.063 -15.225 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.981 8.434 -14.066 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.795 10.563 -12.932 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.566 10.521 -14.200 1.00 0.00 H new ATOM 234 N ASP A 15 4.143 5.683 -13.150 1.00 0.00 N ATOM 235 CA ASP A 15 5.459 5.018 -13.414 1.00 0.00 C ATOM 236 C ASP A 15 6.339 5.921 -14.277 1.00 0.00 C ATOM 237 O ASP A 15 7.041 5.458 -15.151 1.00 0.00 O ATOM 238 CB ASP A 15 5.256 3.672 -14.127 1.00 0.00 C ATOM 239 CG ASP A 15 4.112 2.905 -13.464 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.208 2.652 -12.274 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.160 2.584 -14.154 1.00 0.00 O ATOM 0 H ASP A 15 4.007 5.992 -12.187 1.00 0.00 H new ATOM 0 HA ASP A 15 5.947 4.839 -12.456 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.033 3.838 -15.181 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.173 3.085 -14.084 1.00 0.00 H new ATOM 246 N LYS A 16 6.310 7.205 -14.037 1.00 0.00 N ATOM 247 CA LYS A 16 7.164 8.128 -14.835 1.00 0.00 C ATOM 248 C LYS A 16 8.492 8.354 -14.101 1.00 0.00 C ATOM 249 O LYS A 16 9.538 7.921 -14.548 1.00 0.00 O ATOM 250 CB LYS A 16 6.435 9.459 -15.041 1.00 0.00 C ATOM 251 CG LYS A 16 5.560 9.365 -16.294 1.00 0.00 C ATOM 252 CD LYS A 16 4.766 10.664 -16.469 1.00 0.00 C ATOM 253 CE LYS A 16 3.367 10.343 -17.004 1.00 0.00 C ATOM 254 NZ LYS A 16 2.669 11.608 -17.364 1.00 0.00 N ATOM 0 H LYS A 16 5.733 7.652 -13.325 1.00 0.00 H new ATOM 0 HA LYS A 16 7.368 7.688 -15.811 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.821 9.690 -14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.156 10.270 -15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.182 9.187 -17.171 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.878 8.519 -16.210 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.691 11.187 -15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.286 11.330 -17.158 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.440 9.695 -17.877 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.794 9.801 -16.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.719 11.389 -17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.587 12.211 -16.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.213 12.108 -18.096 1.00 0.00 H new ATOM 268 N SER A 17 8.455 9.029 -12.976 1.00 0.00 N ATOM 269 CA SER A 17 9.711 9.287 -12.203 1.00 0.00 C ATOM 270 C SER A 17 9.991 8.135 -11.219 1.00 0.00 C ATOM 271 O SER A 17 10.903 8.211 -10.417 1.00 0.00 O ATOM 272 CB SER A 17 9.561 10.601 -11.426 1.00 0.00 C ATOM 273 OG SER A 17 10.588 11.500 -11.823 1.00 0.00 O ATOM 0 H SER A 17 7.607 9.413 -12.560 1.00 0.00 H new ATOM 0 HA SER A 17 10.547 9.357 -12.899 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.582 11.041 -11.618 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.621 10.412 -10.354 1.00 0.00 H new ATOM 0 HG SER A 17 10.495 12.342 -11.330 1.00 0.00 H new ATOM 279 N ASN A 18 9.222 7.074 -11.273 1.00 0.00 N ATOM 280 CA ASN A 18 9.447 5.923 -10.345 1.00 0.00 C ATOM 281 C ASN A 18 9.287 4.624 -11.142 1.00 0.00 C ATOM 282 O ASN A 18 8.849 3.614 -10.621 1.00 0.00 O ATOM 283 CB ASN A 18 8.405 5.958 -9.218 1.00 0.00 C ATOM 284 CG ASN A 18 8.292 7.377 -8.646 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.219 7.876 -8.041 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.184 8.049 -8.817 1.00 0.00 N ATOM 0 H ASN A 18 8.445 6.956 -11.923 1.00 0.00 H new ATOM 0 HA ASN A 18 10.445 5.982 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.436 5.633 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.688 5.261 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.097 8.994 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.406 7.629 -9.325 1.00 0.00 H new ATOM 293 N GLU A 19 9.622 4.662 -12.409 1.00 0.00 N ATOM 294 CA GLU A 19 9.479 3.461 -13.286 1.00 0.00 C ATOM 295 C GLU A 19 10.474 2.366 -12.874 1.00 0.00 C ATOM 296 O GLU A 19 11.542 2.241 -13.433 1.00 0.00 O ATOM 297 CB GLU A 19 9.726 3.891 -14.741 1.00 0.00 C ATOM 298 CG GLU A 19 11.140 4.459 -14.897 1.00 0.00 C ATOM 299 CD GLU A 19 11.138 5.539 -15.980 1.00 0.00 C ATOM 300 OE1 GLU A 19 10.633 5.268 -17.058 1.00 0.00 O ATOM 301 OE2 GLU A 19 11.639 6.618 -15.714 1.00 0.00 O ATOM 0 H GLU A 19 9.994 5.488 -12.878 1.00 0.00 H new ATOM 0 HA GLU A 19 8.475 3.049 -13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.594 3.038 -15.406 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.992 4.641 -15.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.482 4.878 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.836 3.663 -15.163 1.00 0.00 H new ATOM 308 N LYS A 20 10.106 1.558 -11.908 1.00 0.00 N ATOM 309 CA LYS A 20 10.992 0.445 -11.434 1.00 0.00 C ATOM 310 C LYS A 20 10.399 -0.149 -10.150 1.00 0.00 C ATOM 311 O LYS A 20 10.565 -1.321 -9.869 1.00 0.00 O ATOM 312 CB LYS A 20 12.412 0.963 -11.113 1.00 0.00 C ATOM 313 CG LYS A 20 13.305 -0.206 -10.677 1.00 0.00 C ATOM 314 CD LYS A 20 14.633 0.334 -10.145 1.00 0.00 C ATOM 315 CE LYS A 20 15.439 -0.813 -9.530 1.00 0.00 C ATOM 316 NZ LYS A 20 16.870 -0.410 -9.419 1.00 0.00 N ATOM 0 H LYS A 20 9.213 1.624 -11.419 1.00 0.00 H new ATOM 0 HA LYS A 20 11.055 -0.303 -12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.838 1.451 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.366 1.712 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.804 -0.792 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.484 -0.874 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.199 0.799 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.451 1.107 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.043 -1.063 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.349 -1.707 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.419 -1.189 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.244 -0.192 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.948 0.432 -8.813 1.00 0.00 H new ATOM 330 N PHE A 21 9.739 0.661 -9.356 1.00 0.00 N ATOM 331 CA PHE A 21 9.172 0.149 -8.068 1.00 0.00 C ATOM 332 C PHE A 21 7.682 -0.177 -8.221 1.00 0.00 C ATOM 333 O PHE A 21 7.143 -0.978 -7.479 1.00 0.00 O ATOM 334 CB PHE A 21 9.356 1.210 -6.977 1.00 0.00 C ATOM 335 CG PHE A 21 10.794 1.678 -6.963 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.832 0.750 -6.810 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.088 3.038 -7.112 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.162 1.183 -6.805 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.419 3.471 -7.106 1.00 0.00 C ATOM 340 CZ PHE A 21 13.457 2.543 -6.953 1.00 0.00 C ATOM 0 H PHE A 21 9.569 1.649 -9.543 1.00 0.00 H new ATOM 0 HA PHE A 21 9.699 -0.765 -7.792 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.690 2.053 -7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.088 0.797 -6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.605 -0.300 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.288 3.753 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.962 0.467 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.646 4.521 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.484 2.877 -6.949 1.00 0.00 H new ATOM 350 N ILE A 22 7.010 0.434 -9.164 1.00 0.00 N ATOM 351 CA ILE A 22 5.553 0.152 -9.348 1.00 0.00 C ATOM 352 C ILE A 22 5.206 0.197 -10.841 1.00 0.00 C ATOM 353 O ILE A 22 5.881 0.841 -11.622 1.00 0.00 O ATOM 354 CB ILE A 22 4.737 1.200 -8.573 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.236 0.940 -8.762 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.085 2.605 -9.076 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.443 1.617 -7.638 1.00 0.00 C ATOM 0 H ILE A 22 7.406 1.114 -9.813 1.00 0.00 H new ATOM 0 HA ILE A 22 5.313 -0.840 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 22 4.981 1.127 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.911 1.323 -9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.041 -0.132 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.504 3.344 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.148 2.793 -8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.851 2.680 -10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.379 1.428 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.759 1.214 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.627 2.691 -7.659 1.00 0.00 H new ATOM 369 N HIS A 23 4.158 -0.486 -11.239 1.00 0.00 N ATOM 370 CA HIS A 23 3.768 -0.483 -12.680 1.00 0.00 C ATOM 371 C HIS A 23 2.353 -1.035 -12.853 1.00 0.00 C ATOM 372 O HIS A 23 1.892 -1.858 -12.085 1.00 0.00 O ATOM 373 CB HIS A 23 4.752 -1.340 -13.481 1.00 0.00 C ATOM 374 CG HIS A 23 4.873 -2.702 -12.852 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.086 -3.772 -13.245 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.687 -3.181 -11.855 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.440 -4.833 -12.497 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.411 -4.528 -11.633 1.00 0.00 N ATOM 0 H HIS A 23 3.560 -1.043 -10.628 1.00 0.00 H new ATOM 0 HA HIS A 23 3.792 0.543 -13.046 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.410 -1.435 -14.512 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.728 -0.856 -13.512 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.368 -3.758 -13.970 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.428 -2.602 -11.324 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.993 -5.812 -12.585 1.00 0.00 H new ATOM 386 N TRP A 24 1.666 -0.579 -13.870 1.00 0.00 N ATOM 387 CA TRP A 24 0.278 -1.056 -14.131 1.00 0.00 C ATOM 388 C TRP A 24 0.313 -2.508 -14.612 1.00 0.00 C ATOM 389 O TRP A 24 1.197 -2.903 -15.350 1.00 0.00 O ATOM 390 CB TRP A 24 -0.353 -0.194 -15.231 1.00 0.00 C ATOM 391 CG TRP A 24 -0.762 1.142 -14.690 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.083 1.864 -13.764 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.931 1.935 -15.046 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.768 3.041 -13.525 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.912 3.131 -14.291 1.00 0.00 C ATOM 396 CE3 TRP A 24 -2.998 1.730 -15.940 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.917 4.090 -14.419 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.010 2.694 -16.070 1.00 0.00 C ATOM 399 CH2 TRP A 24 -3.969 3.872 -15.312 1.00 0.00 C ATOM 0 H TRP A 24 2.013 0.111 -14.536 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.304 -0.984 -13.212 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.358 -0.059 -16.046 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.222 -0.705 -15.646 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.842 1.568 -13.291 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.465 3.755 -12.863 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.039 0.826 -16.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.882 4.995 -13.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -4.825 2.527 -16.758 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.750 4.611 -15.418 1.00 0.00 H new ATOM 410 N SER A 25 -0.654 -3.296 -14.218 1.00 0.00 N ATOM 411 CA SER A 25 -0.699 -4.717 -14.668 1.00 0.00 C ATOM 412 C SER A 25 -1.488 -4.779 -15.982 1.00 0.00 C ATOM 413 O SER A 25 -1.590 -3.792 -16.688 1.00 0.00 O ATOM 414 CB SER A 25 -1.389 -5.566 -13.596 1.00 0.00 C ATOM 415 OG SER A 25 -2.783 -5.293 -13.606 1.00 0.00 O ATOM 0 H SER A 25 -1.416 -3.014 -13.602 1.00 0.00 H new ATOM 0 HA SER A 25 0.308 -5.103 -14.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.213 -6.625 -13.785 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.970 -5.344 -12.614 1.00 0.00 H new ATOM 0 HG SER A 25 -3.266 -6.071 -13.954 1.00 0.00 H new ATOM 468 N SER A 30 -5.398 -2.178 -11.915 1.00 0.00 N ATOM 469 CA SER A 30 -4.660 -3.047 -10.951 1.00 0.00 C ATOM 470 C SER A 30 -3.219 -2.547 -10.821 1.00 0.00 C ATOM 471 O SER A 30 -2.563 -2.260 -11.805 1.00 0.00 O ATOM 472 CB SER A 30 -4.662 -4.498 -11.449 1.00 0.00 C ATOM 473 OG SER A 30 -4.999 -4.532 -12.831 1.00 0.00 O ATOM 0 HA SER A 30 -5.150 -3.006 -9.978 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.681 -4.947 -11.293 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.377 -5.088 -10.876 1.00 0.00 H new ATOM 0 HG SER A 30 -4.181 -4.602 -13.366 1.00 0.00 H new ATOM 479 N ILE A 31 -2.726 -2.443 -9.612 1.00 0.00 N ATOM 480 CA ILE A 31 -1.327 -1.963 -9.408 1.00 0.00 C ATOM 481 C ILE A 31 -0.474 -3.117 -8.876 1.00 0.00 C ATOM 482 O ILE A 31 -0.898 -3.867 -8.016 1.00 0.00 O ATOM 483 CB ILE A 31 -1.324 -0.809 -8.401 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.268 0.293 -8.888 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.092 -0.241 -8.278 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.522 1.290 -7.756 1.00 0.00 C ATOM 0 H ILE A 31 -3.234 -2.670 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.915 -1.612 -10.354 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.656 -1.175 -7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.833 0.805 -9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.210 -0.142 -9.221 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.094 0.580 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.769 -1.023 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.423 0.125 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.194 2.074 -8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.976 0.773 -6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.577 1.735 -7.444 1.00 0.00 H new ATOM 498 N VAL A 32 0.723 -3.267 -9.385 1.00 0.00 N ATOM 499 CA VAL A 32 1.607 -4.376 -8.917 1.00 0.00 C ATOM 500 C VAL A 32 2.860 -3.794 -8.261 1.00 0.00 C ATOM 501 O VAL A 32 3.558 -2.984 -8.841 1.00 0.00 O ATOM 502 CB VAL A 32 2.006 -5.245 -10.113 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.790 -6.465 -9.624 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.742 -5.713 -10.840 1.00 0.00 C ATOM 0 H VAL A 32 1.126 -2.668 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 32 1.072 -4.985 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 32 2.629 -4.664 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.073 -7.082 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.688 -6.135 -9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.169 -7.048 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.021 -6.332 -11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.123 -6.294 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.181 -4.846 -11.189 1.00 0.00 H new ATOM 514 N VAL A 33 3.147 -4.206 -7.051 1.00 0.00 N ATOM 515 CA VAL A 33 4.352 -3.686 -6.340 1.00 0.00 C ATOM 516 C VAL A 33 5.354 -4.833 -6.140 1.00 0.00 C ATOM 517 O VAL A 33 5.323 -5.502 -5.124 1.00 0.00 O ATOM 518 CB VAL A 33 3.929 -3.123 -4.976 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.152 -2.584 -4.225 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.927 -1.987 -5.187 1.00 0.00 C ATOM 0 H VAL A 33 2.595 -4.883 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 33 4.819 -2.896 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 33 3.471 -3.919 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.840 -2.187 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.869 -3.390 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.618 -1.791 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.624 -1.585 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.391 -1.198 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.051 -2.367 -5.712 1.00 0.00 H new ATOM 530 N PRO A 34 6.218 -5.020 -7.116 1.00 0.00 N ATOM 531 CA PRO A 34 7.211 -6.111 -6.972 1.00 0.00 C ATOM 532 C PRO A 34 8.205 -5.771 -5.857 1.00 0.00 C ATOM 533 O PRO A 34 8.623 -6.631 -5.104 1.00 0.00 O ATOM 534 CB PRO A 34 7.917 -6.181 -8.328 1.00 0.00 C ATOM 535 CG PRO A 34 7.720 -4.806 -8.987 1.00 0.00 C ATOM 536 CD PRO A 34 6.502 -4.166 -8.301 1.00 0.00 C ATOM 0 HA PRO A 34 6.752 -7.063 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.977 -6.405 -8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.494 -6.973 -8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.607 -4.185 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.552 -4.910 -10.059 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.714 -3.139 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.646 -4.132 -8.974 1.00 0.00 H new ATOM 544 N ASN A 35 8.575 -4.521 -5.745 1.00 0.00 N ATOM 545 CA ASN A 35 9.534 -4.109 -4.679 1.00 0.00 C ATOM 546 C ASN A 35 8.867 -3.072 -3.774 1.00 0.00 C ATOM 547 O ASN A 35 9.075 -1.883 -3.918 1.00 0.00 O ATOM 548 CB ASN A 35 10.785 -3.501 -5.320 1.00 0.00 C ATOM 549 CG ASN A 35 11.846 -4.587 -5.500 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.271 -4.860 -6.605 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.294 -5.224 -4.453 1.00 0.00 N ATOM 0 H ASN A 35 8.252 -3.765 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 35 9.820 -4.980 -4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.534 -3.060 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.174 -2.698 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.001 -5.951 -4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.937 -4.995 -3.525 1.00 0.00 H new ATOM 558 N ARG A 36 8.060 -3.518 -2.844 1.00 0.00 N ATOM 559 CA ARG A 36 7.368 -2.569 -1.924 1.00 0.00 C ATOM 560 C ARG A 36 8.350 -2.083 -0.856 1.00 0.00 C ATOM 561 O ARG A 36 8.242 -0.977 -0.359 1.00 0.00 O ATOM 562 CB ARG A 36 6.194 -3.287 -1.253 1.00 0.00 C ATOM 563 CG ARG A 36 5.388 -2.294 -0.405 1.00 0.00 C ATOM 564 CD ARG A 36 3.887 -2.524 -0.621 1.00 0.00 C ATOM 565 NE ARG A 36 3.186 -2.501 0.694 1.00 0.00 N ATOM 566 CZ ARG A 36 2.797 -1.366 1.206 1.00 0.00 C ATOM 567 NH1 ARG A 36 3.671 -0.552 1.732 1.00 0.00 N ATOM 568 NH2 ARG A 36 1.533 -1.042 1.191 1.00 0.00 N ATOM 0 H ARG A 36 7.851 -4.503 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 36 7.000 -1.713 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.552 -3.737 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.564 -4.098 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.636 -2.417 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.651 -1.272 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.481 -1.753 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.723 -3.481 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 36 3.010 -3.373 1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.660 -0.803 1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.366 0.335 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.849 -1.676 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.229 -0.154 1.591 1.00 0.00 H new ATOM 582 N GLU A 37 9.299 -2.908 -0.498 1.00 0.00 N ATOM 583 CA GLU A 37 10.293 -2.513 0.543 1.00 0.00 C ATOM 584 C GLU A 37 11.219 -1.417 -0.001 1.00 0.00 C ATOM 585 O GLU A 37 11.689 -0.572 0.737 1.00 0.00 O ATOM 586 CB GLU A 37 11.124 -3.739 0.944 1.00 0.00 C ATOM 587 CG GLU A 37 11.840 -4.312 -0.284 1.00 0.00 C ATOM 588 CD GLU A 37 12.773 -5.442 0.151 1.00 0.00 C ATOM 589 OE1 GLU A 37 13.444 -5.276 1.156 1.00 0.00 O ATOM 590 OE2 GLU A 37 12.799 -6.455 -0.528 1.00 0.00 O ATOM 0 H GLU A 37 9.429 -3.843 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 37 9.765 -2.128 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.854 -3.461 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.478 -4.498 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.110 -4.685 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.409 -3.529 -0.785 1.00 0.00 H new ATOM 597 N ARG A 38 11.490 -1.433 -1.282 1.00 0.00 N ATOM 598 CA ARG A 38 12.393 -0.401 -1.877 1.00 0.00 C ATOM 599 C ARG A 38 11.592 0.865 -2.191 1.00 0.00 C ATOM 600 O ARG A 38 12.063 1.974 -2.007 1.00 0.00 O ATOM 601 CB ARG A 38 13.006 -0.944 -3.170 1.00 0.00 C ATOM 602 CG ARG A 38 14.224 -0.100 -3.548 1.00 0.00 C ATOM 603 CD ARG A 38 15.398 -0.461 -2.636 1.00 0.00 C ATOM 604 NE ARG A 38 16.256 -1.473 -3.314 1.00 0.00 N ATOM 605 CZ ARG A 38 16.746 -2.473 -2.633 1.00 0.00 C ATOM 606 NH1 ARG A 38 15.945 -3.338 -2.075 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.037 -2.606 -2.510 1.00 0.00 N ATOM 0 H ARG A 38 11.124 -2.118 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 38 13.185 -0.163 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.299 -1.986 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.269 -0.920 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.492 -0.275 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.989 0.960 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.981 0.430 -2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.030 -0.856 -1.689 1.00 0.00 H new ATOM 0 HE ARG A 38 16.460 -1.384 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.935 -3.233 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.329 -4.119 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.663 -1.929 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.421 -3.387 -1.978 1.00 0.00 H new ATOM 621 N PHE A 39 10.381 0.705 -2.663 1.00 0.00 N ATOM 622 CA PHE A 39 9.522 1.886 -2.999 1.00 0.00 C ATOM 623 C PHE A 39 9.471 2.852 -1.805 1.00 0.00 C ATOM 624 O PHE A 39 9.971 3.957 -1.868 1.00 0.00 O ATOM 625 CB PHE A 39 8.103 1.386 -3.327 1.00 0.00 C ATOM 626 CG PHE A 39 7.156 2.550 -3.539 1.00 0.00 C ATOM 627 CD1 PHE A 39 7.024 3.132 -4.805 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.405 3.039 -2.463 1.00 0.00 C ATOM 629 CE1 PHE A 39 6.141 4.201 -4.994 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.525 4.111 -2.651 1.00 0.00 C ATOM 631 CZ PHE A 39 5.391 4.691 -3.918 1.00 0.00 C ATOM 0 H PHE A 39 9.945 -0.202 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 39 9.938 2.413 -3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.130 0.766 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.737 0.758 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.603 2.756 -5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.505 2.588 -1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.038 4.649 -5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.950 4.490 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.710 5.516 -4.065 1.00 0.00 H new ATOM 641 N VAL A 40 8.862 2.433 -0.727 1.00 0.00 N ATOM 642 CA VAL A 40 8.747 3.304 0.485 1.00 0.00 C ATOM 643 C VAL A 40 10.107 3.902 0.854 1.00 0.00 C ATOM 644 O VAL A 40 10.237 5.097 1.021 1.00 0.00 O ATOM 645 CB VAL A 40 8.229 2.466 1.657 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.973 3.366 2.875 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.926 1.772 1.245 1.00 0.00 C ATOM 0 H VAL A 40 8.433 1.512 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 40 8.056 4.118 0.268 1.00 0.00 H new ATOM 0 HB VAL A 40 8.975 1.717 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.605 2.761 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.902 3.855 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.230 4.122 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.554 1.174 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.183 2.523 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.114 1.125 0.388 1.00 0.00 H new ATOM 657 N GLN A 41 11.105 3.063 0.988 1.00 0.00 N ATOM 658 CA GLN A 41 12.484 3.522 1.367 1.00 0.00 C ATOM 659 C GLN A 41 12.895 4.809 0.636 1.00 0.00 C ATOM 660 O GLN A 41 13.434 5.716 1.244 1.00 0.00 O ATOM 661 CB GLN A 41 13.488 2.419 1.023 1.00 0.00 C ATOM 662 CG GLN A 41 14.676 2.486 1.986 1.00 0.00 C ATOM 663 CD GLN A 41 15.431 1.155 1.954 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.565 0.495 2.966 1.00 0.00 O ATOM 665 NE2 GLN A 41 15.933 0.730 0.827 1.00 0.00 N ATOM 0 H GLN A 41 11.022 2.056 0.848 1.00 0.00 H new ATOM 0 HA GLN A 41 12.478 3.733 2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.008 1.443 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.833 2.535 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.342 3.301 1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.327 2.695 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.821 1.284 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.438 -0.156 0.795 1.00 0.00 H new ATOM 674 N GLU A 42 12.673 4.892 -0.654 1.00 0.00 N ATOM 675 CA GLU A 42 13.094 6.125 -1.391 1.00 0.00 C ATOM 676 C GLU A 42 11.975 6.660 -2.293 1.00 0.00 C ATOM 677 O GLU A 42 12.246 7.202 -3.349 1.00 0.00 O ATOM 678 CB GLU A 42 14.319 5.801 -2.249 1.00 0.00 C ATOM 679 CG GLU A 42 15.517 5.516 -1.343 1.00 0.00 C ATOM 680 CD GLU A 42 16.217 6.831 -0.998 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.587 7.670 -0.375 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.372 6.977 -1.365 1.00 0.00 O ATOM 0 H GLU A 42 12.226 4.172 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 42 13.330 6.894 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.115 4.937 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.542 6.636 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.187 5.017 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.212 4.841 -1.842 1.00 0.00 H new ATOM 689 N VAL A 43 10.730 6.544 -1.890 1.00 0.00 N ATOM 690 CA VAL A 43 9.626 7.082 -2.749 1.00 0.00 C ATOM 691 C VAL A 43 8.403 7.479 -1.900 1.00 0.00 C ATOM 692 O VAL A 43 7.756 8.464 -2.190 1.00 0.00 O ATOM 693 CB VAL A 43 9.216 6.037 -3.804 1.00 0.00 C ATOM 694 CG1 VAL A 43 8.133 6.625 -4.706 1.00 0.00 C ATOM 695 CG2 VAL A 43 10.425 5.665 -4.669 1.00 0.00 C ATOM 0 H VAL A 43 10.434 6.107 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 43 9.996 7.975 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 43 8.842 5.149 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.842 5.887 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.265 6.894 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.518 7.514 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.127 4.926 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.800 6.556 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.210 5.248 -4.038 1.00 0.00 H new ATOM 705 N LEU A 44 8.070 6.735 -0.871 1.00 0.00 N ATOM 706 CA LEU A 44 6.869 7.106 -0.047 1.00 0.00 C ATOM 707 C LEU A 44 7.076 8.482 0.634 1.00 0.00 C ATOM 708 O LEU A 44 6.180 9.310 0.606 1.00 0.00 O ATOM 709 CB LEU A 44 6.620 6.030 1.022 1.00 0.00 C ATOM 710 CG LEU A 44 5.416 6.415 1.890 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.154 6.471 1.026 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.229 5.373 2.992 1.00 0.00 C ATOM 0 H LEU A 44 8.568 5.898 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 44 6.003 7.172 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.440 5.067 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.506 5.915 1.646 1.00 0.00 H new ATOM 0 HG LEU A 44 5.593 7.393 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.300 6.745 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.284 7.214 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.977 5.494 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.373 5.646 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.055 4.395 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.125 5.333 3.611 1.00 0.00 H new ATOM 724 N PRO A 45 8.232 8.679 1.248 1.00 0.00 N ATOM 725 CA PRO A 45 8.448 9.979 1.935 1.00 0.00 C ATOM 726 C PRO A 45 8.619 11.120 0.928 1.00 0.00 C ATOM 727 O PRO A 45 8.355 12.266 1.240 1.00 0.00 O ATOM 728 CB PRO A 45 9.719 9.785 2.762 1.00 0.00 C ATOM 729 CG PRO A 45 10.482 8.626 2.107 1.00 0.00 C ATOM 730 CD PRO A 45 9.452 7.829 1.295 1.00 0.00 C ATOM 0 HA PRO A 45 7.594 10.254 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.322 10.693 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.477 9.555 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.278 9.000 1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.953 7.996 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.822 7.619 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.242 6.868 1.765 1.00 0.00 H new ATOM 738 N LYS A 46 9.028 10.821 -0.280 1.00 0.00 N ATOM 739 CA LYS A 46 9.176 11.898 -1.302 1.00 0.00 C ATOM 740 C LYS A 46 7.780 12.316 -1.790 1.00 0.00 C ATOM 741 O LYS A 46 7.624 13.305 -2.481 1.00 0.00 O ATOM 742 CB LYS A 46 10.005 11.369 -2.482 1.00 0.00 C ATOM 743 CG LYS A 46 11.285 12.197 -2.628 1.00 0.00 C ATOM 744 CD LYS A 46 12.433 11.296 -3.088 1.00 0.00 C ATOM 745 CE LYS A 46 13.733 11.742 -2.415 1.00 0.00 C ATOM 746 NZ LYS A 46 14.824 10.789 -2.758 1.00 0.00 N ATOM 0 H LYS A 46 9.264 9.882 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 46 9.683 12.759 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.255 10.320 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.421 11.420 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.130 13.000 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.537 12.666 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.218 10.258 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.537 11.346 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.998 12.747 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.599 11.784 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.707 11.093 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.571 9.837 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.957 10.770 -3.789 1.00 0.00 H new ATOM 760 N TYR A 47 6.768 11.557 -1.441 1.00 0.00 N ATOM 761 CA TYR A 47 5.388 11.874 -1.879 1.00 0.00 C ATOM 762 C TYR A 47 4.689 12.709 -0.806 1.00 0.00 C ATOM 763 O TYR A 47 4.351 13.858 -1.018 1.00 0.00 O ATOM 764 CB TYR A 47 4.620 10.562 -2.041 1.00 0.00 C ATOM 765 CG TYR A 47 5.063 9.772 -3.266 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.305 9.988 -3.910 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.203 8.792 -3.753 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.652 9.220 -5.030 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.560 8.031 -4.862 1.00 0.00 C ATOM 770 CZ TYR A 47 5.774 8.248 -5.501 1.00 0.00 C ATOM 771 OH TYR A 47 6.114 7.483 -6.592 1.00 0.00 O ATOM 0 H TYR A 47 6.850 10.721 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 47 5.418 12.428 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.759 9.951 -1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.554 10.776 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.983 10.742 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.253 8.621 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.598 9.382 -5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.889 7.267 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 47 5.518 6.707 -6.646 1.00 0.00 H new ATOM 781 N PHE A 48 4.459 12.120 0.343 1.00 0.00 N ATOM 782 CA PHE A 48 3.766 12.854 1.442 1.00 0.00 C ATOM 783 C PHE A 48 4.795 13.348 2.462 1.00 0.00 C ATOM 784 O PHE A 48 5.987 13.318 2.219 1.00 0.00 O ATOM 785 CB PHE A 48 2.772 11.913 2.132 1.00 0.00 C ATOM 786 CG PHE A 48 1.794 11.374 1.113 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.168 10.320 0.269 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.514 11.930 1.015 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.258 9.824 -0.674 1.00 0.00 C ATOM 790 CE2 PHE A 48 -0.395 11.434 0.072 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.023 10.381 -0.773 1.00 0.00 C ATOM 0 H PHE A 48 4.723 11.160 0.565 1.00 0.00 H new ATOM 0 HA PHE A 48 3.233 13.709 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.305 11.091 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.237 12.446 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.156 9.891 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.227 12.742 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.545 9.011 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.383 11.864 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.724 9.999 -1.501 1.00 0.00 H new ATOM 801 N LYS A 49 4.338 13.798 3.603 1.00 0.00 N ATOM 802 CA LYS A 49 5.278 14.295 4.650 1.00 0.00 C ATOM 803 C LYS A 49 5.102 13.464 5.925 1.00 0.00 C ATOM 804 O LYS A 49 4.027 13.404 6.490 1.00 0.00 O ATOM 805 CB LYS A 49 4.967 15.763 4.958 1.00 0.00 C ATOM 806 CG LYS A 49 5.328 16.631 3.750 1.00 0.00 C ATOM 807 CD LYS A 49 5.535 18.079 4.207 1.00 0.00 C ATOM 808 CE LYS A 49 5.244 19.042 3.050 1.00 0.00 C ATOM 809 NZ LYS A 49 4.125 19.948 3.432 1.00 0.00 N ATOM 0 H LYS A 49 3.350 13.842 3.854 1.00 0.00 H new ATOM 0 HA LYS A 49 6.303 14.205 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.910 15.878 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.530 16.088 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.234 16.255 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.535 16.583 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.879 18.300 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.559 18.216 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.134 19.625 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.983 18.482 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.925 20.602 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.276 19.384 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.392 20.491 4.278 1.00 0.00 H new ATOM 823 N HIS A 50 6.150 12.825 6.380 1.00 0.00 N ATOM 824 CA HIS A 50 6.057 11.995 7.624 1.00 0.00 C ATOM 825 C HIS A 50 4.984 10.913 7.456 1.00 0.00 C ATOM 826 O HIS A 50 4.245 10.614 8.375 1.00 0.00 O ATOM 827 CB HIS A 50 5.696 12.895 8.808 1.00 0.00 C ATOM 828 CG HIS A 50 6.789 13.906 9.020 1.00 0.00 C ATOM 829 ND1 HIS A 50 7.880 13.656 9.838 1.00 0.00 N ATOM 830 CD2 HIS A 50 6.975 15.172 8.524 1.00 0.00 C ATOM 831 CE1 HIS A 50 8.666 14.747 9.810 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.161 15.702 9.025 1.00 0.00 N ATOM 0 H HIS A 50 7.071 12.841 5.943 1.00 0.00 H new ATOM 0 HA HIS A 50 7.018 11.515 7.807 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.749 13.401 8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.562 12.294 9.708 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.303 15.680 7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.593 14.840 10.356 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.559 16.622 8.834 1.00 0.00 H new ATOM 840 N SER A 51 4.899 10.325 6.290 1.00 0.00 N ATOM 841 CA SER A 51 3.881 9.259 6.053 1.00 0.00 C ATOM 842 C SER A 51 4.545 7.886 6.178 1.00 0.00 C ATOM 843 O SER A 51 5.756 7.769 6.143 1.00 0.00 O ATOM 844 CB SER A 51 3.296 9.417 4.649 1.00 0.00 C ATOM 845 OG SER A 51 2.110 8.642 4.543 1.00 0.00 O ATOM 0 H SER A 51 5.494 10.539 5.489 1.00 0.00 H new ATOM 0 HA SER A 51 3.083 9.346 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.077 10.466 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.022 9.095 3.902 1.00 0.00 H new ATOM 0 HG SER A 51 1.732 8.743 3.644 1.00 0.00 H new ATOM 851 N ASN A 52 3.761 6.846 6.324 1.00 0.00 N ATOM 852 CA ASN A 52 4.340 5.475 6.454 1.00 0.00 C ATOM 853 C ASN A 52 3.529 4.489 5.609 1.00 0.00 C ATOM 854 O ASN A 52 2.422 4.775 5.194 1.00 0.00 O ATOM 855 CB ASN A 52 4.297 5.037 7.920 1.00 0.00 C ATOM 856 CG ASN A 52 5.267 5.888 8.741 1.00 0.00 C ATOM 857 OD1 ASN A 52 4.869 6.541 9.685 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.531 5.908 8.421 1.00 0.00 N ATOM 0 H ASN A 52 2.742 6.889 6.359 1.00 0.00 H new ATOM 0 HA ASN A 52 5.373 5.489 6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.285 5.142 8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.563 3.983 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.186 6.472 8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.865 5.360 7.628 1.00 0.00 H new ATOM 865 N PHE A 53 4.076 3.327 5.356 1.00 0.00 N ATOM 866 CA PHE A 53 3.353 2.301 4.538 1.00 0.00 C ATOM 867 C PHE A 53 1.990 1.987 5.163 1.00 0.00 C ATOM 868 O PHE A 53 1.055 1.620 4.479 1.00 0.00 O ATOM 869 CB PHE A 53 4.182 1.009 4.466 1.00 0.00 C ATOM 870 CG PHE A 53 4.729 0.656 5.833 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.896 0.070 6.797 1.00 0.00 C ATOM 872 CD2 PHE A 53 6.071 0.917 6.136 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.407 -0.253 8.060 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.580 0.594 7.399 1.00 0.00 C ATOM 875 CZ PHE A 53 5.748 0.009 8.362 1.00 0.00 C ATOM 0 H PHE A 53 4.999 3.041 5.683 1.00 0.00 H new ATOM 0 HA PHE A 53 3.207 2.700 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.563 0.193 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.003 1.135 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.861 -0.132 6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.714 1.368 5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.765 -0.705 8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.615 0.796 7.631 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.141 -0.240 9.337 1.00 0.00 H new ATOM 885 N ALA A 54 1.878 2.128 6.458 1.00 0.00 N ATOM 886 CA ALA A 54 0.581 1.841 7.139 1.00 0.00 C ATOM 887 C ALA A 54 -0.472 2.861 6.695 1.00 0.00 C ATOM 888 O ALA A 54 -1.612 2.517 6.440 1.00 0.00 O ATOM 889 CB ALA A 54 0.774 1.932 8.653 1.00 0.00 C ATOM 0 H ALA A 54 2.632 2.431 7.075 1.00 0.00 H new ATOM 0 HA ALA A 54 0.245 0.839 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.171 1.723 9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.521 1.204 8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.111 2.935 8.917 1.00 0.00 H new ATOM 895 N SER A 55 -0.097 4.112 6.603 1.00 0.00 N ATOM 896 CA SER A 55 -1.071 5.162 6.182 1.00 0.00 C ATOM 897 C SER A 55 -1.433 4.968 4.710 1.00 0.00 C ATOM 898 O SER A 55 -2.547 5.230 4.297 1.00 0.00 O ATOM 899 CB SER A 55 -0.444 6.545 6.374 1.00 0.00 C ATOM 900 OG SER A 55 -1.462 7.477 6.717 1.00 0.00 O ATOM 0 H SER A 55 0.844 4.451 6.802 1.00 0.00 H new ATOM 0 HA SER A 55 -1.973 5.082 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.312 6.509 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.060 6.859 5.460 1.00 0.00 H new ATOM 0 HG SER A 55 -1.065 8.364 6.842 1.00 0.00 H new ATOM 906 N PHE A 56 -0.499 4.514 3.916 1.00 0.00 N ATOM 907 CA PHE A 56 -0.775 4.304 2.465 1.00 0.00 C ATOM 908 C PHE A 56 -1.827 3.205 2.295 1.00 0.00 C ATOM 909 O PHE A 56 -2.717 3.304 1.471 1.00 0.00 O ATOM 910 CB PHE A 56 0.522 3.891 1.758 1.00 0.00 C ATOM 911 CG PHE A 56 0.285 3.771 0.268 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.382 4.790 -0.422 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.734 2.638 -0.422 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.600 4.679 -1.800 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.516 2.527 -1.801 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.151 3.547 -2.490 1.00 0.00 C ATOM 0 H PHE A 56 0.448 4.279 4.212 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.150 5.229 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.302 4.627 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.876 2.940 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.729 5.663 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.248 1.850 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.114 5.466 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.863 1.654 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.319 3.460 -3.553 1.00 0.00 H new ATOM 926 N VAL A 57 -1.721 2.156 3.066 1.00 0.00 N ATOM 927 CA VAL A 57 -2.697 1.033 2.962 1.00 0.00 C ATOM 928 C VAL A 57 -4.058 1.472 3.508 1.00 0.00 C ATOM 929 O VAL A 57 -5.089 0.985 3.082 1.00 0.00 O ATOM 930 CB VAL A 57 -2.182 -0.163 3.771 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.113 -1.361 3.569 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.768 -0.531 3.302 1.00 0.00 C ATOM 0 H VAL A 57 -0.994 2.028 3.769 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.808 0.748 1.916 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.157 0.102 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.744 -2.210 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.117 -1.102 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.142 -1.625 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.403 -1.381 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.792 -0.793 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.103 0.320 3.450 1.00 0.00 H new ATOM 942 N ARG A 58 -4.070 2.382 4.450 1.00 0.00 N ATOM 943 CA ARG A 58 -5.366 2.849 5.030 1.00 0.00 C ATOM 944 C ARG A 58 -6.160 3.622 3.972 1.00 0.00 C ATOM 945 O ARG A 58 -7.329 3.366 3.759 1.00 0.00 O ATOM 946 CB ARG A 58 -5.091 3.759 6.230 1.00 0.00 C ATOM 947 CG ARG A 58 -4.794 2.896 7.458 1.00 0.00 C ATOM 948 CD ARG A 58 -4.216 3.769 8.573 1.00 0.00 C ATOM 949 NE ARG A 58 -5.327 4.371 9.362 1.00 0.00 N ATOM 950 CZ ARG A 58 -6.000 3.640 10.206 1.00 0.00 C ATOM 951 NH1 ARG A 58 -5.426 3.200 11.292 1.00 0.00 N ATOM 952 NH2 ARG A 58 -7.250 3.350 9.967 1.00 0.00 N ATOM 0 H ARG A 58 -3.238 2.822 4.842 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.946 1.985 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.246 4.415 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.952 4.400 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.706 2.408 7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.089 2.107 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.577 3.171 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.591 4.554 8.147 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.561 5.356 9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.450 3.428 11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.953 2.628 11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.701 3.695 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.776 2.778 10.628 1.00 0.00 H new ATOM 966 N GLN A 59 -5.535 4.566 3.315 1.00 0.00 N ATOM 967 CA GLN A 59 -6.251 5.364 2.273 1.00 0.00 C ATOM 968 C GLN A 59 -6.730 4.443 1.148 1.00 0.00 C ATOM 969 O GLN A 59 -7.844 4.557 0.675 1.00 0.00 O ATOM 970 CB GLN A 59 -5.303 6.419 1.699 1.00 0.00 C ATOM 971 CG GLN A 59 -5.244 7.623 2.642 1.00 0.00 C ATOM 972 CD GLN A 59 -4.407 7.277 3.874 1.00 0.00 C ATOM 973 OE1 GLN A 59 -4.873 6.600 4.771 1.00 0.00 O ATOM 974 NE2 GLN A 59 -3.183 7.717 3.959 1.00 0.00 N ATOM 0 H GLN A 59 -4.557 4.819 3.456 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.113 5.853 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.307 5.996 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.646 6.733 0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.811 8.480 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.251 7.909 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.792 8.285 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.616 7.494 4.777 1.00 0.00 H new ATOM 983 N LEU A 60 -5.893 3.534 0.715 1.00 0.00 N ATOM 984 CA LEU A 60 -6.288 2.601 -0.385 1.00 0.00 C ATOM 985 C LEU A 60 -7.540 1.812 0.015 1.00 0.00 C ATOM 986 O LEU A 60 -8.425 1.591 -0.790 1.00 0.00 O ATOM 987 CB LEU A 60 -5.140 1.628 -0.660 1.00 0.00 C ATOM 988 CG LEU A 60 -3.961 2.388 -1.269 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.727 1.486 -1.302 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.315 2.812 -2.696 1.00 0.00 C ATOM 0 H LEU A 60 -4.949 3.397 1.077 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.505 3.180 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.833 1.141 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.470 0.843 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.749 3.269 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.889 2.031 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.473 1.179 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.938 0.603 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.476 3.354 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.528 1.927 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.193 3.457 -2.677 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.614 1.384 1.248 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.801 0.602 1.707 1.00 0.00 C ATOM 1004 C ASN A 61 -10.003 1.534 1.912 1.00 0.00 C ATOM 1005 O ASN A 61 -11.140 1.098 1.898 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.467 -0.095 3.027 1.00 0.00 C ATOM 1007 CG ASN A 61 -9.349 -1.333 3.188 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -10.526 -1.224 3.465 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.825 -2.517 3.024 1.00 0.00 N ATOM 0 H ASN A 61 -6.901 1.543 1.960 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.054 -0.140 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.415 -0.380 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.625 0.588 3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.404 -3.350 3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.836 -2.609 2.791 1.00 0.00 H new ATOM 1016 N MET A 62 -9.764 2.808 2.111 1.00 0.00 N ATOM 1017 CA MET A 62 -10.892 3.763 2.325 1.00 0.00 C ATOM 1018 C MET A 62 -11.611 4.058 1.002 1.00 0.00 C ATOM 1019 O MET A 62 -12.706 4.592 0.998 1.00 0.00 O ATOM 1020 CB MET A 62 -10.345 5.075 2.897 1.00 0.00 C ATOM 1021 CG MET A 62 -10.268 4.982 4.423 1.00 0.00 C ATOM 1022 SD MET A 62 -9.056 6.180 5.035 1.00 0.00 S ATOM 1023 CE MET A 62 -9.303 5.876 6.802 1.00 0.00 C ATOM 0 H MET A 62 -8.834 3.226 2.134 1.00 0.00 H new ATOM 0 HA MET A 62 -11.600 3.313 3.021 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.356 5.278 2.485 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.988 5.906 2.606 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.246 5.181 4.861 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.983 3.974 4.724 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.641 6.522 7.378 1.00 0.00 H new ATOM 0 HE2 MET A 62 -10.339 6.089 7.066 1.00 0.00 H new ATOM 0 HE3 MET A 62 -9.078 4.833 7.027 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.011 3.732 -0.118 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.667 4.013 -1.427 1.00 0.00 C ATOM 1035 C TYR A 63 -12.212 2.717 -2.031 1.00 0.00 C ATOM 1036 O TYR A 63 -13.333 2.672 -2.502 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.643 4.644 -2.372 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.269 6.009 -1.846 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.214 7.041 -1.846 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.979 6.243 -1.352 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.872 8.306 -1.354 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.637 7.510 -0.859 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.584 8.540 -0.860 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.247 9.788 -0.375 1.00 0.00 O ATOM 0 H TYR A 63 -10.097 3.284 -0.179 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.499 4.701 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.758 4.012 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.058 4.728 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.209 6.861 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.248 5.448 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.602 9.102 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.643 7.691 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.568 9.694 0.326 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.433 1.665 -2.020 1.00 0.00 N ATOM 1055 CA GLY A 64 -11.915 0.370 -2.593 1.00 0.00 C ATOM 1056 C GLY A 64 -10.759 -0.368 -3.267 1.00 0.00 C ATOM 1057 O GLY A 64 -10.864 -0.795 -4.401 1.00 0.00 O ATOM 0 H GLY A 64 -10.487 1.646 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.342 -0.249 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.709 0.556 -3.316 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.660 -0.523 -2.576 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.493 -1.236 -3.169 1.00 0.00 C ATOM 1063 C TRP A 65 -8.223 -2.515 -2.372 1.00 0.00 C ATOM 1064 O TRP A 65 -7.554 -2.495 -1.356 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.265 -0.325 -3.119 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.448 0.801 -4.088 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.650 2.095 -3.749 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.453 0.754 -5.545 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.773 2.846 -4.905 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.660 2.065 -6.037 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -7.297 -0.287 -6.477 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.710 2.331 -7.405 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -7.348 -0.022 -7.855 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -7.554 1.285 -8.318 1.00 0.00 C ATOM 0 H TRP A 65 -9.521 -0.185 -1.624 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.707 -1.496 -4.206 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.128 0.066 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.367 -0.891 -3.366 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.706 2.479 -2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.928 3.854 -4.919 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.137 -1.297 -6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.868 3.340 -7.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.228 -0.830 -8.562 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.592 1.483 -9.379 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.749 -3.627 -2.825 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.536 -4.912 -2.097 1.00 0.00 C ATOM 1087 C HIS A 66 -7.269 -5.595 -2.618 1.00 0.00 C ATOM 1088 O HIS A 66 -6.635 -5.123 -3.543 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.747 -5.825 -2.311 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.899 -5.318 -1.485 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.527 -4.111 -1.754 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.541 -5.837 -0.389 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.498 -3.946 -0.838 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.550 -4.970 0.018 1.00 0.00 N ATOM 0 H HIS A 66 -9.317 -3.698 -3.669 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.420 -4.713 -1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.021 -5.845 -3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.502 -6.848 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.300 -6.776 0.086 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.155 -3.090 -0.799 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.192 -5.090 0.802 1.00 0.00 H new ATOM 1334 N ARG A 83 5.731 -9.094 -2.788 1.00 0.00 N ATOM 1335 CA ARG A 83 4.990 -8.687 -4.020 1.00 0.00 C ATOM 1336 C ARG A 83 3.521 -8.443 -3.670 1.00 0.00 C ATOM 1337 O ARG A 83 2.712 -9.352 -3.675 1.00 0.00 O ATOM 1338 CB ARG A 83 5.090 -9.792 -5.077 1.00 0.00 C ATOM 1339 CG ARG A 83 4.630 -11.132 -4.482 1.00 0.00 C ATOM 1340 CD ARG A 83 3.528 -11.740 -5.358 1.00 0.00 C ATOM 1341 NE ARG A 83 4.102 -12.149 -6.672 1.00 0.00 N ATOM 1342 CZ ARG A 83 4.774 -13.263 -6.773 1.00 0.00 C ATOM 1343 NH1 ARG A 83 4.149 -14.381 -7.017 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.071 -13.257 -6.629 1.00 0.00 N ATOM 0 HA ARG A 83 5.428 -7.772 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.475 -9.538 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.117 -9.876 -5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.474 -11.819 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.259 -10.982 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.087 -12.602 -4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.728 -11.015 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 83 3.969 -11.558 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.135 -14.385 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.674 -15.252 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.559 -12.382 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.597 -14.127 -6.708 1.00 0.00 H new ATOM 1358 N TRP A 84 3.175 -7.221 -3.362 1.00 0.00 N ATOM 1359 CA TRP A 84 1.761 -6.904 -3.003 1.00 0.00 C ATOM 1360 C TRP A 84 0.924 -6.741 -4.274 1.00 0.00 C ATOM 1361 O TRP A 84 1.399 -6.251 -5.283 1.00 0.00 O ATOM 1362 CB TRP A 84 1.714 -5.603 -2.202 1.00 0.00 C ATOM 1363 CG TRP A 84 2.355 -5.815 -0.870 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.663 -6.092 -0.675 1.00 0.00 C ATOM 1365 CD2 TRP A 84 1.743 -5.773 0.452 1.00 0.00 C ATOM 1366 NE1 TRP A 84 3.897 -6.218 0.683 1.00 0.00 N ATOM 1367 CE2 TRP A 84 2.743 -6.032 1.419 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.432 -5.538 0.901 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.452 -6.058 2.784 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.134 -5.563 2.274 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.144 -5.821 3.213 1.00 0.00 C ATOM 0 H TRP A 84 3.813 -6.426 -3.344 1.00 0.00 H new ATOM 0 HA TRP A 84 1.356 -7.720 -2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.230 -4.811 -2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.681 -5.280 -2.073 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.405 -6.198 -1.452 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.809 -6.423 1.090 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.352 -5.337 0.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.232 -6.260 3.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.877 -5.383 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.910 -5.836 4.267 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.321 -7.135 -4.222 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.213 -6.997 -5.410 1.00 0.00 C ATOM 1384 C GLU A 85 -2.284 -5.949 -5.099 1.00 0.00 C ATOM 1385 O GLU A 85 -2.522 -5.626 -3.950 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.884 -8.341 -5.711 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.814 -9.423 -5.895 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.656 -10.216 -4.596 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -1.664 -10.480 -3.959 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.470 -10.545 -4.259 1.00 0.00 O ATOM 0 H GLU A 85 -0.761 -7.550 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.630 -6.689 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.555 -8.614 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.493 -8.261 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.095 -10.091 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.136 -8.966 -6.171 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.928 -5.414 -6.106 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.978 -4.384 -5.855 1.00 0.00 C ATOM 1399 C PHE A 86 -4.999 -4.385 -6.995 1.00 0.00 C ATOM 1400 O PHE A 86 -4.652 -4.413 -8.159 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.319 -3.007 -5.747 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.683 -2.867 -4.384 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -3.454 -2.457 -3.290 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.323 -3.150 -4.215 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -2.864 -2.330 -2.026 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.733 -3.023 -2.952 1.00 0.00 C ATOM 1407 CZ PHE A 86 -1.504 -2.613 -1.857 1.00 0.00 C ATOM 0 H PHE A 86 -2.772 -5.646 -7.087 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.495 -4.615 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.567 -2.888 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.061 -2.223 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.504 -2.239 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.728 -3.466 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.459 -2.014 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.317 -3.241 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.049 -2.515 -0.882 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.262 -4.351 -6.654 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.337 -4.347 -7.692 1.00 0.00 C ATOM 1419 C GLU A 87 -8.610 -3.754 -7.085 1.00 0.00 C ATOM 1420 O GLU A 87 -8.750 -3.678 -5.878 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.618 -5.778 -8.193 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.531 -6.788 -7.040 1.00 0.00 C ATOM 1423 CD GLU A 87 -6.123 -7.389 -6.996 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -5.637 -7.786 -8.043 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -5.557 -7.443 -5.918 1.00 0.00 O ATOM 0 H GLU A 87 -6.598 -4.326 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.010 -3.746 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.608 -5.821 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.901 -6.043 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.759 -6.297 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.271 -7.577 -7.176 1.00 0.00 H new