USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 31 GLN : amide:sc= -4.05 K(o=-9.8,f=-15!) USER MOD Set 1.2: A 81 MET CE :methyl 135:sc= -5.8 (180deg=-5.23!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -4.85! C(o=-20!,f=-21!) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= -0.451 USER MOD Set 2.3: A 25 MET CE :methyl -152:sc= -6.05! (180deg=-8.1!) USER MOD Set 2.4: A 48 MET CE :methyl -112:sc= -4.57! (180deg=-1.58) USER MOD Set 2.5: A 57 MET CE :methyl -114:sc= -3.99! (180deg=-4.12!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 7 CYS SG : rot -141:sc= -0.547 USER MOD Single : A 9 CYS SG : rot -11:sc= 0.722 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 14 ASN : amide:sc= -0.282 K(o=-0.28,f=-2) USER MOD Single : A 17 SER OG : rot 180:sc= -0.654 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 13:sc= 0.0413 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 34 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.3!) USER MOD Single : A 39 ASN : amide:sc= -0.0467 K(o=-0.047,f=-0.66) USER MOD Single : A 41 HIS : no HE2:sc= -4.75 X(o=-4.7,f=-5.2!) USER MOD Single : A 43 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.0197 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -1.37 (180deg=-3.66!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= -0.53 (180deg=-0.795) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 80 SER OG : rot 10:sc= 1.3 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -10.923 -0.027 18.097 1.00 21.44 N ATOM 12 CA ARG A 3 -10.229 -1.146 17.471 1.00 31.42 C ATOM 13 C ARG A 3 -9.552 -0.710 16.175 1.00 15.21 C ATOM 14 O ARG A 3 -10.164 -0.733 15.107 1.00 4.32 O ATOM 15 CB ARG A 3 -11.208 -2.287 17.189 1.00 72.43 C ATOM 16 CG ARG A 3 -11.367 -3.255 18.350 1.00 64.43 C ATOM 17 CD ARG A 3 -12.562 -2.894 19.218 1.00 42.44 C ATOM 18 NE ARG A 3 -12.692 -3.783 20.369 1.00 62.14 N ATOM 19 CZ ARG A 3 -13.247 -4.988 20.307 1.00 64.51 C ATOM 20 NH1 ARG A 3 -13.720 -5.446 19.156 1.00 11.10 N ATOM 21 NH2 ARG A 3 -13.328 -5.739 21.398 1.00 73.20 N ATOM 0 HA ARG A 3 -9.462 -1.497 18.161 1.00 31.42 H new ATOM 0 HB2 ARG A 3 -12.183 -1.866 16.943 1.00 72.43 H new ATOM 0 HB3 ARG A 3 -10.868 -2.838 16.312 1.00 72.43 H new ATOM 0 HG2 ARG A 3 -11.488 -4.268 17.966 1.00 64.43 H new ATOM 0 HG3 ARG A 3 -10.461 -3.250 18.956 1.00 64.43 H new ATOM 0 HD2 ARG A 3 -12.461 -1.865 19.564 1.00 42.44 H new ATOM 0 HD3 ARG A 3 -13.472 -2.941 18.620 1.00 42.44 H new ATOM 0 HE ARG A 3 -12.337 -3.461 21.270 1.00 62.14 H new ATOM 0 HH11 ARG A 3 -13.658 -4.872 18.315 1.00 11.10 H new ATOM 0 HH12 ARG A 3 -14.146 -6.372 19.112 1.00 11.10 H new ATOM 0 HH21 ARG A 3 -12.964 -5.391 22.285 1.00 73.20 H new ATOM 0 HH22 ARG A 3 -13.754 -6.664 21.350 1.00 73.20 H new ATOM 35 N GLN A 4 -8.288 -0.313 16.278 1.00 13.42 N ATOM 36 CA GLN A 4 -7.530 0.130 15.114 1.00 2.13 C ATOM 37 C GLN A 4 -6.868 -1.052 14.414 1.00 71.01 C ATOM 38 O GLN A 4 -6.626 -2.093 15.025 1.00 0.11 O ATOM 39 CB GLN A 4 -6.469 1.151 15.529 1.00 52.53 C ATOM 40 CG GLN A 4 -6.710 2.542 14.964 1.00 52.13 C ATOM 41 CD GLN A 4 -5.598 3.513 15.308 1.00 64.41 C ATOM 42 OE1 GLN A 4 -4.421 3.232 15.080 1.00 25.33 O ATOM 43 NE2 GLN A 4 -5.965 4.663 15.860 1.00 51.24 N ATOM 0 H GLN A 4 -7.767 -0.289 17.155 1.00 13.42 H new ATOM 0 HA GLN A 4 -8.224 0.600 14.417 1.00 2.13 H new ATOM 0 HB2 GLN A 4 -6.439 1.210 16.617 1.00 52.53 H new ATOM 0 HB3 GLN A 4 -5.491 0.799 15.202 1.00 52.53 H new ATOM 0 HG2 GLN A 4 -6.808 2.478 13.880 1.00 52.13 H new ATOM 0 HG3 GLN A 4 -7.655 2.927 15.348 1.00 52.13 H new ATOM 0 HE21 GLN A 4 -6.952 4.854 16.031 1.00 51.24 H new ATOM 0 HE22 GLN A 4 -5.260 5.355 16.113 1.00 51.24 H new ATOM 52 N VAL A 5 -6.578 -0.885 13.127 1.00 0.35 N ATOM 53 CA VAL A 5 -5.943 -1.938 12.344 1.00 55.44 C ATOM 54 C VAL A 5 -4.585 -1.489 11.818 1.00 4.42 C ATOM 55 O VAL A 5 -4.309 -0.292 11.723 1.00 73.24 O ATOM 56 CB VAL A 5 -6.826 -2.362 11.155 1.00 34.00 C ATOM 57 CG1 VAL A 5 -8.176 -2.865 11.645 1.00 41.32 C ATOM 58 CG2 VAL A 5 -7.000 -1.206 10.181 1.00 32.15 C ATOM 0 H VAL A 5 -6.773 -0.031 12.605 1.00 0.35 H new ATOM 0 HA VAL A 5 -5.808 -2.790 13.010 1.00 55.44 H new ATOM 0 HB VAL A 5 -6.330 -3.178 10.629 1.00 34.00 H new ATOM 0 HG11 VAL A 5 -8.786 -3.160 10.791 1.00 41.32 H new ATOM 0 HG12 VAL A 5 -8.028 -3.724 12.300 1.00 41.32 H new ATOM 0 HG13 VAL A 5 -8.682 -2.072 12.196 1.00 41.32 H new ATOM 0 HG21 VAL A 5 -7.626 -1.524 9.347 1.00 32.15 H new ATOM 0 HG22 VAL A 5 -7.474 -0.368 10.692 1.00 32.15 H new ATOM 0 HG23 VAL A 5 -6.025 -0.897 9.805 1.00 32.15 H new ATOM 68 N ILE A 6 -3.739 -2.456 11.479 1.00 41.54 N ATOM 69 CA ILE A 6 -2.409 -2.159 10.961 1.00 62.40 C ATOM 70 C ILE A 6 -2.440 -1.955 9.450 1.00 22.21 C ATOM 71 O ILE A 6 -3.276 -2.531 8.753 1.00 62.13 O ATOM 72 CB ILE A 6 -1.411 -3.284 11.295 1.00 34.33 C ATOM 73 CG1 ILE A 6 -1.453 -3.604 12.791 1.00 64.31 C ATOM 74 CG2 ILE A 6 -0.005 -2.888 10.871 1.00 21.24 C ATOM 75 CD1 ILE A 6 -2.473 -4.660 13.155 1.00 11.21 C ATOM 0 H ILE A 6 -3.951 -3.451 11.554 1.00 41.54 H new ATOM 0 HA ILE A 6 -2.081 -1.238 11.443 1.00 62.40 H new ATOM 0 HB ILE A 6 -1.696 -4.179 10.743 1.00 34.33 H new ATOM 0 HG12 ILE A 6 -0.466 -3.938 13.111 1.00 64.31 H new ATOM 0 HG13 ILE A 6 -1.674 -2.691 13.343 1.00 64.31 H new ATOM 0 HG21 ILE A 6 0.689 -3.693 11.114 1.00 21.24 H new ATOM 0 HG22 ILE A 6 0.013 -2.705 9.797 1.00 21.24 H new ATOM 0 HG23 ILE A 6 0.292 -1.982 11.398 1.00 21.24 H new ATOM 0 HD11 ILE A 6 -2.447 -4.836 14.230 1.00 11.21 H new ATOM 0 HD12 ILE A 6 -3.468 -4.320 12.867 1.00 11.21 H new ATOM 0 HD13 ILE A 6 -2.240 -5.587 12.630 1.00 11.21 H new ATOM 87 N CYS A 7 -1.523 -1.134 8.951 1.00 50.21 N ATOM 88 CA CYS A 7 -1.444 -0.854 7.522 1.00 71.15 C ATOM 89 C CYS A 7 -0.770 -2.003 6.779 1.00 22.11 C ATOM 90 O CYS A 7 -0.028 -2.787 7.371 1.00 31.11 O ATOM 91 CB CYS A 7 -0.678 0.447 7.277 1.00 70.31 C ATOM 92 SG CYS A 7 -1.036 1.751 8.476 1.00 13.34 S ATOM 0 H CYS A 7 -0.824 -0.651 9.515 1.00 50.21 H new ATOM 0 HA CYS A 7 -2.460 -0.746 7.142 1.00 71.15 H new ATOM 0 HB2 CYS A 7 0.391 0.235 7.295 1.00 70.31 H new ATOM 0 HB3 CYS A 7 -0.914 0.812 6.278 1.00 70.31 H new ATOM 0 HG CYS A 7 -1.082 2.899 7.868 1.00 13.34 H new ATOM 98 N TRP A 8 -1.034 -2.097 5.481 1.00 62.10 N ATOM 99 CA TRP A 8 -0.453 -3.152 4.658 1.00 75.13 C ATOM 100 C TRP A 8 0.627 -2.593 3.738 1.00 33.03 C ATOM 101 O TRP A 8 0.340 -1.802 2.838 1.00 25.53 O ATOM 102 CB TRP A 8 -1.541 -3.837 3.829 1.00 33.31 C ATOM 103 CG TRP A 8 -2.500 -4.640 4.655 1.00 13.23 C ATOM 104 CD1 TRP A 8 -3.384 -4.162 5.581 1.00 63.13 C ATOM 105 CD2 TRP A 8 -2.670 -6.061 4.632 1.00 72.32 C ATOM 106 NE1 TRP A 8 -4.093 -5.201 6.134 1.00 23.00 N ATOM 107 CE2 TRP A 8 -3.674 -6.376 5.568 1.00 34.32 C ATOM 108 CE3 TRP A 8 -2.074 -7.098 3.910 1.00 63.24 C ATOM 109 CZ2 TRP A 8 -4.092 -7.684 5.800 1.00 62.21 C ATOM 110 CZ3 TRP A 8 -2.489 -8.396 4.141 1.00 41.20 C ATOM 111 CH2 TRP A 8 -3.490 -8.680 5.079 1.00 54.31 C ATOM 0 H TRP A 8 -1.646 -1.456 4.976 1.00 62.10 H new ATOM 0 HA TRP A 8 0.005 -3.885 5.322 1.00 75.13 H new ATOM 0 HB2 TRP A 8 -2.096 -3.080 3.274 1.00 33.31 H new ATOM 0 HB3 TRP A 8 -1.071 -4.490 3.094 1.00 33.31 H new ATOM 0 HD1 TRP A 8 -3.507 -3.121 5.840 1.00 63.13 H new ATOM 0 HE1 TRP A 8 -4.814 -5.112 6.850 1.00 23.00 H new ATOM 0 HE3 TRP A 8 -1.302 -6.889 3.184 1.00 63.24 H new ATOM 0 HZ2 TRP A 8 -4.863 -7.905 6.523 1.00 62.21 H new ATOM 0 HZ3 TRP A 8 -2.034 -9.205 3.589 1.00 41.20 H new ATOM 0 HH2 TRP A 8 -3.793 -9.705 5.236 1.00 54.31 H new ATOM 122 N CYS A 9 1.867 -3.008 3.970 1.00 42.22 N ATOM 123 CA CYS A 9 2.991 -2.547 3.162 1.00 72.13 C ATOM 124 C CYS A 9 3.291 -3.532 2.037 1.00 63.03 C ATOM 125 O CYS A 9 3.634 -4.688 2.285 1.00 62.24 O ATOM 126 CB CYS A 9 4.231 -2.359 4.036 1.00 3.30 C ATOM 127 SG CYS A 9 4.682 -3.819 5.003 1.00 54.22 S ATOM 0 H CYS A 9 2.120 -3.662 4.710 1.00 42.22 H new ATOM 0 HA CYS A 9 2.720 -1.589 2.719 1.00 72.13 H new ATOM 0 HB2 CYS A 9 5.072 -2.084 3.400 1.00 3.30 H new ATOM 0 HB3 CYS A 9 4.060 -1.525 4.716 1.00 3.30 H new ATOM 0 HG CYS A 9 3.721 -4.693 4.943 1.00 54.22 H new ATOM 133 N PHE A 10 3.159 -3.067 0.799 1.00 52.21 N ATOM 134 CA PHE A 10 3.413 -3.907 -0.365 1.00 64.51 C ATOM 135 C PHE A 10 4.233 -3.156 -1.410 1.00 23.02 C ATOM 136 O PHE A 10 4.337 -1.930 -1.370 1.00 44.55 O ATOM 137 CB PHE A 10 2.093 -4.379 -0.979 1.00 4.12 C ATOM 138 CG PHE A 10 1.523 -3.419 -1.984 1.00 30.24 C ATOM 139 CD1 PHE A 10 1.000 -2.202 -1.579 1.00 1.51 C ATOM 140 CD2 PHE A 10 1.510 -3.734 -3.333 1.00 21.43 C ATOM 141 CE1 PHE A 10 0.474 -1.317 -2.501 1.00 71.14 C ATOM 142 CE2 PHE A 10 0.986 -2.854 -4.260 1.00 14.30 C ATOM 143 CZ PHE A 10 0.468 -1.643 -3.844 1.00 12.03 C ATOM 0 H PHE A 10 2.877 -2.112 0.576 1.00 52.21 H new ATOM 0 HA PHE A 10 3.984 -4.776 -0.036 1.00 64.51 H new ATOM 0 HB2 PHE A 10 2.250 -5.345 -1.459 1.00 4.12 H new ATOM 0 HB3 PHE A 10 1.365 -4.533 -0.182 1.00 4.12 H new ATOM 0 HD1 PHE A 10 1.003 -1.942 -0.531 1.00 1.51 H new ATOM 0 HD2 PHE A 10 1.914 -4.679 -3.664 1.00 21.43 H new ATOM 0 HE1 PHE A 10 0.068 -0.372 -2.172 1.00 71.14 H new ATOM 0 HE2 PHE A 10 0.981 -3.113 -5.309 1.00 14.30 H new ATOM 0 HZ PHE A 10 0.059 -0.952 -4.567 1.00 12.03 H new ATOM 153 N THR A 11 4.815 -3.901 -2.345 1.00 3.13 N ATOM 154 CA THR A 11 5.628 -3.307 -3.399 1.00 75.21 C ATOM 155 C THR A 11 5.267 -3.886 -4.763 1.00 11.44 C ATOM 156 O THR A 11 5.357 -5.095 -4.979 1.00 1.11 O ATOM 157 CB THR A 11 7.130 -3.527 -3.142 1.00 22.11 C ATOM 158 OG1 THR A 11 7.411 -3.403 -1.743 1.00 42.43 O ATOM 159 CG2 THR A 11 7.965 -2.524 -3.923 1.00 65.24 C ATOM 0 H THR A 11 4.738 -4.917 -2.394 1.00 3.13 H new ATOM 0 HA THR A 11 5.420 -2.237 -3.394 1.00 75.21 H new ATOM 0 HB THR A 11 7.390 -4.531 -3.477 1.00 22.11 H new ATOM 0 HG1 THR A 11 8.368 -3.546 -1.588 1.00 42.43 H new ATOM 0 HG21 THR A 11 9.023 -2.699 -3.726 1.00 65.24 H new ATOM 0 HG22 THR A 11 7.771 -2.641 -4.989 1.00 65.24 H new ATOM 0 HG23 THR A 11 7.701 -1.512 -3.615 1.00 65.24 H new ATOM 167 N LEU A 12 4.859 -3.016 -5.680 1.00 10.31 N ATOM 168 CA LEU A 12 4.485 -3.440 -7.025 1.00 24.45 C ATOM 169 C LEU A 12 5.519 -2.981 -8.048 1.00 1.33 C ATOM 170 O LEU A 12 5.743 -1.784 -8.223 1.00 44.01 O ATOM 171 CB LEU A 12 3.107 -2.887 -7.391 1.00 62.10 C ATOM 172 CG LEU A 12 2.669 -3.084 -8.843 1.00 20.34 C ATOM 173 CD1 LEU A 12 2.898 -4.523 -9.279 1.00 22.24 C ATOM 174 CD2 LEU A 12 1.207 -2.699 -9.015 1.00 70.24 C ATOM 0 H LEU A 12 4.779 -2.012 -5.517 1.00 10.31 H new ATOM 0 HA LEU A 12 4.447 -4.529 -7.039 1.00 24.45 H new ATOM 0 HB2 LEU A 12 2.366 -3.354 -6.742 1.00 62.10 H new ATOM 0 HB3 LEU A 12 3.096 -1.820 -7.171 1.00 62.10 H new ATOM 0 HG LEU A 12 3.273 -2.434 -9.476 1.00 20.34 H new ATOM 0 HD11 LEU A 12 2.581 -4.644 -10.315 1.00 22.24 H new ATOM 0 HD12 LEU A 12 3.957 -4.765 -9.193 1.00 22.24 H new ATOM 0 HD13 LEU A 12 2.320 -5.193 -8.642 1.00 22.24 H new ATOM 0 HD21 LEU A 12 0.912 -2.845 -10.054 1.00 70.24 H new ATOM 0 HD22 LEU A 12 0.588 -3.323 -8.371 1.00 70.24 H new ATOM 0 HD23 LEU A 12 1.072 -1.652 -8.744 1.00 70.24 H new ATOM 186 N ASN A 13 6.144 -3.940 -8.722 1.00 61.50 N ATOM 187 CA ASN A 13 7.153 -3.634 -9.730 1.00 11.04 C ATOM 188 C ASN A 13 6.553 -3.679 -11.132 1.00 31.44 C ATOM 189 O ASN A 13 5.791 -4.587 -11.463 1.00 24.14 O ATOM 190 CB ASN A 13 8.319 -4.619 -9.630 1.00 23.23 C ATOM 191 CG ASN A 13 8.900 -4.688 -8.230 1.00 52.14 C ATOM 192 OD1 ASN A 13 9.158 -3.661 -7.602 1.00 55.02 O ATOM 193 ND2 ASN A 13 9.109 -5.902 -7.736 1.00 33.43 N ATOM 0 H ASN A 13 5.970 -4.936 -8.589 1.00 61.50 H new ATOM 0 HA ASN A 13 7.522 -2.625 -9.544 1.00 11.04 H new ATOM 0 HB2 ASN A 13 7.980 -5.611 -9.929 1.00 23.23 H new ATOM 0 HB3 ASN A 13 9.101 -4.325 -10.331 1.00 23.23 H new ATOM 0 HD21 ASN A 13 9.499 -6.011 -6.800 1.00 33.43 H new ATOM 0 HD22 ASN A 13 8.880 -6.725 -8.293 1.00 33.43 H new ATOM 200 N ASN A 14 6.903 -2.693 -11.951 1.00 73.33 N ATOM 201 CA ASN A 14 6.399 -2.621 -13.318 1.00 11.50 C ATOM 202 C ASN A 14 4.882 -2.779 -13.348 1.00 32.13 C ATOM 203 O ASN A 14 4.344 -3.742 -13.896 1.00 11.53 O ATOM 204 CB ASN A 14 7.053 -3.700 -14.183 1.00 32.01 C ATOM 205 CG ASN A 14 6.660 -3.587 -15.643 1.00 45.14 C ATOM 206 OD1 ASN A 14 5.997 -2.632 -16.047 1.00 43.43 O ATOM 207 ND2 ASN A 14 7.070 -4.565 -16.443 1.00 54.11 N ATOM 0 H ASN A 14 7.533 -1.933 -11.693 1.00 73.33 H new ATOM 0 HA ASN A 14 6.652 -1.640 -13.720 1.00 11.50 H new ATOM 0 HB2 ASN A 14 8.137 -3.625 -14.094 1.00 32.01 H new ATOM 0 HB3 ASN A 14 6.770 -4.684 -13.808 1.00 32.01 H new ATOM 0 HD21 ASN A 14 6.837 -4.543 -17.436 1.00 54.11 H new ATOM 0 HD22 ASN A 14 7.618 -5.338 -16.064 1.00 54.11 H new ATOM 214 N PRO A 15 4.174 -1.812 -12.745 1.00 31.31 N ATOM 215 CA PRO A 15 2.709 -1.821 -12.689 1.00 61.25 C ATOM 216 C PRO A 15 2.076 -1.570 -14.054 1.00 12.23 C ATOM 217 O PRO A 15 2.577 -0.768 -14.844 1.00 35.32 O ATOM 218 CB PRO A 15 2.383 -0.674 -11.729 1.00 65.43 C ATOM 219 CG PRO A 15 3.554 0.242 -11.824 1.00 11.44 C ATOM 220 CD PRO A 15 4.749 -0.636 -12.072 1.00 0.25 C ATOM 0 HA PRO A 15 2.319 -2.787 -12.368 1.00 61.25 H new ATOM 0 HB2 PRO A 15 1.460 -0.169 -12.015 1.00 65.43 H new ATOM 0 HB3 PRO A 15 2.246 -1.037 -10.710 1.00 65.43 H new ATOM 0 HG2 PRO A 15 3.423 0.960 -12.634 1.00 11.44 H new ATOM 0 HG3 PRO A 15 3.676 0.816 -10.905 1.00 11.44 H new ATOM 0 HD2 PRO A 15 5.491 -0.138 -12.697 1.00 0.25 H new ATOM 0 HD3 PRO A 15 5.247 -0.909 -11.142 1.00 0.25 H new ATOM 228 N LEU A 16 0.973 -2.258 -14.324 1.00 75.34 N ATOM 229 CA LEU A 16 0.270 -2.109 -15.594 1.00 72.11 C ATOM 230 C LEU A 16 -0.725 -0.955 -15.533 1.00 53.43 C ATOM 231 O LEU A 16 -1.301 -0.564 -16.549 1.00 31.12 O ATOM 232 CB LEU A 16 -0.458 -3.406 -15.952 1.00 63.14 C ATOM 233 CG LEU A 16 0.325 -4.399 -16.813 1.00 12.12 C ATOM 234 CD1 LEU A 16 -0.192 -5.813 -16.599 1.00 63.22 C ATOM 235 CD2 LEU A 16 0.239 -4.014 -18.283 1.00 20.14 C ATOM 0 H LEU A 16 0.546 -2.925 -13.681 1.00 75.34 H new ATOM 0 HA LEU A 16 1.008 -1.889 -16.366 1.00 72.11 H new ATOM 0 HB2 LEU A 16 -0.745 -3.905 -15.027 1.00 63.14 H new ATOM 0 HB3 LEU A 16 -1.379 -3.150 -16.475 1.00 63.14 H new ATOM 0 HG LEU A 16 1.372 -4.367 -16.511 1.00 12.12 H new ATOM 0 HD11 LEU A 16 0.376 -6.506 -17.219 1.00 63.22 H new ATOM 0 HD12 LEU A 16 -0.078 -6.087 -15.550 1.00 63.22 H new ATOM 0 HD13 LEU A 16 -1.246 -5.861 -16.874 1.00 63.22 H new ATOM 0 HD21 LEU A 16 0.802 -4.731 -18.880 1.00 20.14 H new ATOM 0 HD22 LEU A 16 -0.804 -4.017 -18.600 1.00 20.14 H new ATOM 0 HD23 LEU A 16 0.658 -3.017 -18.423 1.00 20.14 H new ATOM 247 N SER A 17 -0.921 -0.411 -14.336 1.00 71.31 N ATOM 248 CA SER A 17 -1.848 0.698 -14.142 1.00 63.23 C ATOM 249 C SER A 17 -1.878 1.132 -12.680 1.00 24.41 C ATOM 250 O SER A 17 -1.495 0.387 -11.777 1.00 51.10 O ATOM 251 CB SER A 17 -3.254 0.301 -14.597 1.00 45.12 C ATOM 252 OG SER A 17 -4.228 0.698 -13.648 1.00 2.20 O ATOM 0 H SER A 17 -0.450 -0.720 -13.486 1.00 71.31 H new ATOM 0 HA SER A 17 -1.502 1.538 -14.745 1.00 63.23 H new ATOM 0 HB2 SER A 17 -3.471 0.762 -15.561 1.00 45.12 H new ATOM 0 HB3 SER A 17 -3.302 -0.778 -14.742 1.00 45.12 H new ATOM 0 HG SER A 17 -5.118 0.434 -13.963 1.00 2.20 H new ATOM 258 N PRO A 18 -2.343 2.366 -12.439 1.00 53.23 N ATOM 259 CA PRO A 18 -2.435 2.928 -11.088 1.00 54.25 C ATOM 260 C PRO A 18 -3.516 2.252 -10.252 1.00 23.44 C ATOM 261 O PRO A 18 -4.480 1.705 -10.789 1.00 14.44 O ATOM 262 CB PRO A 18 -2.793 4.395 -11.338 1.00 51.43 C ATOM 263 CG PRO A 18 -3.470 4.400 -12.665 1.00 71.43 C ATOM 264 CD PRO A 18 -2.816 3.309 -13.467 1.00 72.53 C ATOM 0 HA PRO A 18 -1.512 2.790 -10.525 1.00 54.25 H new ATOM 0 HB2 PRO A 18 -3.449 4.781 -10.558 1.00 51.43 H new ATOM 0 HB3 PRO A 18 -1.903 5.024 -11.346 1.00 51.43 H new ATOM 0 HG2 PRO A 18 -4.539 4.218 -12.558 1.00 71.43 H new ATOM 0 HG3 PRO A 18 -3.358 5.366 -13.157 1.00 71.43 H new ATOM 0 HD2 PRO A 18 -3.520 2.837 -14.152 1.00 72.53 H new ATOM 0 HD3 PRO A 18 -1.993 3.692 -14.070 1.00 72.53 H new ATOM 272 N LEU A 19 -3.349 2.291 -8.934 1.00 43.54 N ATOM 273 CA LEU A 19 -4.311 1.682 -8.022 1.00 45.23 C ATOM 274 C LEU A 19 -5.516 2.593 -7.814 1.00 50.31 C ATOM 275 O LEU A 19 -5.497 3.762 -8.200 1.00 14.10 O ATOM 276 CB LEU A 19 -3.647 1.380 -6.678 1.00 32.34 C ATOM 277 CG LEU A 19 -2.213 0.853 -6.740 1.00 71.21 C ATOM 278 CD1 LEU A 19 -1.566 0.903 -5.365 1.00 24.01 C ATOM 279 CD2 LEU A 19 -2.190 -0.565 -7.291 1.00 64.42 C ATOM 0 H LEU A 19 -2.556 2.738 -8.473 1.00 43.54 H new ATOM 0 HA LEU A 19 -4.657 0.749 -8.467 1.00 45.23 H new ATOM 0 HB2 LEU A 19 -3.652 2.291 -6.080 1.00 32.34 H new ATOM 0 HB3 LEU A 19 -4.259 0.649 -6.150 1.00 32.34 H new ATOM 0 HG LEU A 19 -1.640 1.492 -7.412 1.00 71.21 H new ATOM 0 HD11 LEU A 19 -0.546 0.524 -5.429 1.00 24.01 H new ATOM 0 HD12 LEU A 19 -1.549 1.933 -5.008 1.00 24.01 H new ATOM 0 HD13 LEU A 19 -2.139 0.288 -4.671 1.00 24.01 H new ATOM 0 HD21 LEU A 19 -1.162 -0.924 -7.328 1.00 64.42 H new ATOM 0 HD22 LEU A 19 -2.779 -1.216 -6.645 1.00 64.42 H new ATOM 0 HD23 LEU A 19 -2.613 -0.572 -8.295 1.00 64.42 H new ATOM 291 N SER A 20 -6.562 2.051 -7.200 1.00 33.34 N ATOM 292 CA SER A 20 -7.778 2.814 -6.941 1.00 45.12 C ATOM 293 C SER A 20 -8.465 2.326 -5.670 1.00 14.22 C ATOM 294 O SER A 20 -8.166 1.244 -5.164 1.00 20.21 O ATOM 295 CB SER A 20 -8.737 2.704 -8.128 1.00 24.30 C ATOM 296 OG SER A 20 -8.185 3.304 -9.287 1.00 10.20 O ATOM 0 H SER A 20 -6.592 1.086 -6.872 1.00 33.34 H new ATOM 0 HA SER A 20 -7.500 3.859 -6.804 1.00 45.12 H new ATOM 0 HB2 SER A 20 -8.956 1.655 -8.327 1.00 24.30 H new ATOM 0 HB3 SER A 20 -9.683 3.185 -7.881 1.00 24.30 H new ATOM 0 HG SER A 20 -8.816 3.219 -10.032 1.00 10.20 H new ATOM 302 N LEU A 21 -9.389 3.132 -5.158 1.00 50.40 N ATOM 303 CA LEU A 21 -10.121 2.784 -3.945 1.00 52.41 C ATOM 304 C LEU A 21 -10.728 1.389 -4.057 1.00 4.25 C ATOM 305 O LEU A 21 -10.839 0.835 -5.150 1.00 61.34 O ATOM 306 CB LEU A 21 -11.223 3.812 -3.678 1.00 65.22 C ATOM 307 CG LEU A 21 -11.904 3.726 -2.312 1.00 72.52 C ATOM 308 CD1 LEU A 21 -10.869 3.728 -1.198 1.00 70.40 C ATOM 309 CD2 LEU A 21 -12.886 4.874 -2.133 1.00 11.14 C ATOM 0 H LEU A 21 -9.649 4.031 -5.564 1.00 50.40 H new ATOM 0 HA LEU A 21 -9.418 2.789 -3.112 1.00 52.41 H new ATOM 0 HB2 LEU A 21 -10.796 4.809 -3.787 1.00 65.22 H new ATOM 0 HB3 LEU A 21 -11.986 3.706 -4.449 1.00 65.22 H new ATOM 0 HG LEU A 21 -12.458 2.789 -2.262 1.00 72.52 H new ATOM 0 HD11 LEU A 21 -11.373 3.666 -0.233 1.00 70.40 H new ATOM 0 HD12 LEU A 21 -10.205 2.871 -1.316 1.00 70.40 H new ATOM 0 HD13 LEU A 21 -10.286 4.648 -1.245 1.00 70.40 H new ATOM 0 HD21 LEU A 21 -13.362 4.797 -1.155 1.00 11.14 H new ATOM 0 HD22 LEU A 21 -12.354 5.823 -2.204 1.00 11.14 H new ATOM 0 HD23 LEU A 21 -13.647 4.826 -2.912 1.00 11.14 H new ATOM 321 N HIS A 22 -11.120 0.828 -2.918 1.00 33.55 N ATOM 322 CA HIS A 22 -11.719 -0.502 -2.887 1.00 64.44 C ATOM 323 C HIS A 22 -12.974 -0.514 -2.021 1.00 11.23 C ATOM 324 O HIS A 22 -13.106 0.283 -1.091 1.00 61.13 O ATOM 325 CB HIS A 22 -10.712 -1.526 -2.361 1.00 0.31 C ATOM 326 CG HIS A 22 -11.138 -2.946 -2.568 1.00 60.55 C ATOM 327 ND1 HIS A 22 -11.083 -3.901 -1.575 1.00 62.53 N ATOM 328 CD2 HIS A 22 -11.630 -3.572 -3.663 1.00 60.32 C ATOM 329 CE1 HIS A 22 -11.521 -5.054 -2.051 1.00 2.44 C ATOM 330 NE2 HIS A 22 -11.860 -4.881 -3.316 1.00 4.35 N ATOM 0 H HIS A 22 -11.034 1.273 -2.004 1.00 33.55 H new ATOM 0 HA HIS A 22 -12.000 -0.770 -3.905 1.00 64.44 H new ATOM 0 HB2 HIS A 22 -9.753 -1.367 -2.855 1.00 0.31 H new ATOM 0 HB3 HIS A 22 -10.554 -1.354 -1.296 1.00 0.31 H new ATOM 0 HD2 HIS A 22 -11.809 -3.125 -4.630 1.00 60.32 H new ATOM 0 HE1 HIS A 22 -11.590 -5.980 -1.499 1.00 2.44 H new ATOM 0 HE2 HIS A 22 -12.232 -5.602 -3.934 1.00 4.35 H new ATOM 338 N ASP A 23 -13.893 -1.421 -2.332 1.00 15.23 N ATOM 339 CA ASP A 23 -15.138 -1.536 -1.581 1.00 75.11 C ATOM 340 C ASP A 23 -14.882 -2.099 -0.186 1.00 51.35 C ATOM 341 O ASP A 23 -15.666 -1.878 0.737 1.00 42.44 O ATOM 342 CB ASP A 23 -16.130 -2.428 -2.330 1.00 62.11 C ATOM 343 CG ASP A 23 -17.228 -1.632 -3.008 1.00 3.24 C ATOM 344 OD1 ASP A 23 -18.029 -0.997 -2.290 1.00 63.22 O ATOM 345 OD2 ASP A 23 -17.286 -1.644 -4.255 1.00 54.22 O ATOM 0 H ASP A 23 -13.800 -2.087 -3.099 1.00 15.23 H new ATOM 0 HA ASP A 23 -15.564 -0.538 -1.478 1.00 75.11 H new ATOM 0 HB2 ASP A 23 -15.595 -3.013 -3.078 1.00 62.11 H new ATOM 0 HB3 ASP A 23 -16.577 -3.136 -1.632 1.00 62.11 H new ATOM 350 N SER A 24 -13.780 -2.828 -0.041 1.00 53.14 N ATOM 351 CA SER A 24 -13.423 -3.427 1.239 1.00 0.43 C ATOM 352 C SER A 24 -12.457 -2.530 2.008 1.00 54.52 C ATOM 353 O SER A 24 -12.524 -2.433 3.233 1.00 71.32 O ATOM 354 CB SER A 24 -12.795 -4.805 1.024 1.00 30.05 C ATOM 355 OG SER A 24 -13.486 -5.530 0.022 1.00 51.53 O ATOM 0 H SER A 24 -13.119 -3.018 -0.794 1.00 53.14 H new ATOM 0 HA SER A 24 -14.334 -3.539 1.826 1.00 0.43 H new ATOM 0 HB2 SER A 24 -11.749 -4.691 0.739 1.00 30.05 H new ATOM 0 HB3 SER A 24 -12.811 -5.365 1.959 1.00 30.05 H new ATOM 0 HG SER A 24 -13.064 -6.406 -0.098 1.00 51.53 H new ATOM 361 N MET A 25 -11.560 -1.875 1.278 1.00 11.32 N ATOM 362 CA MET A 25 -10.581 -0.984 1.890 1.00 21.24 C ATOM 363 C MET A 25 -11.200 0.375 2.199 1.00 53.33 C ATOM 364 O MET A 25 -12.289 0.695 1.722 1.00 53.52 O ATOM 365 CB MET A 25 -9.372 -0.810 0.969 1.00 52.21 C ATOM 366 CG MET A 25 -9.335 0.536 0.263 1.00 11.14 C ATOM 367 SD MET A 25 -8.362 0.498 -1.254 1.00 51.32 S ATOM 368 CE MET A 25 -7.113 -0.712 -0.826 1.00 34.24 C ATOM 0 H MET A 25 -11.491 -1.944 0.263 1.00 11.32 H new ATOM 0 HA MET A 25 -10.253 -1.435 2.827 1.00 21.24 H new ATOM 0 HB2 MET A 25 -8.460 -0.930 1.554 1.00 52.21 H new ATOM 0 HB3 MET A 25 -9.378 -1.603 0.221 1.00 52.21 H new ATOM 0 HG2 MET A 25 -10.353 0.847 0.029 1.00 11.14 H new ATOM 0 HG3 MET A 25 -8.920 1.285 0.938 1.00 11.14 H new ATOM 0 HE1 MET A 25 -6.201 -0.507 -1.386 1.00 34.24 H new ATOM 0 HE2 MET A 25 -6.903 -0.656 0.242 1.00 34.24 H new ATOM 0 HE3 MET A 25 -7.474 -1.710 -1.073 1.00 34.24 H new ATOM 378 N LYS A 26 -10.500 1.172 2.999 1.00 20.31 N ATOM 379 CA LYS A 26 -10.980 2.497 3.371 1.00 41.31 C ATOM 380 C LYS A 26 -10.163 3.585 2.680 1.00 14.13 C ATOM 381 O LYS A 26 -10.719 4.518 2.101 1.00 54.33 O ATOM 382 CB LYS A 26 -10.912 2.680 4.889 1.00 62.22 C ATOM 383 CG LYS A 26 -12.274 2.821 5.546 1.00 23.23 C ATOM 384 CD LYS A 26 -12.401 4.142 6.287 1.00 75.53 C ATOM 385 CE LYS A 26 -13.858 4.539 6.469 1.00 11.44 C ATOM 386 NZ LYS A 26 -14.087 5.225 7.771 1.00 4.14 N ATOM 0 H LYS A 26 -9.597 0.923 3.403 1.00 20.31 H new ATOM 0 HA LYS A 26 -12.017 2.584 3.047 1.00 41.31 H new ATOM 0 HB2 LYS A 26 -10.393 1.827 5.327 1.00 62.22 H new ATOM 0 HB3 LYS A 26 -10.316 3.565 5.114 1.00 62.22 H new ATOM 0 HG2 LYS A 26 -13.054 2.752 4.788 1.00 23.23 H new ATOM 0 HG3 LYS A 26 -12.431 1.996 6.241 1.00 23.23 H new ATOM 0 HD2 LYS A 26 -11.920 4.062 7.262 1.00 75.53 H new ATOM 0 HD3 LYS A 26 -11.876 4.922 5.736 1.00 75.53 H new ATOM 0 HE2 LYS A 26 -14.160 5.197 5.654 1.00 11.44 H new ATOM 0 HE3 LYS A 26 -14.487 3.650 6.411 1.00 11.44 H new ATOM 0 HZ1 LYS A 26 -15.092 5.480 7.857 1.00 4.14 H new ATOM 0 HZ2 LYS A 26 -13.823 4.588 8.550 1.00 4.14 H new ATOM 0 HZ3 LYS A 26 -13.506 6.087 7.816 1.00 4.14 H new ATOM 400 N TYR A 27 -8.843 3.458 2.745 1.00 62.20 N ATOM 401 CA TYR A 27 -7.950 4.431 2.126 1.00 31.44 C ATOM 402 C TYR A 27 -6.586 3.811 1.836 1.00 14.23 C ATOM 403 O TYR A 27 -5.982 3.178 2.703 1.00 63.14 O ATOM 404 CB TYR A 27 -7.786 5.652 3.033 1.00 65.32 C ATOM 405 CG TYR A 27 -7.367 5.306 4.444 1.00 11.21 C ATOM 406 CD1 TYR A 27 -6.027 5.138 4.771 1.00 61.35 C ATOM 407 CD2 TYR A 27 -8.311 5.147 5.451 1.00 53.33 C ATOM 408 CE1 TYR A 27 -5.640 4.821 6.058 1.00 2.44 C ATOM 409 CE2 TYR A 27 -7.933 4.832 6.742 1.00 53.45 C ATOM 410 CZ TYR A 27 -6.597 4.670 7.040 1.00 5.34 C ATOM 411 OH TYR A 27 -6.216 4.355 8.325 1.00 40.23 O ATOM 0 H TYR A 27 -8.367 2.691 3.220 1.00 62.20 H new ATOM 0 HA TYR A 27 -8.394 4.745 1.181 1.00 31.44 H new ATOM 0 HB2 TYR A 27 -7.045 6.321 2.597 1.00 65.32 H new ATOM 0 HB3 TYR A 27 -8.728 6.199 3.066 1.00 65.32 H new ATOM 0 HD1 TYR A 27 -5.275 5.257 4.005 1.00 61.35 H new ATOM 0 HD2 TYR A 27 -9.359 5.272 5.221 1.00 53.33 H new ATOM 0 HE1 TYR A 27 -4.594 4.692 6.294 1.00 2.44 H new ATOM 0 HE2 TYR A 27 -8.680 4.713 7.513 1.00 53.45 H new ATOM 0 HH TYR A 27 -5.248 4.477 8.419 1.00 40.23 H new ATOM 421 N LEU A 28 -6.107 3.999 0.612 1.00 74.05 N ATOM 422 CA LEU A 28 -4.814 3.460 0.205 1.00 72.12 C ATOM 423 C LEU A 28 -3.857 4.580 -0.190 1.00 0.15 C ATOM 424 O LEU A 28 -4.252 5.550 -0.836 1.00 74.04 O ATOM 425 CB LEU A 28 -4.989 2.488 -0.964 1.00 13.34 C ATOM 426 CG LEU A 28 -5.129 3.122 -2.348 1.00 73.22 C ATOM 427 CD1 LEU A 28 -3.902 2.827 -3.197 1.00 31.03 C ATOM 428 CD2 LEU A 28 -6.390 2.622 -3.039 1.00 21.14 C ATOM 0 H LEU A 28 -6.594 4.521 -0.116 1.00 74.05 H new ATOM 0 HA LEU A 28 -4.388 2.925 1.054 1.00 72.12 H new ATOM 0 HB2 LEU A 28 -4.133 1.813 -0.980 1.00 13.34 H new ATOM 0 HB3 LEU A 28 -5.872 1.878 -0.774 1.00 13.34 H new ATOM 0 HG LEU A 28 -5.210 4.202 -2.225 1.00 73.22 H new ATOM 0 HD11 LEU A 28 -4.020 3.286 -4.179 1.00 31.03 H new ATOM 0 HD12 LEU A 28 -3.016 3.234 -2.710 1.00 31.03 H new ATOM 0 HD13 LEU A 28 -3.790 1.749 -3.312 1.00 31.03 H new ATOM 0 HD21 LEU A 28 -6.473 3.084 -4.023 1.00 21.14 H new ATOM 0 HD22 LEU A 28 -6.339 1.539 -3.150 1.00 21.14 H new ATOM 0 HD23 LEU A 28 -7.262 2.885 -2.440 1.00 21.14 H new ATOM 440 N VAL A 29 -2.595 4.439 0.203 1.00 62.52 N ATOM 441 CA VAL A 29 -1.580 5.437 -0.112 1.00 63.54 C ATOM 442 C VAL A 29 -0.344 4.788 -0.727 1.00 10.54 C ATOM 443 O VAL A 29 0.271 3.907 -0.126 1.00 4.53 O ATOM 444 CB VAL A 29 -1.162 6.227 1.141 1.00 3.35 C ATOM 445 CG1 VAL A 29 -0.061 7.222 0.804 1.00 75.24 C ATOM 446 CG2 VAL A 29 -2.363 6.935 1.750 1.00 51.04 C ATOM 0 H VAL A 29 -2.251 3.643 0.740 1.00 62.52 H new ATOM 0 HA VAL A 29 -2.024 6.123 -0.833 1.00 63.54 H new ATOM 0 HB VAL A 29 -0.771 5.525 1.877 1.00 3.35 H new ATOM 0 HG11 VAL A 29 0.221 7.771 1.703 1.00 75.24 H new ATOM 0 HG12 VAL A 29 0.807 6.687 0.418 1.00 75.24 H new ATOM 0 HG13 VAL A 29 -0.421 7.922 0.050 1.00 75.24 H new ATOM 0 HG21 VAL A 29 -2.049 7.489 2.635 1.00 51.04 H new ATOM 0 HG22 VAL A 29 -2.786 7.626 1.021 1.00 51.04 H new ATOM 0 HG23 VAL A 29 -3.116 6.198 2.031 1.00 51.04 H new ATOM 456 N TYR A 30 0.014 5.231 -1.927 1.00 21.42 N ATOM 457 CA TYR A 30 1.176 4.692 -2.624 1.00 41.42 C ATOM 458 C TYR A 30 1.949 5.801 -3.332 1.00 14.40 C ATOM 459 O TYR A 30 1.430 6.898 -3.540 1.00 72.22 O ATOM 460 CB TYR A 30 0.743 3.631 -3.637 1.00 11.11 C ATOM 461 CG TYR A 30 0.132 4.207 -4.894 1.00 51.32 C ATOM 462 CD1 TYR A 30 -1.185 4.650 -4.911 1.00 2.34 C ATOM 463 CD2 TYR A 30 0.872 4.310 -6.066 1.00 22.23 C ATOM 464 CE1 TYR A 30 -1.747 5.177 -6.057 1.00 71.33 C ATOM 465 CE2 TYR A 30 0.319 4.836 -7.217 1.00 15.23 C ATOM 466 CZ TYR A 30 -0.991 5.268 -7.208 1.00 35.24 C ATOM 467 OH TYR A 30 -1.548 5.793 -8.352 1.00 25.14 O ATOM 0 H TYR A 30 -0.483 5.961 -2.437 1.00 21.42 H new ATOM 0 HA TYR A 30 1.831 4.232 -1.884 1.00 41.42 H new ATOM 0 HB2 TYR A 30 1.608 3.025 -3.908 1.00 11.11 H new ATOM 0 HB3 TYR A 30 0.022 2.964 -3.165 1.00 11.11 H new ATOM 0 HD1 TYR A 30 -1.780 4.581 -4.012 1.00 2.34 H new ATOM 0 HD2 TYR A 30 1.898 3.973 -6.077 1.00 22.23 H new ATOM 0 HE1 TYR A 30 -2.772 5.516 -6.053 1.00 71.33 H new ATOM 0 HE2 TYR A 30 0.909 4.909 -8.119 1.00 15.23 H new ATOM 0 HH TYR A 30 -0.883 5.787 -9.072 1.00 25.14 H new ATOM 477 N GLN A 31 3.191 5.506 -3.699 1.00 43.33 N ATOM 478 CA GLN A 31 4.036 6.478 -4.384 1.00 22.22 C ATOM 479 C GLN A 31 4.900 5.799 -5.441 1.00 62.52 C ATOM 480 O GLN A 31 5.150 4.594 -5.375 1.00 52.42 O ATOM 481 CB GLN A 31 4.924 7.212 -3.377 1.00 71.13 C ATOM 482 CG GLN A 31 4.210 7.569 -2.084 1.00 1.33 C ATOM 483 CD GLN A 31 5.024 8.500 -1.206 1.00 55.33 C ATOM 484 OE1 GLN A 31 5.178 8.265 -0.008 1.00 1.15 O ATOM 485 NE2 GLN A 31 5.549 9.565 -1.800 1.00 42.33 N ATOM 0 H GLN A 31 3.635 4.603 -3.534 1.00 43.33 H new ATOM 0 HA GLN A 31 3.387 7.200 -4.880 1.00 22.22 H new ATOM 0 HB2 GLN A 31 5.788 6.589 -3.145 1.00 71.13 H new ATOM 0 HB3 GLN A 31 5.303 8.125 -3.837 1.00 71.13 H new ATOM 0 HG2 GLN A 31 3.255 8.039 -2.319 1.00 1.33 H new ATOM 0 HG3 GLN A 31 3.988 6.656 -1.532 1.00 1.33 H new ATOM 0 HE21 GLN A 31 5.396 9.721 -2.796 1.00 42.33 H new ATOM 0 HE22 GLN A 31 6.106 10.228 -1.260 1.00 42.33 H new ATOM 494 N THR A 32 5.355 6.578 -6.417 1.00 53.33 N ATOM 495 CA THR A 32 6.189 6.052 -7.490 1.00 4.11 C ATOM 496 C THR A 32 7.669 6.248 -7.181 1.00 63.42 C ATOM 497 O THR A 32 8.067 7.274 -6.631 1.00 21.20 O ATOM 498 CB THR A 32 5.864 6.725 -8.837 1.00 3.54 C ATOM 499 OG1 THR A 32 4.495 7.145 -8.857 1.00 5.55 O ATOM 500 CG2 THR A 32 6.125 5.774 -9.994 1.00 71.34 C ATOM 0 H THR A 32 5.160 7.577 -6.486 1.00 53.33 H new ATOM 0 HA THR A 32 5.973 4.986 -7.564 1.00 4.11 H new ATOM 0 HB THR A 32 6.512 7.594 -8.949 1.00 3.54 H new ATOM 0 HG1 THR A 32 4.297 7.573 -9.716 1.00 5.55 H new ATOM 0 HG21 THR A 32 5.888 6.272 -10.934 1.00 71.34 H new ATOM 0 HG22 THR A 32 7.174 5.480 -9.993 1.00 71.34 H new ATOM 0 HG23 THR A 32 5.500 4.888 -9.885 1.00 71.34 H new ATOM 508 N GLU A 33 8.480 5.257 -7.540 1.00 31.34 N ATOM 509 CA GLU A 33 9.917 5.322 -7.300 1.00 32.50 C ATOM 510 C GLU A 33 10.689 4.670 -8.443 1.00 60.44 C ATOM 511 O GLU A 33 10.117 3.947 -9.259 1.00 30.23 O ATOM 512 CB GLU A 33 10.267 4.636 -5.977 1.00 41.35 C ATOM 513 CG GLU A 33 10.042 5.515 -4.758 1.00 45.15 C ATOM 514 CD GLU A 33 9.298 4.796 -3.650 1.00 65.00 C ATOM 515 OE1 GLU A 33 8.065 4.639 -3.767 1.00 43.11 O ATOM 516 OE2 GLU A 33 9.950 4.390 -2.665 1.00 65.22 O ATOM 0 H GLU A 33 8.167 4.401 -7.997 1.00 31.34 H new ATOM 0 HA GLU A 33 10.203 6.372 -7.243 1.00 32.50 H new ATOM 0 HB2 GLU A 33 9.668 3.731 -5.877 1.00 41.35 H new ATOM 0 HB3 GLU A 33 11.312 4.326 -6.003 1.00 41.35 H new ATOM 0 HG2 GLU A 33 11.005 5.859 -4.380 1.00 45.15 H new ATOM 0 HG3 GLU A 33 9.480 6.401 -5.052 1.00 45.15 H new ATOM 523 N GLN A 34 11.991 4.932 -8.495 1.00 70.34 N ATOM 524 CA GLN A 34 12.841 4.372 -9.539 1.00 63.31 C ATOM 525 C GLN A 34 13.554 3.117 -9.046 1.00 33.42 C ATOM 526 O GLN A 34 14.264 3.148 -8.042 1.00 43.10 O ATOM 527 CB GLN A 34 13.868 5.407 -10.000 1.00 42.41 C ATOM 528 CG GLN A 34 13.597 5.955 -11.392 1.00 0.41 C ATOM 529 CD GLN A 34 14.720 5.658 -12.365 1.00 64.24 C ATOM 530 OE1 GLN A 34 15.880 5.528 -11.972 1.00 70.41 O ATOM 531 NE2 GLN A 34 14.382 5.548 -13.645 1.00 10.23 N ATOM 0 H GLN A 34 12.480 5.528 -7.827 1.00 70.34 H new ATOM 0 HA GLN A 34 12.206 4.100 -10.382 1.00 63.31 H new ATOM 0 HB2 GLN A 34 13.882 6.234 -9.290 1.00 42.41 H new ATOM 0 HB3 GLN A 34 14.860 4.955 -9.983 1.00 42.41 H new ATOM 0 HG2 GLN A 34 12.669 5.527 -11.772 1.00 0.41 H new ATOM 0 HG3 GLN A 34 13.450 7.033 -11.331 1.00 0.41 H new ATOM 0 HE21 GLN A 34 13.409 5.663 -13.927 1.00 10.23 H new ATOM 0 HE22 GLN A 34 15.096 5.348 -14.346 1.00 10.23 H new ATOM 540 N GLY A 35 13.358 2.012 -9.759 1.00 33.41 N ATOM 541 CA GLY A 35 13.987 0.761 -9.377 1.00 45.14 C ATOM 542 C GLY A 35 14.416 -0.061 -10.576 1.00 64.53 C ATOM 543 O GLY A 35 15.057 0.453 -11.492 1.00 24.10 O ATOM 0 H GLY A 35 12.775 1.961 -10.594 1.00 33.41 H new ATOM 0 HA2 GLY A 35 14.856 0.970 -8.754 1.00 45.14 H new ATOM 0 HA3 GLY A 35 13.293 0.179 -8.771 1.00 45.14 H new ATOM 547 N GLU A 36 14.063 -1.343 -10.570 1.00 22.13 N ATOM 548 CA GLU A 36 14.418 -2.238 -11.665 1.00 24.24 C ATOM 549 C GLU A 36 14.158 -1.576 -13.015 1.00 30.52 C ATOM 550 O GLU A 36 13.034 -1.175 -13.315 1.00 0.05 O ATOM 551 CB GLU A 36 13.627 -3.544 -11.563 1.00 13.41 C ATOM 552 CG GLU A 36 12.154 -3.339 -11.250 1.00 71.44 C ATOM 553 CD GLU A 36 11.355 -4.625 -11.339 1.00 30.32 C ATOM 554 OE1 GLU A 36 11.247 -5.329 -10.313 1.00 15.20 O ATOM 555 OE2 GLU A 36 10.838 -4.927 -12.435 1.00 31.52 O ATOM 0 H GLU A 36 13.532 -1.785 -9.819 1.00 22.13 H new ATOM 0 HA GLU A 36 15.482 -2.460 -11.588 1.00 24.24 H new ATOM 0 HB2 GLU A 36 13.718 -4.089 -12.503 1.00 13.41 H new ATOM 0 HB3 GLU A 36 14.071 -4.169 -10.788 1.00 13.41 H new ATOM 0 HG2 GLU A 36 12.054 -2.922 -10.248 1.00 71.44 H new ATOM 0 HG3 GLU A 36 11.737 -2.608 -11.943 1.00 71.44 H new ATOM 562 N ALA A 37 15.206 -1.466 -13.825 1.00 33.21 N ATOM 563 CA ALA A 37 15.091 -0.855 -15.143 1.00 71.23 C ATOM 564 C ALA A 37 14.535 0.561 -15.045 1.00 51.33 C ATOM 565 O ALA A 37 14.203 1.035 -13.959 1.00 73.54 O ATOM 566 CB ALA A 37 14.212 -1.708 -16.046 1.00 34.24 C ATOM 0 H ALA A 37 16.144 -1.792 -13.591 1.00 33.21 H new ATOM 0 HA ALA A 37 16.089 -0.796 -15.577 1.00 71.23 H new ATOM 0 HB1 ALA A 37 14.135 -1.239 -17.027 1.00 34.24 H new ATOM 0 HB2 ALA A 37 14.652 -2.700 -16.151 1.00 34.24 H new ATOM 0 HB3 ALA A 37 13.218 -1.797 -15.608 1.00 34.24 H new ATOM 572 N GLY A 38 14.437 1.234 -16.188 1.00 10.30 N ATOM 573 CA GLY A 38 13.922 2.591 -16.208 1.00 74.32 C ATOM 574 C GLY A 38 12.473 2.667 -15.767 1.00 5.41 C ATOM 575 O GLY A 38 11.962 3.748 -15.478 1.00 41.44 O ATOM 0 H GLY A 38 14.705 0.864 -17.100 1.00 10.30 H new ATOM 0 HA2 GLY A 38 14.531 3.217 -15.556 1.00 74.32 H new ATOM 0 HA3 GLY A 38 14.014 2.997 -17.216 1.00 74.32 H new ATOM 579 N ASN A 39 11.810 1.517 -15.716 1.00 24.43 N ATOM 580 CA ASN A 39 10.411 1.458 -15.309 1.00 1.34 C ATOM 581 C ASN A 39 10.229 2.029 -13.906 1.00 35.15 C ATOM 582 O ASN A 39 11.169 2.557 -13.312 1.00 65.21 O ATOM 583 CB ASN A 39 9.905 0.015 -15.354 1.00 51.13 C ATOM 584 CG ASN A 39 10.177 -0.651 -16.689 1.00 63.11 C ATOM 585 OD1 ASN A 39 10.281 0.016 -17.719 1.00 30.23 O ATOM 586 ND2 ASN A 39 10.294 -1.974 -16.677 1.00 3.11 N ATOM 0 H ASN A 39 12.219 0.613 -15.952 1.00 24.43 H new ATOM 0 HA ASN A 39 9.830 2.061 -16.006 1.00 1.34 H new ATOM 0 HB2 ASN A 39 10.382 -0.560 -14.560 1.00 51.13 H new ATOM 0 HB3 ASN A 39 8.833 0.002 -15.156 1.00 51.13 H new ATOM 0 HD21 ASN A 39 10.477 -2.478 -17.545 1.00 3.11 H new ATOM 0 HD22 ASN A 39 10.200 -2.486 -15.800 1.00 3.11 H new ATOM 593 N ILE A 40 9.013 1.918 -13.382 1.00 15.35 N ATOM 594 CA ILE A 40 8.707 2.422 -12.048 1.00 62.50 C ATOM 595 C ILE A 40 7.945 1.384 -11.230 1.00 51.53 C ATOM 596 O ILE A 40 7.441 0.399 -11.771 1.00 43.42 O ATOM 597 CB ILE A 40 7.879 3.718 -12.112 1.00 1.43 C ATOM 598 CG1 ILE A 40 6.897 3.665 -13.284 1.00 43.40 C ATOM 599 CG2 ILE A 40 8.796 4.927 -12.235 1.00 75.54 C ATOM 600 CD1 ILE A 40 5.982 4.867 -13.360 1.00 51.24 C ATOM 0 H ILE A 40 8.224 1.484 -13.860 1.00 15.35 H new ATOM 0 HA ILE A 40 9.660 2.634 -11.564 1.00 62.50 H new ATOM 0 HB ILE A 40 7.308 3.813 -11.189 1.00 1.43 H new ATOM 0 HG12 ILE A 40 7.459 3.587 -14.215 1.00 43.40 H new ATOM 0 HG13 ILE A 40 6.292 2.762 -13.200 1.00 43.40 H new ATOM 0 HG21 ILE A 40 8.196 5.836 -12.279 1.00 75.54 H new ATOM 0 HG22 ILE A 40 9.458 4.971 -11.370 1.00 75.54 H new ATOM 0 HG23 ILE A 40 9.392 4.841 -13.144 1.00 75.54 H new ATOM 0 HD11 ILE A 40 5.313 4.762 -14.214 1.00 51.24 H new ATOM 0 HD12 ILE A 40 5.394 4.935 -12.445 1.00 51.24 H new ATOM 0 HD13 ILE A 40 6.579 5.772 -13.476 1.00 51.24 H new ATOM 612 N HIS A 41 7.862 1.613 -9.923 1.00 43.45 N ATOM 613 CA HIS A 41 7.159 0.700 -9.030 1.00 73.12 C ATOM 614 C HIS A 41 6.362 1.471 -7.982 1.00 23.11 C ATOM 615 O HIS A 41 6.636 2.642 -7.717 1.00 73.21 O ATOM 616 CB HIS A 41 8.150 -0.241 -8.344 1.00 51.15 C ATOM 617 CG HIS A 41 9.365 0.454 -7.812 1.00 11.14 C ATOM 618 ND1 HIS A 41 10.541 -0.204 -7.521 1.00 4.42 N ATOM 619 CD2 HIS A 41 9.582 1.758 -7.519 1.00 20.33 C ATOM 620 CE1 HIS A 41 11.429 0.665 -7.070 1.00 61.14 C ATOM 621 NE2 HIS A 41 10.872 1.862 -7.060 1.00 1.52 N ATOM 0 H HIS A 41 8.273 2.423 -9.459 1.00 43.45 H new ATOM 0 HA HIS A 41 6.464 0.110 -9.628 1.00 73.12 H new ATOM 0 HB2 HIS A 41 7.645 -0.752 -7.524 1.00 51.15 H new ATOM 0 HB3 HIS A 41 8.461 -1.008 -9.054 1.00 51.15 H new ATOM 0 HD1 HIS A 41 10.701 -1.205 -7.636 1.00 4.42 H new ATOM 0 HD2 HIS A 41 8.873 2.566 -7.626 1.00 20.33 H new ATOM 0 HE1 HIS A 41 12.438 0.435 -6.762 1.00 61.14 H new ATOM 629 N PHE A 42 5.376 0.807 -7.389 1.00 33.12 N ATOM 630 CA PHE A 42 4.538 1.430 -6.371 1.00 4.33 C ATOM 631 C PHE A 42 4.911 0.930 -4.978 1.00 63.44 C ATOM 632 O PHE A 42 5.137 -0.263 -4.777 1.00 61.31 O ATOM 633 CB PHE A 42 3.061 1.144 -6.649 1.00 64.23 C ATOM 634 CG PHE A 42 2.595 1.646 -7.986 1.00 0.02 C ATOM 635 CD1 PHE A 42 3.253 2.689 -8.617 1.00 2.22 C ATOM 636 CD2 PHE A 42 1.498 1.075 -8.611 1.00 0.22 C ATOM 637 CE1 PHE A 42 2.827 3.154 -9.847 1.00 31.41 C ATOM 638 CE2 PHE A 42 1.067 1.535 -9.841 1.00 5.00 C ATOM 639 CZ PHE A 42 1.732 2.576 -10.459 1.00 51.32 C ATOM 0 H PHE A 42 5.137 -0.163 -7.596 1.00 33.12 H new ATOM 0 HA PHE A 42 4.705 2.506 -6.409 1.00 4.33 H new ATOM 0 HB2 PHE A 42 2.891 0.069 -6.594 1.00 64.23 H new ATOM 0 HB3 PHE A 42 2.457 1.603 -5.867 1.00 64.23 H new ATOM 0 HD1 PHE A 42 4.109 3.144 -8.142 1.00 2.22 H new ATOM 0 HD2 PHE A 42 0.974 0.261 -8.132 1.00 0.22 H new ATOM 0 HE1 PHE A 42 3.349 3.968 -10.328 1.00 31.41 H new ATOM 0 HE2 PHE A 42 0.211 1.081 -10.318 1.00 5.00 H new ATOM 0 HZ PHE A 42 1.396 2.938 -11.420 1.00 51.32 H new ATOM 649 N GLN A 43 4.974 1.850 -4.022 1.00 42.51 N ATOM 650 CA GLN A 43 5.321 1.503 -2.649 1.00 71.11 C ATOM 651 C GLN A 43 4.557 2.374 -1.658 1.00 1.25 C ATOM 652 O GLN A 43 4.476 3.591 -1.819 1.00 5.22 O ATOM 653 CB GLN A 43 6.827 1.656 -2.427 1.00 15.15 C ATOM 654 CG GLN A 43 7.564 0.331 -2.324 1.00 23.02 C ATOM 655 CD GLN A 43 8.896 0.347 -3.048 1.00 71.32 C ATOM 656 OE1 GLN A 43 9.956 0.325 -2.423 1.00 3.53 O ATOM 657 NE2 GLN A 43 8.848 0.384 -4.375 1.00 20.22 N ATOM 0 H GLN A 43 4.789 2.842 -4.173 1.00 42.51 H new ATOM 0 HA GLN A 43 5.041 0.463 -2.481 1.00 71.11 H new ATOM 0 HB2 GLN A 43 7.250 2.235 -3.248 1.00 15.15 H new ATOM 0 HB3 GLN A 43 6.995 2.228 -1.514 1.00 15.15 H new ATOM 0 HG2 GLN A 43 7.729 0.092 -1.273 1.00 23.02 H new ATOM 0 HG3 GLN A 43 6.939 -0.461 -2.737 1.00 23.02 H new ATOM 0 HE21 GLN A 43 7.947 0.401 -4.852 1.00 20.22 H new ATOM 0 HE22 GLN A 43 9.712 0.395 -4.916 1.00 20.22 H new ATOM 666 N GLY A 44 3.997 1.742 -0.631 1.00 12.04 N ATOM 667 CA GLY A 44 3.246 2.475 0.372 1.00 40.33 C ATOM 668 C GLY A 44 2.490 1.560 1.315 1.00 42.15 C ATOM 669 O GLY A 44 2.715 0.350 1.329 1.00 24.34 O ATOM 0 H GLY A 44 4.050 0.735 -0.476 1.00 12.04 H new ATOM 0 HA2 GLY A 44 3.929 3.100 0.947 1.00 40.33 H new ATOM 0 HA3 GLY A 44 2.542 3.144 -0.123 1.00 40.33 H new ATOM 673 N TYR A 45 1.592 2.138 2.105 1.00 45.45 N ATOM 674 CA TYR A 45 0.804 1.367 3.058 1.00 52.10 C ATOM 675 C TYR A 45 -0.688 1.515 2.776 1.00 33.05 C ATOM 676 O TYR A 45 -1.156 2.589 2.397 1.00 70.25 O ATOM 677 CB TYR A 45 1.111 1.816 4.488 1.00 44.15 C ATOM 678 CG TYR A 45 0.587 3.196 4.815 1.00 61.02 C ATOM 679 CD1 TYR A 45 -0.722 3.380 5.242 1.00 75.44 C ATOM 680 CD2 TYR A 45 1.401 4.316 4.697 1.00 55.05 C ATOM 681 CE1 TYR A 45 -1.206 4.638 5.541 1.00 13.52 C ATOM 682 CE2 TYR A 45 0.926 5.578 4.995 1.00 12.43 C ATOM 683 CZ TYR A 45 -0.378 5.735 5.417 1.00 72.50 C ATOM 684 OH TYR A 45 -0.855 6.991 5.714 1.00 33.42 O ATOM 0 H TYR A 45 1.392 3.138 2.104 1.00 45.45 H new ATOM 0 HA TYR A 45 1.074 0.317 2.949 1.00 52.10 H new ATOM 0 HB2 TYR A 45 0.680 1.098 5.186 1.00 44.15 H new ATOM 0 HB3 TYR A 45 2.190 1.801 4.641 1.00 44.15 H new ATOM 0 HD1 TYR A 45 -1.373 2.524 5.342 1.00 75.44 H new ATOM 0 HD2 TYR A 45 2.422 4.198 4.367 1.00 55.05 H new ATOM 0 HE1 TYR A 45 -2.227 4.763 5.870 1.00 13.52 H new ATOM 0 HE2 TYR A 45 1.572 6.438 4.898 1.00 12.43 H new ATOM 0 HH TYR A 45 -0.145 7.652 5.575 1.00 33.42 H new ATOM 694 N ILE A 46 -1.430 0.429 2.966 1.00 21.14 N ATOM 695 CA ILE A 46 -2.869 0.437 2.735 1.00 10.21 C ATOM 696 C ILE A 46 -3.615 -0.222 3.890 1.00 12.42 C ATOM 697 O ILE A 46 -3.311 -1.350 4.274 1.00 33.44 O ATOM 698 CB ILE A 46 -3.233 -0.286 1.425 1.00 42.12 C ATOM 699 CG1 ILE A 46 -2.349 0.212 0.280 1.00 43.14 C ATOM 700 CG2 ILE A 46 -4.703 -0.077 1.095 1.00 33.23 C ATOM 701 CD1 ILE A 46 -2.552 -0.545 -1.014 1.00 54.11 C ATOM 0 H ILE A 46 -1.058 -0.468 3.279 1.00 21.14 H new ATOM 0 HA ILE A 46 -3.170 1.482 2.660 1.00 10.21 H new ATOM 0 HB ILE A 46 -3.059 -1.354 1.556 1.00 42.12 H new ATOM 0 HG12 ILE A 46 -2.552 1.269 0.109 1.00 43.14 H new ATOM 0 HG13 ILE A 46 -1.304 0.132 0.578 1.00 43.14 H new ATOM 0 HG21 ILE A 46 -4.945 -0.594 0.166 1.00 33.23 H new ATOM 0 HG22 ILE A 46 -5.317 -0.475 1.903 1.00 33.23 H new ATOM 0 HG23 ILE A 46 -4.902 0.988 0.979 1.00 33.23 H new ATOM 0 HD11 ILE A 46 -1.893 -0.138 -1.781 1.00 54.11 H new ATOM 0 HD12 ILE A 46 -2.321 -1.599 -0.859 1.00 54.11 H new ATOM 0 HD13 ILE A 46 -3.589 -0.444 -1.336 1.00 54.11 H new ATOM 713 N GLU A 47 -4.594 0.491 4.438 1.00 14.24 N ATOM 714 CA GLU A 47 -5.385 -0.026 5.549 1.00 10.43 C ATOM 715 C GLU A 47 -6.748 -0.513 5.066 1.00 30.35 C ATOM 716 O GLU A 47 -7.538 0.258 4.522 1.00 24.23 O ATOM 717 CB GLU A 47 -5.567 1.052 6.620 1.00 43.30 C ATOM 718 CG GLU A 47 -4.294 1.821 6.932 1.00 43.02 C ATOM 719 CD GLU A 47 -4.266 2.352 8.352 1.00 22.41 C ATOM 720 OE1 GLU A 47 -4.743 1.641 9.261 1.00 24.31 O ATOM 721 OE2 GLU A 47 -3.766 3.478 8.554 1.00 53.40 O ATOM 0 H GLU A 47 -4.858 1.427 4.131 1.00 14.24 H new ATOM 0 HA GLU A 47 -4.848 -0.871 5.981 1.00 10.43 H new ATOM 0 HB2 GLU A 47 -6.334 1.753 6.291 1.00 43.30 H new ATOM 0 HB3 GLU A 47 -5.933 0.585 7.535 1.00 43.30 H new ATOM 0 HG2 GLU A 47 -3.433 1.171 6.774 1.00 43.02 H new ATOM 0 HG3 GLU A 47 -4.197 2.653 6.235 1.00 43.02 H new ATOM 728 N MET A 48 -7.016 -1.799 5.270 1.00 62.13 N ATOM 729 CA MET A 48 -8.283 -2.390 4.856 1.00 72.02 C ATOM 730 C MET A 48 -9.379 -2.095 5.875 1.00 31.10 C ATOM 731 O MET A 48 -9.147 -1.409 6.871 1.00 60.22 O ATOM 732 CB MET A 48 -8.131 -3.902 4.676 1.00 10.32 C ATOM 733 CG MET A 48 -7.341 -4.290 3.437 1.00 4.11 C ATOM 734 SD MET A 48 -8.274 -5.358 2.324 1.00 31.33 S ATOM 735 CE MET A 48 -9.089 -4.142 1.292 1.00 33.52 C ATOM 0 H MET A 48 -6.373 -2.451 5.719 1.00 62.13 H new ATOM 0 HA MET A 48 -8.568 -1.945 3.903 1.00 72.02 H new ATOM 0 HB2 MET A 48 -7.638 -4.317 5.556 1.00 10.32 H new ATOM 0 HB3 MET A 48 -9.121 -4.355 4.622 1.00 10.32 H new ATOM 0 HG2 MET A 48 -7.043 -3.387 2.903 1.00 4.11 H new ATOM 0 HG3 MET A 48 -6.425 -4.798 3.739 1.00 4.11 H new ATOM 0 HE1 MET A 48 -10.162 -4.161 1.486 1.00 33.52 H new ATOM 0 HE2 MET A 48 -8.697 -3.151 1.519 1.00 33.52 H new ATOM 0 HE3 MET A 48 -8.906 -4.374 0.243 1.00 33.52 H new ATOM 745 N LYS A 49 -10.574 -2.617 5.620 1.00 30.10 N ATOM 746 CA LYS A 49 -11.706 -2.411 6.515 1.00 33.12 C ATOM 747 C LYS A 49 -11.332 -2.753 7.954 1.00 42.12 C ATOM 748 O LYS A 49 -11.416 -1.908 8.846 1.00 60.42 O ATOM 749 CB LYS A 49 -12.896 -3.264 6.070 1.00 34.34 C ATOM 750 CG LYS A 49 -14.184 -2.475 5.907 1.00 3.34 C ATOM 751 CD LYS A 49 -15.051 -3.044 4.797 1.00 25.50 C ATOM 752 CE LYS A 49 -15.988 -4.122 5.319 1.00 33.04 C ATOM 753 NZ LYS A 49 -17.352 -3.588 5.587 1.00 14.02 N ATOM 0 H LYS A 49 -10.783 -3.186 4.800 1.00 30.10 H new ATOM 0 HA LYS A 49 -11.984 -1.358 6.471 1.00 33.12 H new ATOM 0 HB2 LYS A 49 -12.653 -3.746 5.123 1.00 34.34 H new ATOM 0 HB3 LYS A 49 -13.056 -4.058 6.800 1.00 34.34 H new ATOM 0 HG2 LYS A 49 -14.739 -2.486 6.845 1.00 3.34 H new ATOM 0 HG3 LYS A 49 -13.948 -1.434 5.688 1.00 3.34 H new ATOM 0 HD2 LYS A 49 -15.634 -2.243 4.342 1.00 25.50 H new ATOM 0 HD3 LYS A 49 -14.416 -3.460 4.015 1.00 25.50 H new ATOM 0 HE2 LYS A 49 -16.051 -4.932 4.592 1.00 33.04 H new ATOM 0 HE3 LYS A 49 -15.578 -4.547 6.235 1.00 33.04 H new ATOM 0 HZ1 LYS A 49 -17.961 -4.353 5.941 1.00 14.02 H new ATOM 0 HZ2 LYS A 49 -17.295 -2.833 6.299 1.00 14.02 H new ATOM 0 HZ3 LYS A 49 -17.754 -3.205 4.708 1.00 14.02 H new ATOM 767 N LYS A 50 -10.917 -3.996 8.173 1.00 43.11 N ATOM 768 CA LYS A 50 -10.526 -4.450 9.502 1.00 10.54 C ATOM 769 C LYS A 50 -10.121 -5.920 9.478 1.00 13.05 C ATOM 770 O LYS A 50 -8.937 -6.248 9.544 1.00 24.53 O ATOM 771 CB LYS A 50 -11.674 -4.242 10.492 1.00 13.35 C ATOM 772 CG LYS A 50 -11.391 -3.176 11.537 1.00 55.21 C ATOM 773 CD LYS A 50 -12.661 -2.745 12.252 1.00 30.33 C ATOM 774 CE LYS A 50 -12.745 -1.232 12.377 1.00 4.31 C ATOM 775 NZ LYS A 50 -13.620 -0.816 13.507 1.00 15.14 N ATOM 0 H LYS A 50 -10.843 -4.708 7.446 1.00 43.11 H new ATOM 0 HA LYS A 50 -9.667 -3.860 9.822 1.00 10.54 H new ATOM 0 HB2 LYS A 50 -12.573 -3.968 9.940 1.00 13.35 H new ATOM 0 HB3 LYS A 50 -11.884 -5.186 10.995 1.00 13.35 H new ATOM 0 HG2 LYS A 50 -10.675 -3.559 12.264 1.00 55.21 H new ATOM 0 HG3 LYS A 50 -10.929 -2.311 11.060 1.00 55.21 H new ATOM 0 HD2 LYS A 50 -13.530 -3.115 11.707 1.00 30.33 H new ATOM 0 HD3 LYS A 50 -12.692 -3.195 13.244 1.00 30.33 H new ATOM 0 HE2 LYS A 50 -11.745 -0.824 12.523 1.00 4.31 H new ATOM 0 HE3 LYS A 50 -13.128 -0.812 11.447 1.00 4.31 H new ATOM 0 HZ1 LYS A 50 -13.651 0.222 13.558 1.00 15.14 H new ATOM 0 HZ2 LYS A 50 -14.581 -1.184 13.356 1.00 15.14 H new ATOM 0 HZ3 LYS A 50 -13.240 -1.195 14.398 1.00 15.14 H new ATOM 789 N ARG A 51 -11.112 -6.800 9.383 1.00 73.34 N ATOM 790 CA ARG A 51 -10.859 -8.236 9.350 1.00 44.44 C ATOM 791 C ARG A 51 -10.691 -8.725 7.914 1.00 33.31 C ATOM 792 O ARG A 51 -11.402 -9.625 7.466 1.00 34.41 O ATOM 793 CB ARG A 51 -12.002 -8.993 10.028 1.00 43.20 C ATOM 794 CG ARG A 51 -11.588 -10.341 10.594 1.00 25.23 C ATOM 795 CD ARG A 51 -12.544 -10.806 11.681 1.00 23.24 C ATOM 796 NE ARG A 51 -11.874 -10.962 12.970 1.00 64.13 N ATOM 797 CZ ARG A 51 -11.158 -12.031 13.301 1.00 33.14 C ATOM 798 NH1 ARG A 51 -11.021 -13.033 12.444 1.00 45.21 N ATOM 799 NH2 ARG A 51 -10.578 -12.099 14.493 1.00 35.20 N ATOM 0 H ARG A 51 -12.098 -6.544 9.327 1.00 73.34 H new ATOM 0 HA ARG A 51 -9.933 -8.429 9.892 1.00 44.44 H new ATOM 0 HB2 ARG A 51 -12.406 -8.379 10.833 1.00 43.20 H new ATOM 0 HB3 ARG A 51 -12.806 -9.142 9.307 1.00 43.20 H new ATOM 0 HG2 ARG A 51 -11.559 -11.080 9.793 1.00 25.23 H new ATOM 0 HG3 ARG A 51 -10.579 -10.272 11.001 1.00 25.23 H new ATOM 0 HD2 ARG A 51 -13.357 -10.087 11.780 1.00 23.24 H new ATOM 0 HD3 ARG A 51 -12.992 -11.756 11.388 1.00 23.24 H new ATOM 0 HE ARG A 51 -11.961 -10.209 13.653 1.00 64.13 H new ATOM 0 HH11 ARG A 51 -11.466 -12.985 11.527 1.00 45.21 H new ATOM 0 HH12 ARG A 51 -10.471 -13.852 12.701 1.00 45.21 H new ATOM 0 HH21 ARG A 51 -10.682 -11.330 15.155 1.00 35.20 H new ATOM 0 HH22 ARG A 51 -10.028 -12.920 14.747 1.00 35.20 H new ATOM 813 N THR A 52 -9.746 -8.126 7.196 1.00 32.11 N ATOM 814 CA THR A 52 -9.486 -8.499 5.811 1.00 33.25 C ATOM 815 C THR A 52 -8.072 -9.043 5.645 1.00 71.12 C ATOM 816 O THR A 52 -7.093 -8.326 5.848 1.00 42.51 O ATOM 817 CB THR A 52 -9.679 -7.302 4.861 1.00 30.15 C ATOM 818 OG1 THR A 52 -10.480 -6.298 5.495 1.00 60.14 O ATOM 819 CG2 THR A 52 -10.340 -7.742 3.564 1.00 13.10 C ATOM 0 H THR A 52 -9.148 -7.380 7.551 1.00 32.11 H new ATOM 0 HA THR A 52 -10.204 -9.277 5.553 1.00 33.25 H new ATOM 0 HB THR A 52 -8.698 -6.889 4.628 1.00 30.15 H new ATOM 0 HG1 THR A 52 -10.862 -5.706 4.814 1.00 60.14 H new ATOM 0 HG21 THR A 52 -10.466 -6.880 2.909 1.00 13.10 H new ATOM 0 HG22 THR A 52 -9.713 -8.485 3.070 1.00 13.10 H new ATOM 0 HG23 THR A 52 -11.315 -8.177 3.782 1.00 13.10 H new ATOM 827 N SER A 53 -7.972 -10.315 5.273 1.00 34.42 N ATOM 828 CA SER A 53 -6.677 -10.957 5.082 1.00 3.41 C ATOM 829 C SER A 53 -6.038 -10.510 3.770 1.00 21.25 C ATOM 830 O SER A 53 -6.612 -9.715 3.025 1.00 33.23 O ATOM 831 CB SER A 53 -6.830 -12.479 5.096 1.00 52.34 C ATOM 832 OG SER A 53 -8.061 -12.872 4.514 1.00 61.34 O ATOM 0 H SER A 53 -8.773 -10.922 5.098 1.00 34.42 H new ATOM 0 HA SER A 53 -6.026 -10.658 5.904 1.00 3.41 H new ATOM 0 HB2 SER A 53 -6.004 -12.936 4.551 1.00 52.34 H new ATOM 0 HB3 SER A 53 -6.776 -12.844 6.122 1.00 52.34 H new ATOM 0 HG SER A 53 -8.135 -13.849 4.533 1.00 61.34 H new ATOM 838 N LEU A 54 -4.846 -11.027 3.495 1.00 63.14 N ATOM 839 CA LEU A 54 -4.127 -10.683 2.273 1.00 44.12 C ATOM 840 C LEU A 54 -5.007 -10.892 1.045 1.00 15.03 C ATOM 841 O LEU A 54 -4.859 -10.202 0.037 1.00 4.24 O ATOM 842 CB LEU A 54 -2.855 -11.525 2.152 1.00 51.34 C ATOM 843 CG LEU A 54 -1.931 -11.180 0.983 1.00 20.21 C ATOM 844 CD1 LEU A 54 -1.665 -9.683 0.936 1.00 75.52 C ATOM 845 CD2 LEU A 54 -0.624 -11.952 1.091 1.00 32.41 C ATOM 0 H LEU A 54 -4.357 -11.686 4.101 1.00 63.14 H new ATOM 0 HA LEU A 54 -3.855 -9.629 2.326 1.00 44.12 H new ATOM 0 HB2 LEU A 54 -2.289 -11.427 3.078 1.00 51.34 H new ATOM 0 HB3 LEU A 54 -3.143 -12.572 2.064 1.00 51.34 H new ATOM 0 HG LEU A 54 -2.426 -11.470 0.056 1.00 20.21 H new ATOM 0 HD11 LEU A 54 -1.006 -9.457 0.098 1.00 75.52 H new ATOM 0 HD12 LEU A 54 -2.607 -9.150 0.811 1.00 75.52 H new ATOM 0 HD13 LEU A 54 -1.191 -9.368 1.866 1.00 75.52 H new ATOM 0 HD21 LEU A 54 0.021 -11.694 0.251 1.00 32.41 H new ATOM 0 HD22 LEU A 54 -0.125 -11.693 2.025 1.00 32.41 H new ATOM 0 HD23 LEU A 54 -0.831 -13.022 1.074 1.00 32.41 H new ATOM 857 N ALA A 55 -5.927 -11.847 1.139 1.00 64.43 N ATOM 858 CA ALA A 55 -6.834 -12.144 0.038 1.00 74.34 C ATOM 859 C ALA A 55 -7.575 -10.891 -0.417 1.00 21.14 C ATOM 860 O ALA A 55 -7.901 -10.743 -1.594 1.00 23.03 O ATOM 861 CB ALA A 55 -7.824 -13.225 0.446 1.00 21.43 C ATOM 0 H ALA A 55 -6.063 -12.428 1.966 1.00 64.43 H new ATOM 0 HA ALA A 55 -6.240 -12.508 -0.800 1.00 74.34 H new ATOM 0 HB1 ALA A 55 -8.495 -13.437 -0.386 1.00 21.43 H new ATOM 0 HB2 ALA A 55 -7.282 -14.132 0.715 1.00 21.43 H new ATOM 0 HB3 ALA A 55 -8.405 -12.882 1.302 1.00 21.43 H new ATOM 867 N GLY A 56 -7.839 -9.991 0.526 1.00 44.44 N ATOM 868 CA GLY A 56 -8.540 -8.762 0.202 1.00 21.00 C ATOM 869 C GLY A 56 -7.692 -7.809 -0.617 1.00 72.12 C ATOM 870 O GLY A 56 -8.155 -7.257 -1.615 1.00 15.14 O ATOM 0 H GLY A 56 -7.580 -10.091 1.508 1.00 44.44 H new ATOM 0 HA2 GLY A 56 -9.449 -9.001 -0.350 1.00 21.00 H new ATOM 0 HA3 GLY A 56 -8.847 -8.269 1.124 1.00 21.00 H new ATOM 874 N MET A 57 -6.447 -7.614 -0.195 1.00 33.44 N ATOM 875 CA MET A 57 -5.533 -6.721 -0.897 1.00 14.34 C ATOM 876 C MET A 57 -5.080 -7.335 -2.217 1.00 52.44 C ATOM 877 O MET A 57 -5.110 -6.681 -3.260 1.00 51.04 O ATOM 878 CB MET A 57 -4.318 -6.410 -0.022 1.00 4.25 C ATOM 879 CG MET A 57 -4.667 -5.691 1.271 1.00 33.15 C ATOM 880 SD MET A 57 -4.587 -3.897 1.112 1.00 15.14 S ATOM 881 CE MET A 57 -6.103 -3.569 0.215 1.00 5.21 C ATOM 0 H MET A 57 -6.048 -8.062 0.630 1.00 33.44 H new ATOM 0 HA MET A 57 -6.064 -5.794 -1.112 1.00 14.34 H new ATOM 0 HB2 MET A 57 -3.805 -7.342 0.217 1.00 4.25 H new ATOM 0 HB3 MET A 57 -3.618 -5.798 -0.591 1.00 4.25 H new ATOM 0 HG2 MET A 57 -5.671 -5.980 1.583 1.00 33.15 H new ATOM 0 HG3 MET A 57 -3.984 -6.013 2.057 1.00 33.15 H new ATOM 0 HE1 MET A 57 -5.863 -3.186 -0.777 1.00 5.21 H new ATOM 0 HE2 MET A 57 -6.676 -4.491 0.119 1.00 5.21 H new ATOM 0 HE3 MET A 57 -6.693 -2.830 0.756 1.00 5.21 H new ATOM 891 N LYS A 58 -4.660 -8.594 -2.166 1.00 73.11 N ATOM 892 CA LYS A 58 -4.201 -9.297 -3.358 1.00 74.31 C ATOM 893 C LYS A 58 -5.265 -9.266 -4.451 1.00 62.52 C ATOM 894 O LYS A 58 -4.947 -9.261 -5.641 1.00 14.42 O ATOM 895 CB LYS A 58 -3.848 -10.747 -3.016 1.00 53.41 C ATOM 896 CG LYS A 58 -2.621 -11.262 -3.747 1.00 23.20 C ATOM 897 CD LYS A 58 -2.449 -12.760 -3.560 1.00 61.43 C ATOM 898 CE LYS A 58 -1.892 -13.090 -2.184 1.00 21.40 C ATOM 899 NZ LYS A 58 -0.568 -12.449 -1.953 1.00 0.00 N ATOM 0 H LYS A 58 -4.628 -9.149 -1.311 1.00 73.11 H new ATOM 0 HA LYS A 58 -3.310 -8.790 -3.728 1.00 74.31 H new ATOM 0 HB2 LYS A 58 -3.681 -10.828 -1.942 1.00 53.41 H new ATOM 0 HB3 LYS A 58 -4.698 -11.385 -3.256 1.00 53.41 H new ATOM 0 HG2 LYS A 58 -2.707 -11.034 -4.810 1.00 23.20 H new ATOM 0 HG3 LYS A 58 -1.734 -10.744 -3.381 1.00 23.20 H new ATOM 0 HD2 LYS A 58 -3.410 -13.257 -3.693 1.00 61.43 H new ATOM 0 HD3 LYS A 58 -1.780 -13.149 -4.327 1.00 61.43 H new ATOM 0 HE2 LYS A 58 -2.594 -12.759 -1.419 1.00 21.40 H new ATOM 0 HE3 LYS A 58 -1.795 -14.171 -2.081 1.00 21.40 H new ATOM 0 HZ1 LYS A 58 -0.023 -13.013 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.047 -12.395 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.708 -11.490 -1.576 1.00 0.00 H new ATOM 913 N LYS A 59 -6.528 -9.245 -4.041 1.00 33.44 N ATOM 914 CA LYS A 59 -7.639 -9.212 -4.984 1.00 74.12 C ATOM 915 C LYS A 59 -7.549 -7.987 -5.888 1.00 13.52 C ATOM 916 O LYS A 59 -7.953 -8.029 -7.051 1.00 23.11 O ATOM 917 CB LYS A 59 -8.973 -9.208 -4.233 1.00 60.44 C ATOM 918 CG LYS A 59 -9.757 -10.501 -4.380 1.00 31.00 C ATOM 919 CD LYS A 59 -11.052 -10.461 -3.587 1.00 13.45 C ATOM 920 CE LYS A 59 -11.639 -11.852 -3.406 1.00 21.22 C ATOM 921 NZ LYS A 59 -12.396 -12.296 -4.609 1.00 41.41 N ATOM 0 H LYS A 59 -6.808 -9.250 -3.060 1.00 33.44 H new ATOM 0 HA LYS A 59 -7.582 -10.106 -5.606 1.00 74.12 H new ATOM 0 HB2 LYS A 59 -8.784 -9.025 -3.175 1.00 60.44 H new ATOM 0 HB3 LYS A 59 -9.582 -8.380 -4.596 1.00 60.44 H new ATOM 0 HG2 LYS A 59 -9.979 -10.675 -5.433 1.00 31.00 H new ATOM 0 HG3 LYS A 59 -9.147 -11.338 -4.040 1.00 31.00 H new ATOM 0 HD2 LYS A 59 -10.868 -10.013 -2.611 1.00 13.45 H new ATOM 0 HD3 LYS A 59 -11.774 -9.824 -4.099 1.00 13.45 H new ATOM 0 HE2 LYS A 59 -10.837 -12.561 -3.200 1.00 21.22 H new ATOM 0 HE3 LYS A 59 -12.300 -11.857 -2.539 1.00 21.22 H new ATOM 0 HZ1 LYS A 59 -12.780 -13.249 -4.445 1.00 41.41 H new ATOM 0 HZ2 LYS A 59 -13.177 -11.634 -4.791 1.00 41.41 H new ATOM 0 HZ3 LYS A 59 -11.760 -12.316 -5.432 1.00 41.41 H new ATOM 935 N LEU A 60 -7.017 -6.896 -5.347 1.00 31.32 N ATOM 936 CA LEU A 60 -6.872 -5.658 -6.105 1.00 74.41 C ATOM 937 C LEU A 60 -5.669 -5.730 -7.040 1.00 11.23 C ATOM 938 O LEU A 60 -5.722 -5.252 -8.173 1.00 73.14 O ATOM 939 CB LEU A 60 -6.724 -4.469 -5.154 1.00 73.24 C ATOM 940 CG LEU A 60 -8.004 -4.002 -4.459 1.00 63.23 C ATOM 941 CD1 LEU A 60 -8.453 -5.023 -3.425 1.00 64.24 C ATOM 942 CD2 LEU A 60 -7.792 -2.642 -3.811 1.00 54.33 C ATOM 0 H LEU A 60 -6.679 -6.844 -4.386 1.00 31.32 H new ATOM 0 HA LEU A 60 -7.770 -5.523 -6.708 1.00 74.41 H new ATOM 0 HB2 LEU A 60 -5.993 -4.730 -4.389 1.00 73.24 H new ATOM 0 HB3 LEU A 60 -6.312 -3.630 -5.715 1.00 73.24 H new ATOM 0 HG LEU A 60 -8.789 -3.907 -5.210 1.00 63.23 H new ATOM 0 HD11 LEU A 60 -9.365 -4.674 -2.941 1.00 64.24 H new ATOM 0 HD12 LEU A 60 -8.645 -5.977 -3.916 1.00 64.24 H new ATOM 0 HD13 LEU A 60 -7.671 -5.151 -2.677 1.00 64.24 H new ATOM 0 HD21 LEU A 60 -8.713 -2.325 -3.321 1.00 54.33 H new ATOM 0 HD22 LEU A 60 -6.993 -2.711 -3.073 1.00 54.33 H new ATOM 0 HD23 LEU A 60 -7.518 -1.914 -4.574 1.00 54.33 H new ATOM 954 N ILE A 61 -4.587 -6.331 -6.557 1.00 43.24 N ATOM 955 CA ILE A 61 -3.372 -6.468 -7.351 1.00 42.40 C ATOM 956 C ILE A 61 -2.747 -7.846 -7.167 1.00 21.35 C ATOM 957 O ILE A 61 -1.756 -8.016 -6.456 1.00 31.14 O ATOM 958 CB ILE A 61 -2.333 -5.392 -6.981 1.00 15.02 C ATOM 959 CG1 ILE A 61 -2.937 -3.995 -7.135 1.00 53.41 C ATOM 960 CG2 ILE A 61 -1.090 -5.536 -7.846 1.00 32.24 C ATOM 961 CD1 ILE A 61 -3.595 -3.478 -5.875 1.00 34.22 C ATOM 0 H ILE A 61 -4.527 -6.731 -5.620 1.00 43.24 H new ATOM 0 HA ILE A 61 -3.661 -6.339 -8.394 1.00 42.40 H new ATOM 0 HB ILE A 61 -2.044 -5.530 -5.939 1.00 15.02 H new ATOM 0 HG12 ILE A 61 -2.153 -3.300 -7.437 1.00 53.41 H new ATOM 0 HG13 ILE A 61 -3.673 -4.013 -7.938 1.00 53.41 H new ATOM 0 HG21 ILE A 61 -0.366 -4.769 -7.573 1.00 32.24 H new ATOM 0 HG22 ILE A 61 -0.651 -6.522 -7.691 1.00 32.24 H new ATOM 0 HG23 ILE A 61 -1.362 -5.421 -8.895 1.00 32.24 H new ATOM 0 HD11 ILE A 61 -4.001 -2.483 -6.058 1.00 34.22 H new ATOM 0 HD12 ILE A 61 -4.401 -4.151 -5.583 1.00 34.22 H new ATOM 0 HD13 ILE A 61 -2.858 -3.427 -5.074 1.00 34.22 H new ATOM 973 N PRO A 62 -3.337 -8.856 -7.823 1.00 32.10 N ATOM 974 CA PRO A 62 -2.854 -10.238 -7.749 1.00 62.02 C ATOM 975 C PRO A 62 -1.519 -10.424 -8.463 1.00 74.41 C ATOM 976 O PRO A 62 -1.466 -10.498 -9.690 1.00 4.11 O ATOM 977 CB PRO A 62 -3.953 -11.036 -8.454 1.00 34.51 C ATOM 978 CG PRO A 62 -4.597 -10.061 -9.377 1.00 54.23 C ATOM 979 CD PRO A 62 -4.522 -8.726 -8.688 1.00 64.43 C ATOM 0 HA PRO A 62 -2.673 -10.552 -6.721 1.00 62.02 H new ATOM 0 HB2 PRO A 62 -3.538 -11.883 -9.000 1.00 34.51 H new ATOM 0 HB3 PRO A 62 -4.671 -11.438 -7.739 1.00 34.51 H new ATOM 0 HG2 PRO A 62 -4.082 -10.034 -10.337 1.00 54.23 H new ATOM 0 HG3 PRO A 62 -5.632 -10.339 -9.578 1.00 54.23 H new ATOM 0 HD2 PRO A 62 -4.411 -7.910 -9.403 1.00 64.43 H new ATOM 0 HD3 PRO A 62 -5.422 -8.521 -8.109 1.00 64.43 H new ATOM 987 N GLY A 63 -0.443 -10.501 -7.686 1.00 50.50 N ATOM 988 CA GLY A 63 0.877 -10.678 -8.262 1.00 51.14 C ATOM 989 C GLY A 63 1.876 -9.660 -7.748 1.00 32.40 C ATOM 990 O GLY A 63 2.761 -9.223 -8.483 1.00 14.12 O ATOM 0 H GLY A 63 -0.462 -10.444 -6.668 1.00 50.50 H new ATOM 0 HA2 GLY A 63 1.237 -11.682 -8.036 1.00 51.14 H new ATOM 0 HA3 GLY A 63 0.810 -10.600 -9.347 1.00 51.14 H new ATOM 994 N ALA A 64 1.733 -9.281 -6.482 1.00 64.51 N ATOM 995 CA ALA A 64 2.631 -8.309 -5.870 1.00 72.51 C ATOM 996 C ALA A 64 3.149 -8.811 -4.527 1.00 3.24 C ATOM 997 O ALA A 64 2.668 -9.814 -3.999 1.00 72.11 O ATOM 998 CB ALA A 64 1.924 -6.973 -5.700 1.00 1.21 C ATOM 0 H ALA A 64 1.004 -9.632 -5.861 1.00 64.51 H new ATOM 0 HA ALA A 64 3.487 -8.173 -6.532 1.00 72.51 H new ATOM 0 HB1 ALA A 64 2.606 -6.256 -5.242 1.00 1.21 H new ATOM 0 HB2 ALA A 64 1.608 -6.602 -6.675 1.00 1.21 H new ATOM 0 HB3 ALA A 64 1.050 -7.102 -5.061 1.00 1.21 H new ATOM 1004 N HIS A 65 4.134 -8.107 -3.978 1.00 2.15 N ATOM 1005 CA HIS A 65 4.718 -8.481 -2.694 1.00 62.24 C ATOM 1006 C HIS A 65 4.056 -7.717 -1.552 1.00 53.23 C ATOM 1007 O HIS A 65 4.214 -6.502 -1.431 1.00 1.05 O ATOM 1008 CB HIS A 65 6.223 -8.213 -2.698 1.00 5.24 C ATOM 1009 CG HIS A 65 6.972 -8.985 -1.655 1.00 13.54 C ATOM 1010 ND1 HIS A 65 7.926 -9.932 -1.959 1.00 42.25 N ATOM 1011 CD2 HIS A 65 6.902 -8.944 -0.303 1.00 45.44 C ATOM 1012 CE1 HIS A 65 8.411 -10.441 -0.841 1.00 75.41 C ATOM 1013 NE2 HIS A 65 7.806 -9.858 0.178 1.00 22.45 N ATOM 0 H HIS A 65 4.544 -7.275 -4.402 1.00 2.15 H new ATOM 0 HA HIS A 65 4.546 -9.546 -2.541 1.00 62.24 H new ATOM 0 HB2 HIS A 65 6.625 -8.461 -3.680 1.00 5.24 H new ATOM 0 HB3 HIS A 65 6.394 -7.148 -2.543 1.00 5.24 H new ATOM 0 HD2 HIS A 65 6.256 -8.311 0.286 1.00 45.44 H new ATOM 0 HE1 HIS A 65 9.172 -11.204 -0.772 1.00 75.41 H new ATOM 0 HE2 HIS A 65 7.982 -10.055 1.163 1.00 22.45 H new ATOM 1021 N PHE A 66 3.312 -8.436 -0.718 1.00 24.30 N ATOM 1022 CA PHE A 66 2.624 -7.826 0.413 1.00 1.53 C ATOM 1023 C PHE A 66 3.218 -8.305 1.735 1.00 71.24 C ATOM 1024 O PHE A 66 3.859 -9.354 1.794 1.00 41.32 O ATOM 1025 CB PHE A 66 1.130 -8.151 0.365 1.00 71.14 C ATOM 1026 CG PHE A 66 0.306 -7.088 -0.303 1.00 41.45 C ATOM 1027 CD1 PHE A 66 0.268 -6.988 -1.685 1.00 2.31 C ATOM 1028 CD2 PHE A 66 -0.430 -6.187 0.450 1.00 21.41 C ATOM 1029 CE1 PHE A 66 -0.489 -6.010 -2.303 1.00 32.51 C ATOM 1030 CE2 PHE A 66 -1.189 -5.208 -0.162 1.00 73.53 C ATOM 1031 CZ PHE A 66 -1.218 -5.119 -1.540 1.00 71.14 C ATOM 0 H PHE A 66 3.170 -9.442 -0.805 1.00 24.30 H new ATOM 0 HA PHE A 66 2.756 -6.746 0.346 1.00 1.53 H new ATOM 0 HB2 PHE A 66 0.988 -9.094 -0.163 1.00 71.14 H new ATOM 0 HB3 PHE A 66 0.765 -8.297 1.382 1.00 71.14 H new ATOM 0 HD1 PHE A 66 0.836 -7.682 -2.286 1.00 2.31 H new ATOM 0 HD2 PHE A 66 -0.410 -6.251 1.528 1.00 21.41 H new ATOM 0 HE1 PHE A 66 -0.510 -5.943 -3.381 1.00 32.51 H new ATOM 0 HE2 PHE A 66 -1.759 -4.513 0.437 1.00 73.53 H new ATOM 0 HZ PHE A 66 -1.810 -4.354 -2.020 1.00 71.14 H new ATOM 1041 N GLU A 67 2.999 -7.529 2.791 1.00 3.33 N ATOM 1042 CA GLU A 67 3.514 -7.874 4.111 1.00 0.43 C ATOM 1043 C GLU A 67 2.621 -7.304 5.209 1.00 13.15 C ATOM 1044 O GLU A 67 2.514 -6.088 5.371 1.00 52.03 O ATOM 1045 CB GLU A 67 4.943 -7.351 4.279 1.00 75.45 C ATOM 1046 CG GLU A 67 5.997 -8.445 4.253 1.00 42.10 C ATOM 1047 CD GLU A 67 7.393 -7.915 4.518 1.00 62.33 C ATOM 1048 OE1 GLU A 67 7.734 -6.845 3.971 1.00 25.24 O ATOM 1049 OE2 GLU A 67 8.144 -8.570 5.270 1.00 21.32 O ATOM 0 H GLU A 67 2.469 -6.658 2.759 1.00 3.33 H new ATOM 0 HA GLU A 67 3.520 -8.961 4.198 1.00 0.43 H new ATOM 0 HB2 GLU A 67 5.155 -6.635 3.485 1.00 75.45 H new ATOM 0 HB3 GLU A 67 5.015 -6.811 5.223 1.00 75.45 H new ATOM 0 HG2 GLU A 67 5.751 -9.200 5.000 1.00 42.10 H new ATOM 0 HG3 GLU A 67 5.978 -8.940 3.282 1.00 42.10 H new ATOM 1056 N LYS A 68 1.980 -8.191 5.963 1.00 60.44 N ATOM 1057 CA LYS A 68 1.096 -7.780 7.047 1.00 40.34 C ATOM 1058 C LYS A 68 1.714 -8.099 8.404 1.00 62.11 C ATOM 1059 O LYS A 68 1.028 -8.094 9.426 1.00 75.23 O ATOM 1060 CB LYS A 68 -0.262 -8.474 6.917 1.00 43.24 C ATOM 1061 CG LYS A 68 -1.311 -7.941 7.877 1.00 74.44 C ATOM 1062 CD LYS A 68 -1.322 -6.422 7.905 1.00 72.24 C ATOM 1063 CE LYS A 68 -2.464 -5.889 8.756 1.00 52.53 C ATOM 1064 NZ LYS A 68 -2.450 -6.466 10.128 1.00 21.22 N ATOM 0 H LYS A 68 2.057 -9.201 5.843 1.00 60.44 H new ATOM 0 HA LYS A 68 0.954 -6.702 6.977 1.00 40.34 H new ATOM 0 HB2 LYS A 68 -0.624 -8.358 5.895 1.00 43.24 H new ATOM 0 HB3 LYS A 68 -0.133 -9.542 7.090 1.00 43.24 H new ATOM 0 HG2 LYS A 68 -2.294 -8.307 7.582 1.00 74.44 H new ATOM 0 HG3 LYS A 68 -1.116 -8.323 8.879 1.00 74.44 H new ATOM 0 HD2 LYS A 68 -0.373 -6.057 8.298 1.00 72.24 H new ATOM 0 HD3 LYS A 68 -1.414 -6.039 6.889 1.00 72.24 H new ATOM 0 HE2 LYS A 68 -2.394 -4.803 8.818 1.00 52.53 H new ATOM 0 HE3 LYS A 68 -3.414 -6.120 8.275 1.00 52.53 H new ATOM 0 HZ1 LYS A 68 -3.145 -5.969 10.721 1.00 21.22 H new ATOM 0 HZ2 LYS A 68 -2.694 -7.476 10.082 1.00 21.22 H new ATOM 0 HZ3 LYS A 68 -1.502 -6.357 10.541 1.00 21.22 H new ATOM 1078 N ARG A 69 3.014 -8.375 8.407 1.00 43.21 N ATOM 1079 CA ARG A 69 3.724 -8.696 9.639 1.00 44.20 C ATOM 1080 C ARG A 69 3.895 -7.453 10.508 1.00 73.10 C ATOM 1081 O ARG A 69 4.408 -7.530 11.624 1.00 3.22 O ATOM 1082 CB ARG A 69 5.093 -9.300 9.321 1.00 23.41 C ATOM 1083 CG ARG A 69 5.411 -10.547 10.130 1.00 22.22 C ATOM 1084 CD ARG A 69 6.904 -10.835 10.147 1.00 44.32 C ATOM 1085 NE ARG A 69 7.357 -11.449 8.902 1.00 63.22 N ATOM 1086 CZ ARG A 69 8.625 -11.757 8.653 1.00 23.21 C ATOM 1087 NH1 ARG A 69 9.561 -11.510 9.559 1.00 1.41 N ATOM 1088 NH2 ARG A 69 8.959 -12.315 7.496 1.00 3.41 N ATOM 0 H ARG A 69 3.597 -8.383 7.570 1.00 43.21 H new ATOM 0 HA ARG A 69 3.131 -9.426 10.191 1.00 44.20 H new ATOM 0 HB2 ARG A 69 5.135 -9.545 8.260 1.00 23.41 H new ATOM 0 HB3 ARG A 69 5.863 -8.551 9.506 1.00 23.41 H new ATOM 0 HG2 ARG A 69 5.052 -10.421 11.151 1.00 22.22 H new ATOM 0 HG3 ARG A 69 4.880 -11.400 9.709 1.00 22.22 H new ATOM 0 HD2 ARG A 69 7.450 -9.907 10.313 1.00 44.32 H new ATOM 0 HD3 ARG A 69 7.136 -11.495 10.982 1.00 44.32 H new ATOM 0 HE ARG A 69 6.662 -11.653 8.184 1.00 63.22 H new ATOM 0 HH11 ARG A 69 9.308 -11.082 10.450 1.00 1.41 H new ATOM 0 HH12 ARG A 69 10.534 -11.748 9.365 1.00 1.41 H new ATOM 0 HH21 ARG A 69 8.242 -12.508 6.797 1.00 3.41 H new ATOM 0 HH22 ARG A 69 9.933 -12.551 7.306 1.00 3.41 H new ATOM 1102 N ARG A 70 3.461 -6.310 9.988 1.00 52.32 N ATOM 1103 CA ARG A 70 3.567 -5.051 10.715 1.00 12.41 C ATOM 1104 C ARG A 70 5.025 -4.622 10.849 1.00 0.45 C ATOM 1105 O ARG A 70 5.484 -4.278 11.938 1.00 30.41 O ATOM 1106 CB ARG A 70 2.933 -5.183 12.101 1.00 2.22 C ATOM 1107 CG ARG A 70 1.604 -5.920 12.095 1.00 11.24 C ATOM 1108 CD ARG A 70 1.148 -6.257 13.506 1.00 14.23 C ATOM 1109 NE ARG A 70 0.866 -7.681 13.665 1.00 25.11 N ATOM 1110 CZ ARG A 70 1.804 -8.595 13.890 1.00 2.30 C ATOM 1111 NH1 ARG A 70 3.077 -8.234 13.983 1.00 72.44 N ATOM 1112 NH2 ARG A 70 1.469 -9.872 14.023 1.00 5.24 N ATOM 0 H ARG A 70 3.033 -6.230 9.066 1.00 52.32 H new ATOM 0 HA ARG A 70 3.032 -4.288 10.150 1.00 12.41 H new ATOM 0 HB2 ARG A 70 3.626 -5.706 12.760 1.00 2.22 H new ATOM 0 HB3 ARG A 70 2.785 -4.188 12.520 1.00 2.22 H new ATOM 0 HG2 ARG A 70 0.849 -5.306 11.604 1.00 11.24 H new ATOM 0 HG3 ARG A 70 1.698 -6.837 11.513 1.00 11.24 H new ATOM 0 HD2 ARG A 70 1.919 -5.959 14.217 1.00 14.23 H new ATOM 0 HD3 ARG A 70 0.254 -5.682 13.745 1.00 14.23 H new ATOM 0 HE ARG A 70 -0.104 -7.991 13.600 1.00 25.11 H new ATOM 0 HH11 ARG A 70 3.338 -7.253 13.882 1.00 72.44 H new ATOM 0 HH12 ARG A 70 3.795 -8.937 14.156 1.00 72.44 H new ATOM 0 HH21 ARG A 70 0.491 -10.153 13.953 1.00 5.24 H new ATOM 0 HH22 ARG A 70 2.190 -10.573 14.196 1.00 5.24 H new ATOM 1126 N GLY A 71 5.749 -4.644 9.734 1.00 33.52 N ATOM 1127 CA GLY A 71 7.147 -4.257 9.749 1.00 0.31 C ATOM 1128 C GLY A 71 7.331 -2.755 9.837 1.00 2.32 C ATOM 1129 O GLY A 71 8.457 -2.263 9.926 1.00 32.01 O ATOM 0 H GLY A 71 5.392 -4.923 8.820 1.00 33.52 H new ATOM 0 HA2 GLY A 71 7.643 -4.731 10.596 1.00 0.31 H new ATOM 0 HA3 GLY A 71 7.633 -4.627 8.847 1.00 0.31 H new ATOM 1133 N THR A 72 6.222 -2.021 9.811 1.00 25.41 N ATOM 1134 CA THR A 72 6.266 -0.567 9.886 1.00 44.43 C ATOM 1135 C THR A 72 4.964 -0.005 10.446 1.00 65.25 C ATOM 1136 O THR A 72 4.562 1.107 10.107 1.00 40.41 O ATOM 1137 CB THR A 72 6.529 0.059 8.503 1.00 45.20 C ATOM 1138 OG1 THR A 72 5.753 -0.613 7.505 1.00 23.42 O ATOM 1139 CG2 THR A 72 8.006 -0.022 8.144 1.00 14.33 C ATOM 0 H THR A 72 5.282 -2.411 9.738 1.00 25.41 H new ATOM 0 HA THR A 72 7.087 -0.310 10.555 1.00 44.43 H new ATOM 0 HB THR A 72 6.238 1.109 8.543 1.00 45.20 H new ATOM 0 HG1 THR A 72 5.925 -0.208 6.629 1.00 23.42 H new ATOM 0 HG21 THR A 72 8.167 0.426 7.164 1.00 14.33 H new ATOM 0 HG22 THR A 72 8.592 0.516 8.890 1.00 14.33 H new ATOM 0 HG23 THR A 72 8.318 -1.066 8.121 1.00 14.33 H new ATOM 1147 N GLN A 73 4.311 -0.782 11.304 1.00 43.31 N ATOM 1148 CA GLN A 73 3.054 -0.360 11.910 1.00 20.45 C ATOM 1149 C GLN A 73 3.210 0.987 12.607 1.00 5.31 C ATOM 1150 O GLN A 73 3.737 1.067 13.716 1.00 34.34 O ATOM 1151 CB GLN A 73 2.568 -1.411 12.910 1.00 23.32 C ATOM 1152 CG GLN A 73 3.638 -1.855 13.895 1.00 43.04 C ATOM 1153 CD GLN A 73 3.249 -1.594 15.336 1.00 31.54 C ATOM 1154 OE1 GLN A 73 3.748 -0.663 15.968 1.00 42.43 O ATOM 1155 NE2 GLN A 73 2.352 -2.418 15.866 1.00 63.51 N ATOM 0 H GLN A 73 4.631 -1.706 11.595 1.00 43.31 H new ATOM 0 HA GLN A 73 2.315 -0.254 11.116 1.00 20.45 H new ATOM 0 HB2 GLN A 73 1.720 -1.008 13.464 1.00 23.32 H new ATOM 0 HB3 GLN A 73 2.206 -2.281 12.363 1.00 23.32 H new ATOM 0 HG2 GLN A 73 3.830 -2.920 13.762 1.00 43.04 H new ATOM 0 HG3 GLN A 73 4.569 -1.333 13.674 1.00 43.04 H new ATOM 0 HE21 GLN A 73 1.964 -3.177 15.306 1.00 63.51 H new ATOM 0 HE22 GLN A 73 2.052 -2.292 16.833 1.00 63.51 H new ATOM 1164 N GLY A 74 2.750 2.046 11.948 1.00 52.14 N ATOM 1165 CA GLY A 74 2.849 3.376 12.519 1.00 55.51 C ATOM 1166 C GLY A 74 4.112 4.098 12.094 1.00 24.52 C ATOM 1167 O GLY A 74 4.182 5.325 12.150 1.00 25.32 O ATOM 0 H GLY A 74 2.310 2.006 11.028 1.00 52.14 H new ATOM 0 HA2 GLY A 74 1.981 3.962 12.219 1.00 55.51 H new ATOM 0 HA3 GLY A 74 2.824 3.304 13.606 1.00 55.51 H new ATOM 1171 N GLU A 75 5.114 3.333 11.670 1.00 50.10 N ATOM 1172 CA GLU A 75 6.382 3.908 11.237 1.00 61.12 C ATOM 1173 C GLU A 75 6.269 4.472 9.823 1.00 3.04 C ATOM 1174 O GLU A 75 6.921 5.459 9.484 1.00 63.23 O ATOM 1175 CB GLU A 75 7.490 2.854 11.290 1.00 71.30 C ATOM 1176 CG GLU A 75 8.320 2.907 12.561 1.00 4.12 C ATOM 1177 CD GLU A 75 9.502 3.851 12.447 1.00 13.02 C ATOM 1178 OE1 GLU A 75 9.278 5.055 12.204 1.00 3.22 O ATOM 1179 OE2 GLU A 75 10.650 3.385 12.601 1.00 30.44 O ATOM 0 H GLU A 75 5.072 2.315 11.617 1.00 50.10 H new ATOM 0 HA GLU A 75 6.633 4.723 11.916 1.00 61.12 H new ATOM 0 HB2 GLU A 75 7.043 1.864 11.199 1.00 71.30 H new ATOM 0 HB3 GLU A 75 8.148 2.987 10.431 1.00 71.30 H new ATOM 0 HG2 GLU A 75 7.687 3.222 13.391 1.00 4.12 H new ATOM 0 HG3 GLU A 75 8.681 1.906 12.797 1.00 4.12 H new ATOM 1186 N ALA A 76 5.437 3.837 9.004 1.00 3.40 N ATOM 1187 CA ALA A 76 5.237 4.276 7.628 1.00 24.24 C ATOM 1188 C ALA A 76 4.499 5.609 7.579 1.00 43.30 C ATOM 1189 O ALA A 76 4.417 6.245 6.528 1.00 12.21 O ATOM 1190 CB ALA A 76 4.475 3.219 6.843 1.00 31.11 C ATOM 0 H ALA A 76 4.891 3.017 9.269 1.00 3.40 H new ATOM 0 HA ALA A 76 6.217 4.416 7.171 1.00 24.24 H new ATOM 0 HB1 ALA A 76 4.333 3.560 5.817 1.00 31.11 H new ATOM 0 HB2 ALA A 76 5.042 2.288 6.841 1.00 31.11 H new ATOM 0 HB3 ALA A 76 3.503 3.051 7.308 1.00 31.11 H new ATOM 1196 N ARG A 77 3.964 6.026 8.721 1.00 14.54 N ATOM 1197 CA ARG A 77 3.230 7.284 8.807 1.00 25.33 C ATOM 1198 C ARG A 77 4.177 8.474 8.688 1.00 3.43 C ATOM 1199 O ARG A 77 3.760 9.581 8.347 1.00 35.43 O ATOM 1200 CB ARG A 77 2.461 7.361 10.127 1.00 75.40 C ATOM 1201 CG ARG A 77 0.952 7.410 9.950 1.00 53.22 C ATOM 1202 CD ARG A 77 0.464 8.832 9.719 1.00 44.01 C ATOM 1203 NE ARG A 77 -0.932 9.003 10.111 1.00 21.44 N ATOM 1204 CZ ARG A 77 -1.487 10.184 10.358 1.00 21.14 C ATOM 1205 NH1 ARG A 77 -0.768 11.293 10.254 1.00 63.24 N ATOM 1206 NH2 ARG A 77 -2.764 10.258 10.711 1.00 71.33 N ATOM 0 H ARG A 77 4.024 5.512 9.600 1.00 14.54 H new ATOM 0 HA ARG A 77 2.522 7.320 7.979 1.00 25.33 H new ATOM 0 HB2 ARG A 77 2.719 6.497 10.739 1.00 75.40 H new ATOM 0 HB3 ARG A 77 2.783 8.247 10.674 1.00 75.40 H new ATOM 0 HG2 ARG A 77 0.663 6.783 9.106 1.00 53.22 H new ATOM 0 HG3 ARG A 77 0.467 6.997 10.835 1.00 53.22 H new ATOM 0 HD2 ARG A 77 1.087 9.525 10.285 1.00 44.01 H new ATOM 0 HD3 ARG A 77 0.578 9.088 8.666 1.00 44.01 H new ATOM 0 HE ARG A 77 -1.513 8.169 10.200 1.00 21.44 H new ATOM 0 HH11 ARG A 77 0.214 11.241 9.984 1.00 63.24 H new ATOM 0 HH12 ARG A 77 -1.197 12.199 10.444 1.00 63.24 H new ATOM 0 HH21 ARG A 77 -3.321 9.407 10.793 1.00 71.33 H new ATOM 0 HH22 ARG A 77 -3.189 11.166 10.900 1.00 71.33 H new ATOM 1220 N ALA A 78 5.454 8.239 8.972 1.00 1.24 N ATOM 1221 CA ALA A 78 6.460 9.291 8.896 1.00 40.32 C ATOM 1222 C ALA A 78 7.433 9.038 7.749 1.00 22.15 C ATOM 1223 O ALA A 78 7.514 9.824 6.805 1.00 12.25 O ATOM 1224 CB ALA A 78 7.211 9.400 10.214 1.00 25.14 C ATOM 0 H ALA A 78 5.816 7.329 9.257 1.00 1.24 H new ATOM 0 HA ALA A 78 5.949 10.235 8.703 1.00 40.32 H new ATOM 0 HB1 ALA A 78 7.959 10.190 10.142 1.00 25.14 H new ATOM 0 HB2 ALA A 78 6.509 9.636 11.014 1.00 25.14 H new ATOM 0 HB3 ALA A 78 7.704 8.452 10.432 1.00 25.14 H new ATOM 1230 N TYR A 79 8.171 7.937 7.838 1.00 33.34 N ATOM 1231 CA TYR A 79 9.141 7.582 6.810 1.00 62.22 C ATOM 1232 C TYR A 79 8.450 7.319 5.476 1.00 54.15 C ATOM 1233 O TYR A 79 8.823 7.885 4.448 1.00 71.20 O ATOM 1234 CB TYR A 79 9.938 6.348 7.235 1.00 24.43 C ATOM 1235 CG TYR A 79 10.712 5.707 6.105 1.00 75.21 C ATOM 1236 CD1 TYR A 79 11.406 6.483 5.185 1.00 72.33 C ATOM 1237 CD2 TYR A 79 10.747 4.326 5.956 1.00 31.13 C ATOM 1238 CE1 TYR A 79 12.113 5.902 4.150 1.00 60.32 C ATOM 1239 CE2 TYR A 79 11.453 3.736 4.925 1.00 14.34 C ATOM 1240 CZ TYR A 79 12.134 4.528 4.025 1.00 52.32 C ATOM 1241 OH TYR A 79 12.837 3.945 2.996 1.00 72.23 O ATOM 0 H TYR A 79 8.116 7.275 8.612 1.00 33.34 H new ATOM 0 HA TYR A 79 9.824 8.423 6.686 1.00 62.22 H new ATOM 0 HB2 TYR A 79 10.633 6.630 8.026 1.00 24.43 H new ATOM 0 HB3 TYR A 79 9.254 5.612 7.659 1.00 24.43 H new ATOM 0 HD1 TYR A 79 11.393 7.559 5.281 1.00 72.33 H new ATOM 0 HD2 TYR A 79 10.213 3.703 6.658 1.00 31.13 H new ATOM 0 HE1 TYR A 79 12.646 6.520 3.443 1.00 60.32 H new ATOM 0 HE2 TYR A 79 11.471 2.661 4.825 1.00 14.34 H new ATOM 0 HH TYR A 79 12.751 2.970 3.052 1.00 72.23 H new ATOM 1251 N SER A 80 7.438 6.457 5.500 1.00 23.24 N ATOM 1252 CA SER A 80 6.695 6.115 4.293 1.00 10.52 C ATOM 1253 C SER A 80 7.612 5.480 3.252 1.00 34.13 C ATOM 1254 O SER A 80 7.788 4.262 3.226 1.00 42.32 O ATOM 1255 CB SER A 80 6.029 7.363 3.709 1.00 31.21 C ATOM 1256 OG SER A 80 4.949 7.791 4.520 1.00 12.42 O ATOM 0 H SER A 80 7.114 5.983 6.343 1.00 23.24 H new ATOM 0 HA SER A 80 5.925 5.392 4.562 1.00 10.52 H new ATOM 0 HB2 SER A 80 6.763 8.164 3.623 1.00 31.21 H new ATOM 0 HB3 SER A 80 5.670 7.150 2.702 1.00 31.21 H new ATOM 0 HG SER A 80 4.954 7.290 5.362 1.00 12.42 H new ATOM 1262 N MET A 81 8.192 6.314 2.396 1.00 2.21 N ATOM 1263 CA MET A 81 9.092 5.835 1.353 1.00 31.23 C ATOM 1264 C MET A 81 10.415 6.593 1.386 1.00 23.44 C ATOM 1265 O MET A 81 10.620 7.469 2.227 1.00 61.32 O ATOM 1266 CB MET A 81 8.439 5.985 -0.022 1.00 70.01 C ATOM 1267 CG MET A 81 7.833 4.695 -0.551 1.00 44.14 C ATOM 1268 SD MET A 81 6.486 4.086 0.480 1.00 30.22 S ATOM 1269 CE MET A 81 5.287 5.402 0.283 1.00 21.23 C ATOM 0 H MET A 81 8.055 7.325 2.404 1.00 2.21 H new ATOM 0 HA MET A 81 9.294 4.780 1.538 1.00 31.23 H new ATOM 0 HB2 MET A 81 7.660 6.746 0.036 1.00 70.01 H new ATOM 0 HB3 MET A 81 9.184 6.345 -0.732 1.00 70.01 H new ATOM 0 HG2 MET A 81 7.464 4.860 -1.563 1.00 44.14 H new ATOM 0 HG3 MET A 81 8.610 3.933 -0.615 1.00 44.14 H new ATOM 0 HE1 MET A 81 4.301 4.972 0.108 1.00 21.23 H new ATOM 0 HE2 MET A 81 5.263 6.010 1.187 1.00 21.23 H new ATOM 0 HE3 MET A 81 5.567 6.025 -0.566 1.00 21.23 H new ATOM 1279 N LYS A 82 11.311 6.250 0.467 1.00 23.21 N ATOM 1280 CA LYS A 82 12.615 6.898 0.390 1.00 61.12 C ATOM 1281 C LYS A 82 12.583 8.070 -0.586 1.00 0.23 C ATOM 1282 O LYS A 82 12.329 7.891 -1.776 1.00 40.13 O ATOM 1283 CB LYS A 82 13.683 5.891 -0.042 1.00 25.33 C ATOM 1284 CG LYS A 82 14.603 5.459 1.087 1.00 25.20 C ATOM 1285 CD LYS A 82 16.041 5.877 0.826 1.00 72.32 C ATOM 1286 CE LYS A 82 16.800 4.809 0.052 1.00 13.51 C ATOM 1287 NZ LYS A 82 18.134 4.532 0.653 1.00 52.23 N ATOM 0 H LYS A 82 11.158 5.526 -0.235 1.00 23.21 H new ATOM 0 HA LYS A 82 12.863 7.279 1.381 1.00 61.12 H new ATOM 0 HB2 LYS A 82 13.193 5.010 -0.458 1.00 25.33 H new ATOM 0 HB3 LYS A 82 14.282 6.329 -0.840 1.00 25.33 H new ATOM 0 HG2 LYS A 82 14.260 5.897 2.024 1.00 25.20 H new ATOM 0 HG3 LYS A 82 14.553 4.376 1.204 1.00 25.20 H new ATOM 0 HD2 LYS A 82 16.053 6.812 0.266 1.00 72.32 H new ATOM 0 HD3 LYS A 82 16.544 6.067 1.774 1.00 72.32 H new ATOM 0 HE2 LYS A 82 16.214 3.890 0.030 1.00 13.51 H new ATOM 0 HE3 LYS A 82 16.927 5.131 -0.982 1.00 13.51 H new ATOM 0 HZ1 LYS A 82 18.620 3.799 0.097 1.00 52.23 H new ATOM 0 HZ2 LYS A 82 18.703 5.402 0.651 1.00 52.23 H new ATOM 0 HZ3 LYS A 82 18.012 4.201 1.631 1.00 52.23 H new ATOM 1301 N GLU A 83 12.844 9.269 -0.073 1.00 34.44 N ATOM 1302 CA GLU A 83 12.845 10.469 -0.900 1.00 51.22 C ATOM 1303 C GLU A 83 13.951 10.406 -1.949 1.00 61.44 C ATOM 1304 O GLU A 83 13.789 10.894 -3.068 1.00 22.21 O ATOM 1305 CB GLU A 83 13.023 11.715 -0.030 1.00 2.10 C ATOM 1306 CG GLU A 83 11.713 12.311 0.456 1.00 34.53 C ATOM 1307 CD GLU A 83 11.325 11.819 1.838 1.00 45.14 C ATOM 1308 OE1 GLU A 83 11.539 10.622 2.122 1.00 22.11 O ATOM 1309 OE2 GLU A 83 10.809 12.631 2.634 1.00 71.25 O ATOM 0 H GLU A 83 13.057 9.434 0.911 1.00 34.44 H new ATOM 0 HA GLU A 83 11.885 10.527 -1.412 1.00 51.22 H new ATOM 0 HB2 GLU A 83 13.639 11.460 0.833 1.00 2.10 H new ATOM 0 HB3 GLU A 83 13.567 12.470 -0.598 1.00 2.10 H new ATOM 0 HG2 GLU A 83 11.796 13.398 0.471 1.00 34.53 H new ATOM 0 HG3 GLU A 83 10.921 12.062 -0.250 1.00 34.53 H new ATOM 1316 N ASP A 84 15.075 9.801 -1.580 1.00 12.44 N ATOM 1317 CA ASP A 84 16.209 9.673 -2.488 1.00 35.02 C ATOM 1318 C ASP A 84 15.804 8.936 -3.761 1.00 41.40 C ATOM 1319 O ASP A 84 16.277 9.254 -4.853 1.00 2.33 O ATOM 1320 CB ASP A 84 17.359 8.936 -1.801 1.00 31.53 C ATOM 1321 CG ASP A 84 18.713 9.516 -2.157 1.00 24.13 C ATOM 1322 OD1 ASP A 84 19.056 10.592 -1.624 1.00 54.35 O ATOM 1323 OD2 ASP A 84 19.431 8.894 -2.968 1.00 40.23 O ATOM 0 H ASP A 84 15.225 9.391 -0.658 1.00 12.44 H new ATOM 0 HA ASP A 84 16.541 10.675 -2.759 1.00 35.02 H new ATOM 0 HB2 ASP A 84 17.221 8.980 -0.721 1.00 31.53 H new ATOM 0 HB3 ASP A 84 17.332 7.884 -2.083 1.00 31.53 H new ATOM 1328 N THR A 85 14.926 7.949 -3.614 1.00 22.20 N ATOM 1329 CA THR A 85 14.460 7.165 -4.751 1.00 14.41 C ATOM 1330 C THR A 85 13.010 7.494 -5.087 1.00 53.23 C ATOM 1331 O THR A 85 12.389 6.830 -5.917 1.00 62.25 O ATOM 1332 CB THR A 85 14.582 5.654 -4.480 1.00 13.05 C ATOM 1333 OG1 THR A 85 14.348 5.385 -3.093 1.00 25.24 O ATOM 1334 CG2 THR A 85 15.958 5.143 -4.876 1.00 64.51 C ATOM 0 H THR A 85 14.523 7.673 -2.718 1.00 22.20 H new ATOM 0 HA THR A 85 15.095 7.427 -5.597 1.00 14.41 H new ATOM 0 HB THR A 85 13.834 5.137 -5.081 1.00 13.05 H new ATOM 0 HG1 THR A 85 14.426 4.422 -2.929 1.00 25.24 H new ATOM 0 HG21 THR A 85 16.021 4.073 -4.675 1.00 64.51 H new ATOM 0 HG22 THR A 85 16.121 5.323 -5.939 1.00 64.51 H new ATOM 0 HG23 THR A 85 16.720 5.666 -4.298 1.00 64.51 H new ATOM 1342 N ARG A 86 12.475 8.523 -4.438 1.00 43.53 N ATOM 1343 CA ARG A 86 11.097 8.940 -4.669 1.00 23.11 C ATOM 1344 C ARG A 86 10.955 9.620 -6.027 1.00 70.04 C ATOM 1345 O ARG A 86 11.604 10.631 -6.298 1.00 53.45 O ATOM 1346 CB ARG A 86 10.637 9.889 -3.561 1.00 35.31 C ATOM 1347 CG ARG A 86 9.173 10.284 -3.667 1.00 52.34 C ATOM 1348 CD ARG A 86 8.573 10.573 -2.300 1.00 51.02 C ATOM 1349 NE ARG A 86 7.730 11.765 -2.313 1.00 54.32 N ATOM 1350 CZ ARG A 86 8.208 13.004 -2.292 1.00 1.33 C ATOM 1351 NH1 ARG A 86 9.517 13.212 -2.257 1.00 1.33 N ATOM 1352 NH2 ARG A 86 7.377 14.038 -2.306 1.00 13.34 N ATOM 0 H ARG A 86 12.975 9.083 -3.748 1.00 43.53 H new ATOM 0 HA ARG A 86 10.468 8.050 -4.660 1.00 23.11 H new ATOM 0 HB2 ARG A 86 10.808 9.415 -2.594 1.00 35.31 H new ATOM 0 HB3 ARG A 86 11.251 10.790 -3.588 1.00 35.31 H new ATOM 0 HG2 ARG A 86 9.078 11.166 -4.301 1.00 52.34 H new ATOM 0 HG3 ARG A 86 8.613 9.483 -4.149 1.00 52.34 H new ATOM 0 HD2 ARG A 86 7.984 9.716 -1.974 1.00 51.02 H new ATOM 0 HD3 ARG A 86 9.374 10.704 -1.573 1.00 51.02 H new ATOM 0 HE ARG A 86 6.718 11.639 -2.340 1.00 54.32 H new ATOM 0 HH11 ARG A 86 10.159 12.420 -2.246 1.00 1.33 H new ATOM 0 HH12 ARG A 86 9.882 14.164 -2.241 1.00 1.33 H new ATOM 0 HH21 ARG A 86 6.369 13.882 -2.333 1.00 13.34 H new ATOM 0 HH22 ARG A 86 7.746 14.989 -2.290 1.00 13.34 H new ATOM 1366 N LEU A 87 10.103 9.058 -6.878 1.00 1.21 N ATOM 1367 CA LEU A 87 9.876 9.610 -8.209 1.00 74.43 C ATOM 1368 C LEU A 87 8.602 10.449 -8.241 1.00 20.51 C ATOM 1369 O LEU A 87 8.620 11.605 -8.660 1.00 42.22 O ATOM 1370 CB LEU A 87 9.784 8.483 -9.240 1.00 52.44 C ATOM 1371 CG LEU A 87 10.941 8.388 -10.235 1.00 3.10 C ATOM 1372 CD1 LEU A 87 10.699 7.263 -11.230 1.00 2.35 C ATOM 1373 CD2 LEU A 87 11.132 9.712 -10.960 1.00 54.23 C ATOM 0 H LEU A 87 9.558 8.221 -6.670 1.00 1.21 H new ATOM 0 HA LEU A 87 10.719 10.254 -8.457 1.00 74.43 H new ATOM 0 HB2 LEU A 87 9.711 7.535 -8.707 1.00 52.44 H new ATOM 0 HB3 LEU A 87 8.858 8.606 -9.801 1.00 52.44 H new ATOM 0 HG LEU A 87 11.853 8.165 -9.681 1.00 3.10 H new ATOM 0 HD11 LEU A 87 11.533 7.211 -11.930 1.00 2.35 H new ATOM 0 HD12 LEU A 87 10.614 6.317 -10.696 1.00 2.35 H new ATOM 0 HD13 LEU A 87 9.777 7.454 -11.778 1.00 2.35 H new ATOM 0 HD21 LEU A 87 11.960 9.625 -11.664 1.00 54.23 H new ATOM 0 HD22 LEU A 87 10.220 9.965 -11.501 1.00 54.23 H new ATOM 0 HD23 LEU A 87 11.353 10.495 -10.235 1.00 54.23 H new ATOM 1385 N GLU A 88 7.499 9.857 -7.793 1.00 12.53 N ATOM 1386 CA GLU A 88 6.217 10.552 -7.769 1.00 31.13 C ATOM 1387 C GLU A 88 5.552 10.419 -6.402 1.00 34.12 C ATOM 1388 O GLU A 88 6.044 9.710 -5.526 1.00 25.42 O ATOM 1389 CB GLU A 88 5.291 9.999 -8.854 1.00 65.35 C ATOM 1390 CG GLU A 88 4.606 11.077 -9.677 1.00 71.41 C ATOM 1391 CD GLU A 88 5.584 11.894 -10.499 1.00 12.15 C ATOM 1392 OE1 GLU A 88 6.240 11.315 -11.389 1.00 44.40 O ATOM 1393 OE2 GLU A 88 5.692 13.113 -10.250 1.00 52.44 O ATOM 0 H GLU A 88 7.467 8.900 -7.442 1.00 12.53 H new ATOM 0 HA GLU A 88 6.402 11.608 -7.963 1.00 31.13 H new ATOM 0 HB2 GLU A 88 5.868 9.357 -9.520 1.00 65.35 H new ATOM 0 HB3 GLU A 88 4.531 9.373 -8.387 1.00 65.35 H new ATOM 0 HG2 GLU A 88 3.877 10.613 -10.342 1.00 71.41 H new ATOM 0 HG3 GLU A 88 4.053 11.740 -9.012 1.00 71.41 H new ATOM 1400 N GLY A 89 4.428 11.108 -6.227 1.00 72.14 N ATOM 1401 CA GLY A 89 3.713 11.054 -4.965 1.00 41.44 C ATOM 1402 C GLY A 89 4.139 12.152 -4.011 1.00 23.02 C ATOM 1403 O GLY A 89 4.850 13.086 -4.383 1.00 15.44 O ATOM 0 H GLY A 89 4.000 11.703 -6.937 1.00 72.14 H new ATOM 0 HA2 GLY A 89 2.643 11.136 -5.153 1.00 41.44 H new ATOM 0 HA3 GLY A 89 3.881 10.084 -4.497 1.00 41.44 H new ATOM 1407 N PRO A 90 3.699 12.047 -2.748 1.00 44.10 N ATOM 1408 CA PRO A 90 2.853 10.940 -2.294 1.00 73.22 C ATOM 1409 C PRO A 90 1.447 11.006 -2.882 1.00 23.00 C ATOM 1410 O PRO A 90 1.063 12.009 -3.484 1.00 70.41 O ATOM 1411 CB PRO A 90 2.807 11.128 -0.776 1.00 33.23 C ATOM 1412 CG PRO A 90 3.059 12.581 -0.566 1.00 63.11 C ATOM 1413 CD PRO A 90 3.994 13.002 -1.666 1.00 61.42 C ATOM 0 HA PRO A 90 3.246 9.972 -2.606 1.00 73.22 H new ATOM 0 HB2 PRO A 90 1.840 10.831 -0.370 1.00 33.23 H new ATOM 0 HB3 PRO A 90 3.562 10.519 -0.279 1.00 33.23 H new ATOM 0 HG2 PRO A 90 2.129 13.148 -0.606 1.00 63.11 H new ATOM 0 HG3 PRO A 90 3.502 12.763 0.413 1.00 63.11 H new ATOM 0 HD2 PRO A 90 3.811 14.031 -1.977 1.00 61.42 H new ATOM 0 HD3 PRO A 90 5.036 12.944 -1.352 1.00 61.42 H new ATOM 1421 N TRP A 91 0.685 9.933 -2.703 1.00 43.11 N ATOM 1422 CA TRP A 91 -0.679 9.870 -3.216 1.00 44.41 C ATOM 1423 C TRP A 91 -1.607 9.196 -2.212 1.00 52.13 C ATOM 1424 O TRP A 91 -1.350 8.077 -1.771 1.00 71.42 O ATOM 1425 CB TRP A 91 -0.711 9.116 -4.546 1.00 61.12 C ATOM 1426 CG TRP A 91 -0.168 9.912 -5.694 1.00 54.32 C ATOM 1427 CD1 TRP A 91 -0.306 11.256 -5.897 1.00 71.32 C ATOM 1428 CD2 TRP A 91 0.596 9.414 -6.797 1.00 70.14 C ATOM 1429 NE1 TRP A 91 0.327 11.623 -7.060 1.00 72.44 N ATOM 1430 CE2 TRP A 91 0.889 10.511 -7.631 1.00 13.31 C ATOM 1431 CE3 TRP A 91 1.063 8.148 -7.161 1.00 45.44 C ATOM 1432 CZ2 TRP A 91 1.626 10.378 -8.804 1.00 51.45 C ATOM 1433 CZ3 TRP A 91 1.795 8.018 -8.327 1.00 12.14 C ATOM 1434 CH2 TRP A 91 2.071 9.128 -9.137 1.00 30.34 C ATOM 0 H TRP A 91 0.988 9.095 -2.207 1.00 43.11 H new ATOM 0 HA TRP A 91 -1.028 10.890 -3.377 1.00 44.41 H new ATOM 0 HB2 TRP A 91 -0.136 8.195 -4.447 1.00 61.12 H new ATOM 0 HB3 TRP A 91 -1.739 8.828 -4.767 1.00 61.12 H new ATOM 0 HD1 TRP A 91 -0.835 11.931 -5.240 1.00 71.32 H new ATOM 0 HE1 TRP A 91 0.371 12.570 -7.437 1.00 72.44 H new ATOM 0 HE3 TRP A 91 0.856 7.287 -6.543 1.00 45.44 H new ATOM 0 HZ2 TRP A 91 1.839 11.232 -9.430 1.00 51.45 H new ATOM 0 HZ3 TRP A 91 2.160 7.044 -8.619 1.00 12.14 H new ATOM 0 HH2 TRP A 91 2.646 8.994 -10.041 1.00 30.34 H new ATOM 1445 N GLU A 92 -2.687 9.885 -1.856 1.00 71.21 N ATOM 1446 CA GLU A 92 -3.653 9.351 -0.903 1.00 70.42 C ATOM 1447 C GLU A 92 -5.026 9.194 -1.551 1.00 30.45 C ATOM 1448 O GLU A 92 -5.476 10.063 -2.297 1.00 44.50 O ATOM 1449 CB GLU A 92 -3.755 10.264 0.320 1.00 52.42 C ATOM 1450 CG GLU A 92 -2.453 10.397 1.091 1.00 44.22 C ATOM 1451 CD GLU A 92 -1.922 11.818 1.099 1.00 64.53 C ATOM 1452 OE1 GLU A 92 -2.460 12.648 1.860 1.00 45.52 O ATOM 1453 OE2 GLU A 92 -0.967 12.098 0.343 1.00 34.42 O ATOM 0 H GLU A 92 -2.915 10.813 -2.213 1.00 71.21 H new ATOM 0 HA GLU A 92 -3.306 8.368 -0.585 1.00 70.42 H new ATOM 0 HB2 GLU A 92 -4.079 11.254 -0.002 1.00 52.42 H new ATOM 0 HB3 GLU A 92 -4.525 9.878 0.988 1.00 52.42 H new ATOM 0 HG2 GLU A 92 -2.608 10.065 2.118 1.00 44.22 H new ATOM 0 HG3 GLU A 92 -1.706 9.736 0.651 1.00 44.22 H new ATOM 1460 N TYR A 93 -5.686 8.078 -1.259 1.00 54.55 N ATOM 1461 CA TYR A 93 -7.007 7.805 -1.815 1.00 24.02 C ATOM 1462 C TYR A 93 -7.948 7.265 -0.742 1.00 42.52 C ATOM 1463 O TYR A 93 -7.508 6.789 0.303 1.00 20.13 O ATOM 1464 CB TYR A 93 -6.901 6.804 -2.967 1.00 0.13 C ATOM 1465 CG TYR A 93 -6.154 7.339 -4.167 1.00 42.33 C ATOM 1466 CD1 TYR A 93 -6.820 8.025 -5.176 1.00 32.32 C ATOM 1467 CD2 TYR A 93 -4.782 7.159 -4.294 1.00 31.20 C ATOM 1468 CE1 TYR A 93 -6.142 8.515 -6.275 1.00 21.10 C ATOM 1469 CE2 TYR A 93 -4.095 7.647 -5.389 1.00 35.22 C ATOM 1470 CZ TYR A 93 -4.780 8.324 -6.377 1.00 23.13 C ATOM 1471 OH TYR A 93 -4.100 8.810 -7.470 1.00 4.34 O ATOM 0 H TYR A 93 -5.329 7.349 -0.642 1.00 54.55 H new ATOM 0 HA TYR A 93 -7.416 8.742 -2.193 1.00 24.02 H new ATOM 0 HB2 TYR A 93 -6.401 5.904 -2.610 1.00 0.13 H new ATOM 0 HB3 TYR A 93 -7.904 6.510 -3.275 1.00 0.13 H new ATOM 0 HD1 TYR A 93 -7.886 8.178 -5.099 1.00 32.32 H new ATOM 0 HD2 TYR A 93 -4.243 6.628 -3.523 1.00 31.20 H new ATOM 0 HE1 TYR A 93 -6.676 9.045 -7.050 1.00 21.10 H new ATOM 0 HE2 TYR A 93 -3.028 7.499 -5.471 1.00 35.22 H new ATOM 0 HH TYR A 93 -3.148 8.592 -7.387 1.00 4.34 H new ATOM 1481 N GLY A 94 -9.248 7.344 -1.011 1.00 3.14 N ATOM 1482 CA GLY A 94 -10.232 6.860 -0.060 1.00 50.04 C ATOM 1483 C GLY A 94 -10.428 7.809 1.105 1.00 15.11 C ATOM 1484 O GLY A 94 -10.253 9.019 0.964 1.00 24.34 O ATOM 0 H GLY A 94 -9.637 7.734 -1.870 1.00 3.14 H new ATOM 0 HA2 GLY A 94 -11.184 6.714 -0.570 1.00 50.04 H new ATOM 0 HA3 GLY A 94 -9.920 5.886 0.317 1.00 50.04 H new ATOM 1488 N GLU A 95 -10.796 7.259 2.258 1.00 2.55 N ATOM 1489 CA GLU A 95 -11.019 8.067 3.452 1.00 42.11 C ATOM 1490 C GLU A 95 -11.975 9.219 3.158 1.00 12.42 C ATOM 1491 O GLU A 95 -13.169 9.009 2.945 1.00 43.00 O ATOM 1492 CB GLU A 95 -9.691 8.614 3.980 1.00 20.01 C ATOM 1493 CG GLU A 95 -9.843 9.506 5.201 1.00 65.11 C ATOM 1494 CD GLU A 95 -8.522 10.092 5.663 1.00 74.31 C ATOM 1495 OE1 GLU A 95 -7.726 10.515 4.800 1.00 40.15 O ATOM 1496 OE2 GLU A 95 -8.286 10.127 6.889 1.00 73.32 O ATOM 0 H GLU A 95 -10.946 6.259 2.391 1.00 2.55 H new ATOM 0 HA GLU A 95 -11.469 7.429 4.213 1.00 42.11 H new ATOM 0 HB2 GLU A 95 -9.037 7.778 4.230 1.00 20.01 H new ATOM 0 HB3 GLU A 95 -9.199 9.178 3.187 1.00 20.01 H new ATOM 0 HG2 GLU A 95 -10.535 10.316 4.971 1.00 65.11 H new ATOM 0 HG3 GLU A 95 -10.285 8.930 6.014 1.00 65.11 H new