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 :FLIP amide:sc= -4.09! F(o=-8.9,f=-8.3!) USER MOD Set 1.2: A 81 MET CE :methyl -151:sc= -4.23 (180deg=-9.5!) USER MOD Set 2.1: A 7 CYS SG : rot -78:sc= -0.162 USER MOD Set 2.2: A 73 GLN : amide:sc= 0.163 K(o=0.00054,f=-8!) USER MOD Set 3.1: A 45 TYR OH : rot -169:sc= 0.0393 USER MOD Set 3.2: A 80 SER OG : rot -3:sc= 0.0611 USER MOD Set 4.1: A 22 HIS : no HD1:sc= -8.15! C(o=-19!,f=-22!) USER MOD Set 4.2: A 24 SER OG : rot -170:sc= -0.473 USER MOD Set 4.3: A 25 MET CE :methyl -156:sc= -4.21! (180deg=-5.76!) USER MOD Set 4.4: A 48 MET CE :methyl 133:sc= -3.02 (180deg=-1.2) USER MOD Set 4.5: A 57 MET CE :methyl 140:sc= -3.57 (180deg=-5.92!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 17 SER OG : rot 56:sc= 0.783 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 180:sc= -1.65 USER MOD Single : A 30 TYR OH : rot 103:sc= 0.145 USER MOD Single : A 32 THR OG1 : rot -43:sc= 0.749 USER MOD Single : A 34 GLN : amide:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.49) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -2.16 F(o=-3.5,f=-2.2) USER MOD Single : A 43 GLN : amide:sc= -4.74! C(o=-4.7!,f=-10!) 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 -170:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= -0.231 (180deg=-2.04) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00401 X(o=-0.004,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -110:sc= -0.0404 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -70:sc= -1.33 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -12.117 -0.043 17.067 1.00 1.02 N ATOM 12 CA ARG A 3 -10.802 -0.673 17.053 1.00 11.35 C ATOM 13 C ARG A 3 -9.997 -0.225 15.837 1.00 53.31 C ATOM 14 O ARG A 3 -10.564 0.171 14.818 1.00 24.15 O ATOM 15 CB ARG A 3 -10.943 -2.196 17.053 1.00 63.04 C ATOM 16 CG ARG A 3 -10.839 -2.818 18.436 1.00 72.04 C ATOM 17 CD ARG A 3 -9.857 -3.979 18.452 1.00 34.21 C ATOM 18 NE ARG A 3 -10.511 -5.253 18.165 1.00 35.13 N ATOM 19 CZ ARG A 3 -9.933 -6.434 18.350 1.00 23.41 C ATOM 20 NH1 ARG A 3 -8.695 -6.503 18.819 1.00 24.54 N ATOM 21 NH2 ARG A 3 -10.593 -7.550 18.066 1.00 42.32 N ATOM 0 HA ARG A 3 -10.269 -0.365 17.953 1.00 11.35 H new ATOM 0 HB2 ARG A 3 -11.905 -2.463 16.615 1.00 63.04 H new ATOM 0 HB3 ARG A 3 -10.172 -2.624 16.413 1.00 63.04 H new ATOM 0 HG2 ARG A 3 -10.521 -2.061 19.153 1.00 72.04 H new ATOM 0 HG3 ARG A 3 -11.822 -3.167 18.754 1.00 72.04 H new ATOM 0 HD2 ARG A 3 -9.073 -3.800 17.717 1.00 34.21 H new ATOM 0 HD3 ARG A 3 -9.373 -4.031 19.427 1.00 34.21 H new ATOM 0 HE ARG A 3 -11.464 -5.234 17.802 1.00 35.13 H new ATOM 0 HH11 ARG A 3 -8.184 -5.648 19.039 1.00 24.54 H new ATOM 0 HH12 ARG A 3 -8.253 -7.411 18.960 1.00 24.54 H new ATOM 0 HH21 ARG A 3 -11.546 -7.501 17.705 1.00 42.32 H new ATOM 0 HH22 ARG A 3 -10.147 -8.456 18.209 1.00 42.32 H new ATOM 35 N GLN A 4 -8.675 -0.290 15.952 1.00 42.20 N ATOM 36 CA GLN A 4 -7.793 0.110 14.862 1.00 51.32 C ATOM 37 C GLN A 4 -7.192 -1.110 14.172 1.00 52.12 C ATOM 38 O GLN A 4 -7.082 -2.182 14.768 1.00 51.53 O ATOM 39 CB GLN A 4 -6.677 1.015 15.386 1.00 11.44 C ATOM 40 CG GLN A 4 -6.855 2.479 15.014 1.00 62.51 C ATOM 41 CD GLN A 4 -5.781 3.367 15.610 1.00 43.01 C ATOM 42 OE1 GLN A 4 -5.688 3.516 16.829 1.00 40.13 O ATOM 43 NE2 GLN A 4 -4.962 3.963 14.752 1.00 45.14 N ATOM 0 H GLN A 4 -8.191 -0.616 16.789 1.00 42.20 H new ATOM 0 HA GLN A 4 -8.386 0.662 14.133 1.00 51.32 H new ATOM 0 HB2 GLN A 4 -6.629 0.928 16.471 1.00 11.44 H new ATOM 0 HB3 GLN A 4 -5.722 0.663 14.996 1.00 11.44 H new ATOM 0 HG2 GLN A 4 -6.842 2.578 13.929 1.00 62.51 H new ATOM 0 HG3 GLN A 4 -7.833 2.820 15.354 1.00 62.51 H new ATOM 0 HE21 GLN A 4 -5.075 3.811 13.750 1.00 45.14 H new ATOM 0 HE22 GLN A 4 -4.220 4.573 15.095 1.00 45.14 H new ATOM 52 N VAL A 5 -6.805 -0.940 12.912 1.00 71.25 N ATOM 53 CA VAL A 5 -6.215 -2.028 12.140 1.00 4.52 C ATOM 54 C VAL A 5 -4.824 -1.654 11.639 1.00 20.05 C ATOM 55 O VAL A 5 -4.479 -0.475 11.557 1.00 51.22 O ATOM 56 CB VAL A 5 -7.098 -2.405 10.936 1.00 65.31 C ATOM 57 CG1 VAL A 5 -8.475 -2.850 11.402 1.00 14.34 C ATOM 58 CG2 VAL A 5 -7.205 -1.237 9.967 1.00 25.41 C ATOM 0 H VAL A 5 -6.889 -0.060 12.404 1.00 71.25 H new ATOM 0 HA VAL A 5 -6.139 -2.886 12.808 1.00 4.52 H new ATOM 0 HB VAL A 5 -6.631 -3.239 10.413 1.00 65.31 H new ATOM 0 HG11 VAL A 5 -9.085 -3.112 10.537 1.00 14.34 H new ATOM 0 HG12 VAL A 5 -8.376 -3.719 12.053 1.00 14.34 H new ATOM 0 HG13 VAL A 5 -8.953 -2.039 11.950 1.00 14.34 H new ATOM 0 HG21 VAL A 5 -7.833 -1.521 9.122 1.00 25.41 H new ATOM 0 HG22 VAL A 5 -7.648 -0.381 10.476 1.00 25.41 H new ATOM 0 HG23 VAL A 5 -6.211 -0.971 9.607 1.00 25.41 H new ATOM 68 N ILE A 6 -4.030 -2.666 11.306 1.00 3.33 N ATOM 69 CA ILE A 6 -2.677 -2.443 10.812 1.00 63.32 C ATOM 70 C ILE A 6 -2.673 -2.218 9.304 1.00 63.45 C ATOM 71 O ILE A 6 -3.479 -2.800 8.577 1.00 60.33 O ATOM 72 CB ILE A 6 -1.753 -3.630 11.145 1.00 53.00 C ATOM 73 CG1 ILE A 6 -1.640 -3.806 12.661 1.00 61.24 C ATOM 74 CG2 ILE A 6 -0.379 -3.422 10.526 1.00 11.22 C ATOM 75 CD1 ILE A 6 -2.602 -4.829 13.224 1.00 42.13 C ATOM 0 H ILE A 6 -4.300 -3.648 11.369 1.00 3.33 H new ATOM 0 HA ILE A 6 -2.302 -1.550 11.312 1.00 63.32 H new ATOM 0 HB ILE A 6 -2.185 -4.538 10.724 1.00 53.00 H new ATOM 0 HG12 ILE A 6 -0.621 -4.102 12.909 1.00 61.24 H new ATOM 0 HG13 ILE A 6 -1.819 -2.846 13.145 1.00 61.24 H new ATOM 0 HG21 ILE A 6 0.262 -4.269 10.770 1.00 11.22 H new ATOM 0 HG22 ILE A 6 -0.476 -3.341 9.443 1.00 11.22 H new ATOM 0 HG23 ILE A 6 0.063 -2.507 10.920 1.00 11.22 H new ATOM 0 HD11 ILE A 6 -2.466 -4.901 14.303 1.00 42.13 H new ATOM 0 HD12 ILE A 6 -3.626 -4.524 13.007 1.00 42.13 H new ATOM 0 HD13 ILE A 6 -2.408 -5.800 12.768 1.00 42.13 H new ATOM 87 N CYS A 7 -1.759 -1.373 8.840 1.00 55.34 N ATOM 88 CA CYS A 7 -1.649 -1.071 7.417 1.00 72.43 C ATOM 89 C CYS A 7 -0.935 -2.197 6.676 1.00 32.52 C ATOM 90 O CYS A 7 -0.160 -2.949 7.268 1.00 52.01 O ATOM 91 CB CYS A 7 -0.901 0.246 7.210 1.00 40.33 C ATOM 92 SG CYS A 7 0.891 0.117 7.411 1.00 63.24 S ATOM 0 H CYS A 7 -1.084 -0.885 9.428 1.00 55.34 H new ATOM 0 HA CYS A 7 -2.657 -0.975 7.012 1.00 72.43 H new ATOM 0 HB2 CYS A 7 -1.117 0.621 6.210 1.00 40.33 H new ATOM 0 HB3 CYS A 7 -1.283 0.983 7.916 1.00 40.33 H new ATOM 0 HG CYS A 7 1.184 0.084 8.677 1.00 63.24 H new ATOM 98 N TRP A 8 -1.203 -2.309 5.380 1.00 1.23 N ATOM 99 CA TRP A 8 -0.587 -3.345 4.559 1.00 0.00 C ATOM 100 C TRP A 8 0.469 -2.750 3.634 1.00 72.33 C ATOM 101 O TRP A 8 0.145 -2.019 2.697 1.00 63.54 O ATOM 102 CB TRP A 8 -1.652 -4.073 3.737 1.00 63.10 C ATOM 103 CG TRP A 8 -2.625 -4.845 4.576 1.00 64.33 C ATOM 104 CD1 TRP A 8 -3.517 -4.335 5.475 1.00 61.20 C ATOM 105 CD2 TRP A 8 -2.801 -6.266 4.594 1.00 31.02 C ATOM 106 NE1 TRP A 8 -4.238 -5.353 6.051 1.00 25.34 N ATOM 107 CE2 TRP A 8 -3.818 -6.547 5.527 1.00 31.34 C ATOM 108 CE3 TRP A 8 -2.201 -7.328 3.912 1.00 42.51 C ATOM 109 CZ2 TRP A 8 -4.245 -7.846 5.794 1.00 4.44 C ATOM 110 CZ3 TRP A 8 -2.625 -8.615 4.178 1.00 30.42 C ATOM 111 CH2 TRP A 8 -3.639 -8.866 5.112 1.00 13.30 C ATOM 0 H TRP A 8 -1.843 -1.695 4.875 1.00 1.23 H new ATOM 0 HA TRP A 8 -0.100 -4.059 5.223 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.198 -3.345 3.137 1.00 63.10 H new ATOM 0 HB3 TRP A 8 -1.161 -4.755 3.042 1.00 63.10 H new ATOM 0 HD1 TRP A 8 -3.638 -3.286 5.700 1.00 61.20 H new ATOM 0 HE1 TRP A 8 -4.968 -5.238 6.755 1.00 25.34 H new ATOM 0 HE3 TRP A 8 -1.419 -7.145 3.189 1.00 42.51 H new ATOM 0 HZ2 TRP A 8 -5.026 -8.041 6.514 1.00 4.44 H new ATOM 0 HZ3 TRP A 8 -2.167 -9.443 3.657 1.00 30.42 H new ATOM 0 HH2 TRP A 8 -3.948 -9.884 5.297 1.00 13.30 H new ATOM 122 N CYS A 9 1.730 -3.068 3.902 1.00 45.42 N ATOM 123 CA CYS A 9 2.834 -2.563 3.092 1.00 22.34 C ATOM 124 C CYS A 9 3.193 -3.551 1.987 1.00 41.33 C ATOM 125 O CYS A 9 3.615 -4.675 2.257 1.00 24.11 O ATOM 126 CB CYS A 9 4.057 -2.296 3.971 1.00 44.23 C ATOM 127 SG CYS A 9 5.574 -1.966 3.043 1.00 1.13 S ATOM 0 H CYS A 9 2.014 -3.672 4.673 1.00 45.42 H new ATOM 0 HA CYS A 9 2.516 -1.628 2.630 1.00 22.34 H new ATOM 0 HB2 CYS A 9 3.847 -1.445 4.618 1.00 44.23 H new ATOM 0 HB3 CYS A 9 4.220 -3.157 4.619 1.00 44.23 H new ATOM 0 HG CYS A 9 6.552 -1.750 3.872 1.00 1.13 H new ATOM 133 N PHE A 10 3.021 -3.123 0.740 1.00 34.42 N ATOM 134 CA PHE A 10 3.324 -3.971 -0.407 1.00 54.12 C ATOM 135 C PHE A 10 4.131 -3.205 -1.451 1.00 52.31 C ATOM 136 O PHE A 10 4.212 -1.976 -1.412 1.00 22.50 O ATOM 137 CB PHE A 10 2.031 -4.500 -1.033 1.00 3.22 C ATOM 138 CG PHE A 10 1.406 -3.548 -2.011 1.00 54.34 C ATOM 139 CD1 PHE A 10 0.776 -2.395 -1.571 1.00 12.15 C ATOM 140 CD2 PHE A 10 1.448 -3.805 -3.372 1.00 74.02 C ATOM 141 CE1 PHE A 10 0.199 -1.518 -2.469 1.00 15.40 C ATOM 142 CE2 PHE A 10 0.872 -2.931 -4.275 1.00 64.15 C ATOM 143 CZ PHE A 10 0.248 -1.785 -3.823 1.00 70.31 C ATOM 0 H PHE A 10 2.674 -2.195 0.499 1.00 34.42 H new ATOM 0 HA PHE A 10 3.921 -4.813 -0.057 1.00 54.12 H new ATOM 0 HB2 PHE A 10 2.241 -5.442 -1.539 1.00 3.22 H new ATOM 0 HB3 PHE A 10 1.315 -4.716 -0.240 1.00 3.22 H new ATOM 0 HD1 PHE A 10 0.736 -2.179 -0.514 1.00 12.15 H new ATOM 0 HD2 PHE A 10 1.936 -4.699 -3.732 1.00 74.02 H new ATOM 0 HE1 PHE A 10 -0.290 -0.624 -2.112 1.00 15.40 H new ATOM 0 HE2 PHE A 10 0.910 -3.144 -5.333 1.00 64.15 H new ATOM 0 HZ PHE A 10 -0.201 -1.099 -4.527 1.00 70.31 H new ATOM 153 N THR A 11 4.728 -3.939 -2.385 1.00 75.01 N ATOM 154 CA THR A 11 5.530 -3.331 -3.439 1.00 10.34 C ATOM 155 C THR A 11 5.105 -3.834 -4.813 1.00 63.24 C ATOM 156 O THR A 11 5.063 -5.041 -5.058 1.00 43.33 O ATOM 157 CB THR A 11 7.030 -3.619 -3.240 1.00 10.13 C ATOM 158 OG1 THR A 11 7.372 -3.503 -1.854 1.00 14.20 O ATOM 159 CG2 THR A 11 7.879 -2.658 -4.059 1.00 31.33 C ATOM 0 H THR A 11 4.671 -4.956 -2.433 1.00 75.01 H new ATOM 0 HA THR A 11 5.364 -2.255 -3.382 1.00 10.34 H new ATOM 0 HB THR A 11 7.230 -4.635 -3.579 1.00 10.13 H new ATOM 0 HG1 THR A 11 8.327 -3.689 -1.736 1.00 14.20 H new ATOM 0 HG21 THR A 11 8.934 -2.881 -3.902 1.00 31.33 H new ATOM 0 HG22 THR A 11 7.638 -2.770 -5.116 1.00 31.33 H new ATOM 0 HG23 THR A 11 7.674 -1.634 -3.746 1.00 31.33 H new ATOM 167 N LEU A 12 4.792 -2.904 -5.708 1.00 52.31 N ATOM 168 CA LEU A 12 4.371 -3.254 -7.060 1.00 51.53 C ATOM 169 C LEU A 12 5.464 -2.927 -8.073 1.00 0.54 C ATOM 170 O LEU A 12 5.864 -1.772 -8.218 1.00 22.35 O ATOM 171 CB LEU A 12 3.084 -2.510 -7.424 1.00 5.13 C ATOM 172 CG LEU A 12 2.209 -3.166 -8.492 1.00 11.20 C ATOM 173 CD1 LEU A 12 1.876 -4.598 -8.104 1.00 64.20 C ATOM 174 CD2 LEU A 12 0.936 -2.360 -8.707 1.00 32.25 C ATOM 0 H LEU A 12 4.822 -1.902 -5.522 1.00 52.31 H new ATOM 0 HA LEU A 12 4.184 -4.327 -7.089 1.00 51.53 H new ATOM 0 HB2 LEU A 12 2.489 -2.390 -6.519 1.00 5.13 H new ATOM 0 HB3 LEU A 12 3.350 -1.510 -7.765 1.00 5.13 H new ATOM 0 HG LEU A 12 2.766 -3.186 -9.429 1.00 11.20 H new ATOM 0 HD11 LEU A 12 1.253 -5.049 -8.876 1.00 64.20 H new ATOM 0 HD12 LEU A 12 2.798 -5.171 -8.002 1.00 64.20 H new ATOM 0 HD13 LEU A 12 1.339 -4.602 -7.156 1.00 64.20 H new ATOM 0 HD21 LEU A 12 0.325 -2.842 -9.471 1.00 32.25 H new ATOM 0 HD22 LEU A 12 0.376 -2.309 -7.773 1.00 32.25 H new ATOM 0 HD23 LEU A 12 1.194 -1.352 -9.031 1.00 32.25 H new ATOM 186 N ASN A 13 5.941 -3.951 -8.772 1.00 43.01 N ATOM 187 CA ASN A 13 6.987 -3.772 -9.773 1.00 22.24 C ATOM 188 C ASN A 13 6.406 -3.825 -11.182 1.00 61.13 C ATOM 189 O ASN A 13 5.614 -4.709 -11.505 1.00 53.11 O ATOM 190 CB ASN A 13 8.064 -4.847 -9.612 1.00 44.23 C ATOM 191 CG ASN A 13 8.806 -4.730 -8.295 1.00 32.15 C ATOM 192 OD1 ASN A 13 8.690 -3.726 -7.591 1.00 61.41 O ATOM 193 ND2 ASN A 13 9.573 -5.759 -7.954 1.00 70.34 N ATOM 0 H ASN A 13 5.620 -4.913 -8.664 1.00 43.01 H new ATOM 0 HA ASN A 13 7.437 -2.791 -9.622 1.00 22.24 H new ATOM 0 HB2 ASN A 13 7.603 -5.832 -9.680 1.00 44.23 H new ATOM 0 HB3 ASN A 13 8.775 -4.771 -10.434 1.00 44.23 H new ATOM 0 HD21 ASN A 13 10.095 -5.737 -7.078 1.00 70.34 H new ATOM 0 HD22 ASN A 13 9.640 -6.571 -8.568 1.00 70.34 H new ATOM 200 N ASN A 14 6.807 -2.872 -12.018 1.00 30.32 N ATOM 201 CA ASN A 14 6.326 -2.810 -13.393 1.00 63.14 C ATOM 202 C ASN A 14 4.805 -2.919 -13.444 1.00 3.35 C ATOM 203 O ASN A 14 4.243 -3.856 -14.011 1.00 4.31 O ATOM 204 CB ASN A 14 6.956 -3.928 -14.227 1.00 4.12 C ATOM 205 CG ASN A 14 6.566 -3.848 -15.690 1.00 61.20 C ATOM 206 OD1 ASN A 14 6.772 -2.826 -16.344 1.00 43.12 O ATOM 207 ND2 ASN A 14 5.999 -4.930 -16.211 1.00 34.14 N ATOM 0 H ASN A 14 7.463 -2.133 -11.767 1.00 30.32 H new ATOM 0 HA ASN A 14 6.618 -1.846 -13.809 1.00 63.14 H new ATOM 0 HB2 ASN A 14 8.041 -3.875 -14.140 1.00 4.12 H new ATOM 0 HB3 ASN A 14 6.651 -4.894 -13.825 1.00 4.12 H new ATOM 0 HD21 ASN A 14 5.715 -4.935 -17.191 1.00 34.14 H new ATOM 0 HD22 ASN A 14 5.847 -5.756 -15.631 1.00 34.14 H new ATOM 214 N PRO A 15 4.122 -1.937 -12.836 1.00 72.24 N ATOM 215 CA PRO A 15 2.657 -1.899 -12.799 1.00 12.12 C ATOM 216 C PRO A 15 2.049 -1.609 -14.167 1.00 62.20 C ATOM 217 O PRO A 15 2.586 -0.815 -14.941 1.00 23.33 O ATOM 218 CB PRO A 15 2.357 -0.755 -11.827 1.00 53.22 C ATOM 219 CG PRO A 15 3.557 0.125 -11.895 1.00 64.51 C ATOM 220 CD PRO A 15 4.726 -0.789 -12.140 1.00 44.04 C ATOM 0 HA PRO A 15 2.232 -2.856 -12.497 1.00 12.12 H new ATOM 0 HB2 PRO A 15 1.454 -0.217 -12.116 1.00 53.22 H new ATOM 0 HB3 PRO A 15 2.196 -1.127 -10.815 1.00 53.22 H new ATOM 0 HG2 PRO A 15 3.459 0.857 -12.696 1.00 64.51 H new ATOM 0 HG3 PRO A 15 3.685 0.683 -10.967 1.00 64.51 H new ATOM 0 HD2 PRO A 15 5.492 -0.308 -12.749 1.00 44.04 H new ATOM 0 HD3 PRO A 15 5.203 -1.090 -11.207 1.00 44.04 H new ATOM 228 N LEU A 16 0.927 -2.257 -14.460 1.00 12.53 N ATOM 229 CA LEU A 16 0.245 -2.068 -15.736 1.00 1.34 C ATOM 230 C LEU A 16 -0.745 -0.910 -15.658 1.00 1.11 C ATOM 231 O LEU A 16 -1.346 -0.526 -16.661 1.00 52.10 O ATOM 232 CB LEU A 16 -0.483 -3.350 -16.142 1.00 33.12 C ATOM 233 CG LEU A 16 0.404 -4.518 -16.575 1.00 2.44 C ATOM 234 CD1 LEU A 16 -0.128 -5.828 -16.016 1.00 60.21 C ATOM 235 CD2 LEU A 16 0.499 -4.582 -18.092 1.00 53.31 C ATOM 0 H LEU A 16 0.470 -2.918 -13.832 1.00 12.53 H new ATOM 0 HA LEU A 16 0.996 -1.830 -16.490 1.00 1.34 H new ATOM 0 HB2 LEU A 16 -1.096 -3.677 -15.302 1.00 33.12 H new ATOM 0 HB3 LEU A 16 -1.163 -3.114 -16.960 1.00 33.12 H new ATOM 0 HG LEU A 16 1.405 -4.357 -16.175 1.00 2.44 H new ATOM 0 HD11 LEU A 16 0.516 -6.648 -16.335 1.00 60.21 H new ATOM 0 HD12 LEU A 16 -0.142 -5.780 -14.927 1.00 60.21 H new ATOM 0 HD13 LEU A 16 -1.140 -5.997 -16.385 1.00 60.21 H new ATOM 0 HD21 LEU A 16 1.134 -5.419 -18.382 1.00 53.31 H new ATOM 0 HD22 LEU A 16 -0.497 -4.719 -18.513 1.00 53.31 H new ATOM 0 HD23 LEU A 16 0.928 -3.654 -18.469 1.00 53.31 H new ATOM 247 N SER A 17 -0.907 -0.356 -14.460 1.00 75.35 N ATOM 248 CA SER A 17 -1.826 0.757 -14.251 1.00 44.13 C ATOM 249 C SER A 17 -1.815 1.203 -12.792 1.00 52.13 C ATOM 250 O SER A 17 -1.403 0.468 -11.895 1.00 11.02 O ATOM 251 CB SER A 17 -3.244 0.361 -14.665 1.00 71.42 C ATOM 252 OG SER A 17 -3.568 0.884 -15.942 1.00 21.32 O ATOM 0 H SER A 17 -0.414 -0.660 -13.620 1.00 75.35 H new ATOM 0 HA SER A 17 -1.495 1.591 -14.870 1.00 44.13 H new ATOM 0 HB2 SER A 17 -3.331 -0.725 -14.681 1.00 71.42 H new ATOM 0 HB3 SER A 17 -3.957 0.728 -13.927 1.00 71.42 H new ATOM 0 HG SER A 17 -2.903 0.585 -16.596 1.00 21.32 H new ATOM 258 N PRO A 18 -2.280 2.438 -12.549 1.00 23.54 N ATOM 259 CA PRO A 18 -2.335 3.010 -11.200 1.00 54.54 C ATOM 260 C PRO A 18 -3.388 2.336 -10.327 1.00 3.10 C ATOM 261 O PRO A 18 -4.380 1.807 -10.829 1.00 52.14 O ATOM 262 CB PRO A 18 -2.707 4.474 -11.452 1.00 72.10 C ATOM 263 CG PRO A 18 -3.422 4.464 -12.759 1.00 34.32 C ATOM 264 CD PRO A 18 -2.787 3.369 -13.570 1.00 63.13 C ATOM 0 HA PRO A 18 -1.395 2.880 -10.663 1.00 54.54 H new ATOM 0 HB2 PRO A 18 -3.342 4.864 -10.656 1.00 72.10 H new ATOM 0 HB3 PRO A 18 -1.820 5.107 -11.491 1.00 72.10 H new ATOM 0 HG2 PRO A 18 -4.487 4.279 -12.620 1.00 34.32 H new ATOM 0 HG3 PRO A 18 -3.329 5.426 -13.262 1.00 34.32 H new ATOM 0 HD2 PRO A 18 -3.509 2.888 -14.230 1.00 63.13 H new ATOM 0 HD3 PRO A 18 -1.984 3.750 -14.200 1.00 63.13 H new ATOM 272 N LEU A 19 -3.165 2.358 -9.017 1.00 55.35 N ATOM 273 CA LEU A 19 -4.096 1.749 -8.073 1.00 64.01 C ATOM 274 C LEU A 19 -5.321 2.634 -7.867 1.00 44.23 C ATOM 275 O LEU A 19 -5.358 3.776 -8.327 1.00 33.43 O ATOM 276 CB LEU A 19 -3.402 1.499 -6.733 1.00 2.11 C ATOM 277 CG LEU A 19 -1.974 0.958 -6.807 1.00 62.51 C ATOM 278 CD1 LEU A 19 -1.289 1.071 -5.454 1.00 31.52 C ATOM 279 CD2 LEU A 19 -1.975 -0.487 -7.287 1.00 53.51 C ATOM 0 H LEU A 19 -2.349 2.790 -8.585 1.00 55.35 H new ATOM 0 HA LEU A 19 -4.425 0.797 -8.489 1.00 64.01 H new ATOM 0 HB2 LEU A 19 -3.386 2.435 -6.175 1.00 2.11 H new ATOM 0 HB3 LEU A 19 -4.006 0.796 -6.159 1.00 2.11 H new ATOM 0 HG LEU A 19 -1.416 1.559 -7.525 1.00 62.51 H new ATOM 0 HD11 LEU A 19 -0.274 0.681 -5.526 1.00 31.52 H new ATOM 0 HD12 LEU A 19 -1.255 2.117 -5.150 1.00 31.52 H new ATOM 0 HD13 LEU A 19 -1.847 0.496 -4.715 1.00 31.52 H new ATOM 0 HD21 LEU A 19 -0.950 -0.856 -7.334 1.00 53.51 H new ATOM 0 HD22 LEU A 19 -2.550 -1.100 -6.593 1.00 53.51 H new ATOM 0 HD23 LEU A 19 -2.425 -0.541 -8.278 1.00 53.51 H new ATOM 291 N SER A 20 -6.320 2.101 -7.172 1.00 61.50 N ATOM 292 CA SER A 20 -7.547 2.841 -6.906 1.00 54.44 C ATOM 293 C SER A 20 -8.159 2.420 -5.574 1.00 22.33 C ATOM 294 O SER A 20 -7.960 1.294 -5.114 1.00 52.15 O ATOM 295 CB SER A 20 -8.556 2.621 -8.036 1.00 22.14 C ATOM 296 OG SER A 20 -8.864 1.245 -8.183 1.00 3.51 O ATOM 0 H SER A 20 -6.304 1.158 -6.783 1.00 61.50 H new ATOM 0 HA SER A 20 -7.297 3.901 -6.852 1.00 54.44 H new ATOM 0 HB2 SER A 20 -9.468 3.181 -7.828 1.00 22.14 H new ATOM 0 HB3 SER A 20 -8.150 3.008 -8.971 1.00 22.14 H new ATOM 0 HG SER A 20 -9.512 1.131 -8.910 1.00 3.51 H new ATOM 302 N LEU A 21 -8.904 3.331 -4.957 1.00 65.32 N ATOM 303 CA LEU A 21 -9.545 3.055 -3.676 1.00 53.04 C ATOM 304 C LEU A 21 -10.369 1.773 -3.745 1.00 24.22 C ATOM 305 O LEU A 21 -10.866 1.398 -4.807 1.00 71.21 O ATOM 306 CB LEU A 21 -10.439 4.227 -3.269 1.00 12.42 C ATOM 307 CG LEU A 21 -11.402 3.966 -2.110 1.00 3.34 C ATOM 308 CD1 LEU A 21 -10.634 3.777 -0.811 1.00 0.04 C ATOM 309 CD2 LEU A 21 -12.401 5.106 -1.979 1.00 54.23 C ATOM 0 H LEU A 21 -9.079 4.267 -5.323 1.00 65.32 H new ATOM 0 HA LEU A 21 -8.764 2.924 -2.927 1.00 53.04 H new ATOM 0 HB2 LEU A 21 -9.801 5.069 -3.002 1.00 12.42 H new ATOM 0 HB3 LEU A 21 -11.022 4.532 -4.138 1.00 12.42 H new ATOM 0 HG LEU A 21 -11.953 3.049 -2.320 1.00 3.34 H new ATOM 0 HD11 LEU A 21 -11.335 3.592 0.003 1.00 0.04 H new ATOM 0 HD12 LEU A 21 -9.959 2.927 -0.908 1.00 0.04 H new ATOM 0 HD13 LEU A 21 -10.057 4.676 -0.595 1.00 0.04 H new ATOM 0 HD21 LEU A 21 -13.078 4.903 -1.149 1.00 54.23 H new ATOM 0 HD22 LEU A 21 -11.867 6.038 -1.792 1.00 54.23 H new ATOM 0 HD23 LEU A 21 -12.974 5.195 -2.902 1.00 54.23 H new ATOM 321 N HIS A 22 -10.510 1.105 -2.604 1.00 54.02 N ATOM 322 CA HIS A 22 -11.276 -0.134 -2.534 1.00 32.30 C ATOM 323 C HIS A 22 -12.480 0.023 -1.610 1.00 30.52 C ATOM 324 O HIS A 22 -12.358 0.536 -0.497 1.00 70.43 O ATOM 325 CB HIS A 22 -10.389 -1.280 -2.045 1.00 52.23 C ATOM 326 CG HIS A 22 -10.921 -2.637 -2.388 1.00 32.35 C ATOM 327 ND1 HIS A 22 -10.891 -3.701 -1.510 1.00 44.24 N ATOM 328 CD2 HIS A 22 -11.501 -3.101 -3.519 1.00 34.40 C ATOM 329 CE1 HIS A 22 -11.427 -4.761 -2.088 1.00 52.20 C ATOM 330 NE2 HIS A 22 -11.806 -4.424 -3.307 1.00 54.55 N ATOM 0 H HIS A 22 -10.104 1.401 -1.716 1.00 54.02 H new ATOM 0 HA HIS A 22 -11.637 -0.366 -3.536 1.00 32.30 H new ATOM 0 HB2 HIS A 22 -9.395 -1.169 -2.477 1.00 52.23 H new ATOM 0 HB3 HIS A 22 -10.277 -1.206 -0.963 1.00 52.23 H new ATOM 0 HD2 HIS A 22 -11.689 -2.537 -4.420 1.00 34.40 H new ATOM 0 HE1 HIS A 22 -11.537 -5.737 -1.640 1.00 52.20 H new ATOM 0 HE2 HIS A 22 -12.253 -5.045 -3.982 1.00 54.55 H new ATOM 338 N ASP A 23 -13.641 -0.422 -2.078 1.00 50.41 N ATOM 339 CA ASP A 23 -14.867 -0.331 -1.294 1.00 10.14 C ATOM 340 C ASP A 23 -14.716 -1.061 0.037 1.00 20.21 C ATOM 341 O ASP A 23 -15.422 -0.767 1.002 1.00 70.24 O ATOM 342 CB ASP A 23 -16.044 -0.913 -2.078 1.00 50.31 C ATOM 343 CG ASP A 23 -16.695 0.110 -2.989 1.00 21.22 C ATOM 344 OD1 ASP A 23 -16.224 0.269 -4.135 1.00 12.03 O ATOM 345 OD2 ASP A 23 -17.675 0.750 -2.556 1.00 14.22 O ATOM 0 H ASP A 23 -13.759 -0.849 -2.997 1.00 50.41 H new ATOM 0 HA ASP A 23 -15.061 0.722 -1.091 1.00 10.14 H new ATOM 0 HB2 ASP A 23 -15.698 -1.758 -2.674 1.00 50.31 H new ATOM 0 HB3 ASP A 23 -16.787 -1.298 -1.380 1.00 50.31 H new ATOM 350 N SER A 24 -13.791 -2.015 0.081 1.00 35.32 N ATOM 351 CA SER A 24 -13.551 -2.791 1.292 1.00 30.31 C ATOM 352 C SER A 24 -12.597 -2.056 2.228 1.00 10.33 C ATOM 353 O SER A 24 -12.801 -2.026 3.442 1.00 42.05 O ATOM 354 CB SER A 24 -12.978 -4.165 0.938 1.00 43.34 C ATOM 355 OG SER A 24 -13.622 -4.708 -0.202 1.00 13.24 O ATOM 0 H SER A 24 -13.196 -2.269 -0.708 1.00 35.32 H new ATOM 0 HA SER A 24 -14.504 -2.924 1.803 1.00 30.31 H new ATOM 0 HB2 SER A 24 -11.908 -4.078 0.748 1.00 43.34 H new ATOM 0 HB3 SER A 24 -13.098 -4.842 1.784 1.00 43.34 H new ATOM 0 HG SER A 24 -13.354 -5.644 -0.315 1.00 13.24 H new ATOM 361 N MET A 25 -11.555 -1.463 1.655 1.00 62.23 N ATOM 362 CA MET A 25 -10.569 -0.726 2.437 1.00 32.31 C ATOM 363 C MET A 25 -11.153 0.586 2.950 1.00 53.20 C ATOM 364 O MET A 25 -12.336 0.868 2.759 1.00 54.13 O ATOM 365 CB MET A 25 -9.322 -0.449 1.595 1.00 13.32 C ATOM 366 CG MET A 25 -9.462 0.759 0.683 1.00 43.12 C ATOM 367 SD MET A 25 -7.890 1.269 -0.039 1.00 52.31 S ATOM 368 CE MET A 25 -7.532 -0.132 -1.095 1.00 63.40 C ATOM 0 H MET A 25 -11.371 -1.478 0.652 1.00 62.23 H new ATOM 0 HA MET A 25 -10.290 -1.339 3.294 1.00 32.31 H new ATOM 0 HB2 MET A 25 -8.471 -0.296 2.259 1.00 13.32 H new ATOM 0 HB3 MET A 25 -9.100 -1.328 0.989 1.00 13.32 H new ATOM 0 HG2 MET A 25 -10.166 0.527 -0.116 1.00 43.12 H new ATOM 0 HG3 MET A 25 -9.884 1.590 1.249 1.00 43.12 H new ATOM 0 HE1 MET A 25 -6.458 -0.190 -1.271 1.00 63.40 H new ATOM 0 HE2 MET A 25 -7.870 -1.048 -0.611 1.00 63.40 H new ATOM 0 HE3 MET A 25 -8.050 -0.012 -2.047 1.00 63.40 H new ATOM 378 N LYS A 26 -10.317 1.386 3.603 1.00 63.13 N ATOM 379 CA LYS A 26 -10.749 2.669 4.143 1.00 41.43 C ATOM 380 C LYS A 26 -9.792 3.783 3.730 1.00 1.35 C ATOM 381 O LYS A 26 -10.213 4.909 3.463 1.00 4.24 O ATOM 382 CB LYS A 26 -10.840 2.599 5.669 1.00 42.42 C ATOM 383 CG LYS A 26 -12.243 2.824 6.206 1.00 62.05 C ATOM 384 CD LYS A 26 -12.522 4.300 6.436 1.00 71.31 C ATOM 385 CE LYS A 26 -13.515 4.509 7.569 1.00 21.31 C ATOM 386 NZ LYS A 26 -12.848 4.492 8.901 1.00 74.13 N ATOM 0 H LYS A 26 -9.335 1.168 3.771 1.00 63.13 H new ATOM 0 HA LYS A 26 -11.735 2.892 3.737 1.00 41.43 H new ATOM 0 HB2 LYS A 26 -10.485 1.623 6.001 1.00 42.42 H new ATOM 0 HB3 LYS A 26 -10.172 3.345 6.099 1.00 42.42 H new ATOM 0 HG2 LYS A 26 -12.972 2.420 5.503 1.00 62.05 H new ATOM 0 HG3 LYS A 26 -12.367 2.279 7.142 1.00 62.05 H new ATOM 0 HD2 LYS A 26 -11.590 4.816 6.668 1.00 71.31 H new ATOM 0 HD3 LYS A 26 -12.913 4.744 5.521 1.00 71.31 H new ATOM 0 HE2 LYS A 26 -14.028 5.461 7.432 1.00 21.31 H new ATOM 0 HE3 LYS A 26 -14.276 3.729 7.534 1.00 21.31 H new ATOM 0 HZ1 LYS A 26 -13.558 4.638 9.647 1.00 74.13 H new ATOM 0 HZ2 LYS A 26 -12.380 3.574 9.043 1.00 74.13 H new ATOM 0 HZ3 LYS A 26 -12.140 5.252 8.944 1.00 74.13 H new ATOM 400 N TYR A 27 -8.504 3.462 3.679 1.00 31.34 N ATOM 401 CA TYR A 27 -7.487 4.436 3.300 1.00 35.32 C ATOM 402 C TYR A 27 -6.554 3.864 2.237 1.00 35.54 C ATOM 403 O TYR A 27 -6.282 2.663 2.215 1.00 65.40 O ATOM 404 CB TYR A 27 -6.680 4.865 4.526 1.00 22.33 C ATOM 405 CG TYR A 27 -6.257 6.316 4.496 1.00 54.25 C ATOM 406 CD1 TYR A 27 -7.191 7.328 4.308 1.00 35.14 C ATOM 407 CD2 TYR A 27 -4.925 6.676 4.653 1.00 42.15 C ATOM 408 CE1 TYR A 27 -6.810 8.655 4.279 1.00 53.42 C ATOM 409 CE2 TYR A 27 -4.535 8.001 4.626 1.00 63.01 C ATOM 410 CZ TYR A 27 -5.481 8.987 4.439 1.00 60.15 C ATOM 411 OH TYR A 27 -5.096 10.308 4.410 1.00 73.21 O ATOM 0 H TYR A 27 -8.139 2.534 3.895 1.00 31.34 H new ATOM 0 HA TYR A 27 -7.992 5.307 2.883 1.00 35.32 H new ATOM 0 HB2 TYR A 27 -7.275 4.687 5.422 1.00 22.33 H new ATOM 0 HB3 TYR A 27 -5.792 4.238 4.603 1.00 22.33 H new ATOM 0 HD1 TYR A 27 -8.233 7.072 4.182 1.00 35.14 H new ATOM 0 HD2 TYR A 27 -4.181 5.907 4.799 1.00 42.15 H new ATOM 0 HE1 TYR A 27 -7.549 9.429 4.132 1.00 53.42 H new ATOM 0 HE2 TYR A 27 -3.495 8.263 4.751 1.00 63.01 H new ATOM 0 HH TYR A 27 -4.126 10.369 4.538 1.00 73.21 H new ATOM 421 N LEU A 28 -6.067 4.732 1.358 1.00 75.11 N ATOM 422 CA LEU A 28 -5.164 4.315 0.291 1.00 3.22 C ATOM 423 C LEU A 28 -3.955 5.242 0.209 1.00 23.40 C ATOM 424 O LEU A 28 -4.099 6.458 0.085 1.00 64.12 O ATOM 425 CB LEU A 28 -5.899 4.298 -1.050 1.00 35.03 C ATOM 426 CG LEU A 28 -5.018 4.272 -2.299 1.00 2.22 C ATOM 427 CD1 LEU A 28 -3.971 3.174 -2.191 1.00 0.33 C ATOM 428 CD2 LEU A 28 -5.867 4.081 -3.547 1.00 61.11 C ATOM 0 H LEU A 28 -6.282 5.729 1.363 1.00 75.11 H new ATOM 0 HA LEU A 28 -4.813 3.308 0.518 1.00 3.22 H new ATOM 0 HB2 LEU A 28 -6.552 3.425 -1.072 1.00 35.03 H new ATOM 0 HB3 LEU A 28 -6.541 5.178 -1.101 1.00 35.03 H new ATOM 0 HG LEU A 28 -4.504 5.230 -2.377 1.00 2.22 H new ATOM 0 HD11 LEU A 28 -3.353 3.171 -3.089 1.00 0.33 H new ATOM 0 HD12 LEU A 28 -3.343 3.355 -1.319 1.00 0.33 H new ATOM 0 HD13 LEU A 28 -4.466 2.208 -2.087 1.00 0.33 H new ATOM 0 HD21 LEU A 28 -5.223 4.065 -4.426 1.00 61.11 H new ATOM 0 HD22 LEU A 28 -6.409 3.138 -3.477 1.00 61.11 H new ATOM 0 HD23 LEU A 28 -6.578 4.903 -3.633 1.00 61.11 H new ATOM 440 N VAL A 29 -2.762 4.658 0.277 1.00 35.31 N ATOM 441 CA VAL A 29 -1.528 5.430 0.207 1.00 42.01 C ATOM 442 C VAL A 29 -0.472 4.704 -0.620 1.00 0.45 C ATOM 443 O VAL A 29 -0.089 3.577 -0.305 1.00 4.52 O ATOM 444 CB VAL A 29 -0.961 5.711 1.611 1.00 10.12 C ATOM 445 CG1 VAL A 29 0.352 6.472 1.515 1.00 45.04 C ATOM 446 CG2 VAL A 29 -1.972 6.480 2.449 1.00 24.31 C ATOM 0 H VAL A 29 -2.625 3.653 0.381 1.00 35.31 H new ATOM 0 HA VAL A 29 -1.774 6.377 -0.273 1.00 42.01 H new ATOM 0 HB VAL A 29 -0.765 4.758 2.102 1.00 10.12 H new ATOM 0 HG11 VAL A 29 0.737 6.661 2.517 1.00 45.04 H new ATOM 0 HG12 VAL A 29 1.075 5.880 0.954 1.00 45.04 H new ATOM 0 HG13 VAL A 29 0.186 7.421 1.005 1.00 45.04 H new ATOM 0 HG21 VAL A 29 -1.555 6.670 3.438 1.00 24.31 H new ATOM 0 HG22 VAL A 29 -2.201 7.429 1.963 1.00 24.31 H new ATOM 0 HG23 VAL A 29 -2.885 5.893 2.547 1.00 24.31 H new ATOM 456 N TYR A 30 -0.005 5.358 -1.678 1.00 31.24 N ATOM 457 CA TYR A 30 1.006 4.774 -2.551 1.00 50.43 C ATOM 458 C TYR A 30 1.822 5.862 -3.243 1.00 1.35 C ATOM 459 O TYR A 30 1.365 6.995 -3.392 1.00 74.25 O ATOM 460 CB TYR A 30 0.348 3.873 -3.597 1.00 74.01 C ATOM 461 CG TYR A 30 -0.079 4.608 -4.848 1.00 1.03 C ATOM 462 CD1 TYR A 30 -1.229 5.387 -4.861 1.00 51.15 C ATOM 463 CD2 TYR A 30 0.669 4.524 -6.016 1.00 4.14 C ATOM 464 CE1 TYR A 30 -1.623 6.060 -6.002 1.00 62.41 C ATOM 465 CE2 TYR A 30 0.284 5.194 -7.161 1.00 1.45 C ATOM 466 CZ TYR A 30 -0.863 5.960 -7.149 1.00 1.31 C ATOM 467 OH TYR A 30 -1.251 6.630 -8.287 1.00 21.12 O ATOM 0 H TYR A 30 -0.310 6.292 -1.951 1.00 31.24 H new ATOM 0 HA TYR A 30 1.678 4.175 -1.936 1.00 50.43 H new ATOM 0 HB2 TYR A 30 1.044 3.081 -3.871 1.00 74.01 H new ATOM 0 HB3 TYR A 30 -0.524 3.392 -3.153 1.00 74.01 H new ATOM 0 HD1 TYR A 30 -1.825 5.468 -3.964 1.00 51.15 H new ATOM 0 HD2 TYR A 30 1.567 3.924 -6.029 1.00 4.14 H new ATOM 0 HE1 TYR A 30 -2.521 6.661 -5.996 1.00 62.41 H new ATOM 0 HE2 TYR A 30 0.877 5.119 -8.060 1.00 1.45 H new ATOM 0 HH TYR A 30 -0.693 7.427 -8.404 1.00 21.12 H new ATOM 477 N GLN A 31 3.033 5.508 -3.662 1.00 12.44 N ATOM 478 CA GLN A 31 3.913 6.454 -4.337 1.00 65.01 C ATOM 479 C GLN A 31 4.740 5.756 -5.412 1.00 73.22 C ATOM 480 O GLN A 31 4.942 4.542 -5.365 1.00 74.23 O ATOM 481 CB GLN A 31 4.839 7.133 -3.326 1.00 63.32 C ATOM 482 CG GLN A 31 4.167 7.442 -1.998 1.00 43.42 C ATOM 483 CD GLN A 31 5.083 8.175 -1.038 1.00 0.23 C ATOM 484 OE1 GLN A 31 4.653 8.300 0.212 1.00 33.42 O flip ATOM 485 NE2 GLN A 31 6.166 8.625 -1.415 1.00 14.03 N flip ATOM 0 H GLN A 31 3.426 4.574 -3.546 1.00 12.44 H new ATOM 0 HA GLN A 31 3.292 7.211 -4.816 1.00 65.01 H new ATOM 0 HB2 GLN A 31 5.701 6.491 -3.147 1.00 63.32 H new ATOM 0 HB3 GLN A 31 5.217 8.060 -3.757 1.00 63.32 H new ATOM 0 HG2 GLN A 31 3.277 8.045 -2.177 1.00 43.42 H new ATOM 0 HG3 GLN A 31 3.834 6.511 -1.538 1.00 43.42 H new ATOM 0 HE21 GLN A 31 6.458 8.506 -2.385 1.00 14.03 H new ATOM 0 HE22 GLN A 31 6.771 9.116 -0.757 1.00 14.03 H new ATOM 494 N THR A 32 5.216 6.531 -6.382 1.00 70.50 N ATOM 495 CA THR A 32 6.019 5.987 -7.470 1.00 30.31 C ATOM 496 C THR A 32 7.505 6.221 -7.227 1.00 4.34 C ATOM 497 O THR A 32 7.901 7.261 -6.701 1.00 55.42 O ATOM 498 CB THR A 32 5.627 6.610 -8.823 1.00 63.21 C ATOM 499 OG1 THR A 32 4.280 6.256 -9.154 1.00 31.51 O ATOM 500 CG2 THR A 32 6.565 6.142 -9.926 1.00 2.32 C ATOM 0 H THR A 32 5.059 7.537 -6.436 1.00 70.50 H new ATOM 0 HA THR A 32 5.824 4.915 -7.502 1.00 30.31 H new ATOM 0 HB THR A 32 5.706 7.694 -8.735 1.00 63.21 H new ATOM 0 HG1 THR A 32 4.133 5.308 -8.955 1.00 31.51 H new ATOM 0 HG21 THR A 32 6.269 6.595 -10.872 1.00 2.32 H new ATOM 0 HG22 THR A 32 7.586 6.439 -9.686 1.00 2.32 H new ATOM 0 HG23 THR A 32 6.513 5.057 -10.011 1.00 2.32 H new ATOM 508 N GLU A 33 8.324 5.248 -7.613 1.00 25.03 N ATOM 509 CA GLU A 33 9.768 5.350 -7.436 1.00 2.34 C ATOM 510 C GLU A 33 10.506 4.817 -8.660 1.00 72.05 C ATOM 511 O GLU A 33 9.987 3.973 -9.390 1.00 62.42 O ATOM 512 CB GLU A 33 10.207 4.581 -6.188 1.00 1.44 C ATOM 513 CG GLU A 33 11.563 5.012 -5.653 1.00 34.12 C ATOM 514 CD GLU A 33 12.289 3.891 -4.934 1.00 52.41 C ATOM 515 OE1 GLU A 33 11.649 2.859 -4.644 1.00 10.21 O ATOM 516 OE2 GLU A 33 13.498 4.047 -4.662 1.00 53.41 O ATOM 0 H GLU A 33 8.013 4.381 -8.050 1.00 25.03 H new ATOM 0 HA GLU A 33 10.019 6.404 -7.312 1.00 2.34 H new ATOM 0 HB2 GLU A 33 9.458 4.715 -5.407 1.00 1.44 H new ATOM 0 HB3 GLU A 33 10.239 3.516 -6.420 1.00 1.44 H new ATOM 0 HG2 GLU A 33 12.179 5.368 -6.479 1.00 34.12 H new ATOM 0 HG3 GLU A 33 11.430 5.851 -4.970 1.00 34.12 H new ATOM 523 N GLN A 34 11.718 5.317 -8.878 1.00 52.14 N ATOM 524 CA GLN A 34 12.526 4.892 -10.015 1.00 50.01 C ATOM 525 C GLN A 34 13.477 3.768 -9.617 1.00 1.22 C ATOM 526 O GLN A 34 14.137 3.838 -8.581 1.00 33.42 O ATOM 527 CB GLN A 34 13.320 6.074 -10.574 1.00 10.12 C ATOM 528 CG GLN A 34 13.068 6.333 -12.050 1.00 72.24 C ATOM 529 CD GLN A 34 14.324 6.203 -12.889 1.00 23.15 C ATOM 530 OE1 GLN A 34 14.358 5.456 -13.867 1.00 34.54 O ATOM 531 NE2 GLN A 34 15.367 6.932 -12.509 1.00 43.02 N ATOM 0 H GLN A 34 12.162 6.016 -8.283 1.00 52.14 H new ATOM 0 HA GLN A 34 11.853 4.518 -10.787 1.00 50.01 H new ATOM 0 HB2 GLN A 34 13.067 6.971 -10.008 1.00 10.12 H new ATOM 0 HB3 GLN A 34 14.384 5.891 -10.422 1.00 10.12 H new ATOM 0 HG2 GLN A 34 12.318 5.631 -12.415 1.00 72.24 H new ATOM 0 HG3 GLN A 34 12.655 7.334 -12.174 1.00 72.24 H new ATOM 0 HE21 GLN A 34 15.295 7.538 -11.692 1.00 43.02 H new ATOM 0 HE22 GLN A 34 16.240 6.886 -13.034 1.00 43.02 H new ATOM 540 N GLY A 35 13.542 2.732 -10.448 1.00 10.04 N ATOM 541 CA GLY A 35 14.415 1.608 -10.164 1.00 75.42 C ATOM 542 C GLY A 35 14.188 0.445 -11.110 1.00 41.14 C ATOM 543 O GLY A 35 13.278 0.479 -11.938 1.00 1.01 O ATOM 0 H GLY A 35 13.006 2.651 -11.312 1.00 10.04 H new ATOM 0 HA2 GLY A 35 15.454 1.932 -10.233 1.00 75.42 H new ATOM 0 HA3 GLY A 35 14.253 1.276 -9.139 1.00 75.42 H new ATOM 547 N GLU A 36 15.019 -0.585 -10.989 1.00 62.30 N ATOM 548 CA GLU A 36 14.906 -1.762 -11.843 1.00 13.03 C ATOM 549 C GLU A 36 14.524 -1.367 -13.266 1.00 42.54 C ATOM 550 O GLU A 36 13.351 -1.392 -13.635 1.00 55.15 O ATOM 551 CB GLU A 36 13.868 -2.733 -11.276 1.00 14.32 C ATOM 552 CG GLU A 36 12.574 -2.059 -10.849 1.00 22.42 C ATOM 553 CD GLU A 36 11.547 -3.046 -10.328 1.00 70.15 C ATOM 554 OE1 GLU A 36 11.952 -4.070 -9.739 1.00 40.41 O ATOM 555 OE2 GLU A 36 10.337 -2.794 -10.511 1.00 4.10 O ATOM 0 H GLU A 36 15.778 -0.629 -10.308 1.00 62.30 H new ATOM 0 HA GLU A 36 15.878 -2.255 -11.869 1.00 13.03 H new ATOM 0 HB2 GLU A 36 13.643 -3.490 -12.027 1.00 14.32 H new ATOM 0 HB3 GLU A 36 14.298 -3.252 -10.419 1.00 14.32 H new ATOM 0 HG2 GLU A 36 12.790 -1.323 -10.075 1.00 22.42 H new ATOM 0 HG3 GLU A 36 12.154 -1.517 -11.696 1.00 22.42 H new ATOM 562 N ALA A 37 15.525 -1.001 -14.061 1.00 12.32 N ATOM 563 CA ALA A 37 15.295 -0.601 -15.444 1.00 24.42 C ATOM 564 C ALA A 37 14.438 0.657 -15.517 1.00 13.33 C ATOM 565 O ALA A 37 13.950 1.147 -14.499 1.00 55.44 O ATOM 566 CB ALA A 37 14.640 -1.735 -16.219 1.00 14.15 C ATOM 0 H ALA A 37 16.502 -0.973 -13.771 1.00 12.32 H new ATOM 0 HA ALA A 37 16.261 -0.377 -15.897 1.00 24.42 H new ATOM 0 HB1 ALA A 37 14.474 -1.423 -17.250 1.00 14.15 H new ATOM 0 HB2 ALA A 37 15.291 -2.609 -16.205 1.00 14.15 H new ATOM 0 HB3 ALA A 37 13.685 -1.987 -15.758 1.00 14.15 H new ATOM 572 N GLY A 38 14.259 1.177 -16.728 1.00 33.24 N ATOM 573 CA GLY A 38 13.460 2.375 -16.910 1.00 64.11 C ATOM 574 C GLY A 38 12.092 2.263 -16.267 1.00 42.42 C ATOM 575 O GLY A 38 11.495 3.269 -15.886 1.00 75.22 O ATOM 0 H GLY A 38 14.653 0.790 -17.586 1.00 33.24 H new ATOM 0 HA2 GLY A 38 13.989 3.228 -16.486 1.00 64.11 H new ATOM 0 HA3 GLY A 38 13.342 2.571 -17.976 1.00 64.11 H new ATOM 579 N ASN A 39 11.594 1.037 -16.148 1.00 23.11 N ATOM 580 CA ASN A 39 10.286 0.798 -15.549 1.00 23.02 C ATOM 581 C ASN A 39 10.196 1.439 -14.167 1.00 74.31 C ATOM 582 O ASN A 39 11.200 1.883 -13.611 1.00 42.41 O ATOM 583 CB ASN A 39 10.016 -0.705 -15.445 1.00 44.52 C ATOM 584 CG ASN A 39 10.374 -1.445 -16.719 1.00 61.32 C ATOM 585 OD1 ASN A 39 10.187 -0.932 -17.822 1.00 45.34 O ATOM 586 ND2 ASN A 39 10.891 -2.660 -16.572 1.00 42.40 N ATOM 0 H ASN A 39 12.076 0.193 -16.458 1.00 23.11 H new ATOM 0 HA ASN A 39 9.531 1.252 -16.191 1.00 23.02 H new ATOM 0 HB2 ASN A 39 10.589 -1.118 -14.615 1.00 44.52 H new ATOM 0 HB3 ASN A 39 8.963 -0.867 -15.217 1.00 44.52 H new ATOM 0 HD21 ASN A 39 11.150 -3.207 -17.393 1.00 42.40 H new ATOM 0 HD22 ASN A 39 11.029 -3.046 -15.638 1.00 42.40 H new ATOM 593 N ILE A 40 8.986 1.481 -13.619 1.00 51.41 N ATOM 594 CA ILE A 40 8.765 2.066 -12.302 1.00 75.23 C ATOM 595 C ILE A 40 8.036 1.091 -11.384 1.00 22.25 C ATOM 596 O ILE A 40 7.491 0.084 -11.836 1.00 73.22 O ATOM 597 CB ILE A 40 7.952 3.371 -12.395 1.00 30.10 C ATOM 598 CG1 ILE A 40 6.957 3.297 -13.555 1.00 63.32 C ATOM 599 CG2 ILE A 40 8.882 4.563 -12.563 1.00 0.11 C ATOM 600 CD1 ILE A 40 6.052 4.505 -13.654 1.00 24.24 C ATOM 0 H ILE A 40 8.144 1.117 -14.066 1.00 51.41 H new ATOM 0 HA ILE A 40 9.748 2.289 -11.886 1.00 75.23 H new ATOM 0 HB ILE A 40 7.392 3.499 -11.469 1.00 30.10 H new ATOM 0 HG12 ILE A 40 7.508 3.189 -14.489 1.00 63.32 H new ATOM 0 HG13 ILE A 40 6.344 2.403 -13.441 1.00 63.32 H new ATOM 0 HG21 ILE A 40 8.293 5.478 -12.627 1.00 0.11 H new ATOM 0 HG22 ILE A 40 9.554 4.624 -11.707 1.00 0.11 H new ATOM 0 HG23 ILE A 40 9.466 4.443 -13.475 1.00 0.11 H new ATOM 0 HD11 ILE A 40 5.374 4.383 -14.498 1.00 24.24 H new ATOM 0 HD12 ILE A 40 5.474 4.603 -12.735 1.00 24.24 H new ATOM 0 HD13 ILE A 40 6.656 5.401 -13.800 1.00 24.24 H new ATOM 612 N HIS A 41 8.030 1.397 -10.090 1.00 51.41 N ATOM 613 CA HIS A 41 7.366 0.549 -9.107 1.00 11.14 C ATOM 614 C HIS A 41 6.653 1.393 -8.055 1.00 14.05 C ATOM 615 O HIS A 41 7.121 2.470 -7.686 1.00 2.31 O ATOM 616 CB HIS A 41 8.379 -0.377 -8.433 1.00 45.43 C ATOM 617 CG HIS A 41 9.729 0.246 -8.248 1.00 50.13 C ATOM 618 ND1 HIS A 41 10.084 1.517 -7.944 1.00 41.31 N flip ATOM 619 CD2 HIS A 41 10.907 -0.459 -8.377 1.00 74.53 C flip ATOM 620 CE1 HIS A 41 11.455 1.555 -7.894 1.00 70.35 C flip ATOM 621 NE2 HIS A 41 11.928 0.351 -8.158 1.00 44.42 N flip ATOM 0 H HIS A 41 8.477 2.226 -9.698 1.00 51.41 H new ATOM 0 HA HIS A 41 6.623 -0.055 -9.628 1.00 11.14 H new ATOM 0 HB2 HIS A 41 7.991 -0.680 -7.460 1.00 45.43 H new ATOM 0 HB3 HIS A 41 8.485 -1.283 -9.030 1.00 45.43 H new ATOM 0 HD1 HIS A 41 9.451 2.300 -7.782 1.00 41.31 H new ATOM 0 HD2 HIS A 41 10.983 -1.509 -8.619 1.00 74.53 H new ATOM 0 HE1 HIS A 41 12.051 2.429 -7.674 1.00 70.35 H new ATOM 629 N PHE A 42 5.517 0.897 -7.575 1.00 72.34 N ATOM 630 CA PHE A 42 4.738 1.606 -6.567 1.00 72.10 C ATOM 631 C PHE A 42 5.101 1.128 -5.164 1.00 40.31 C ATOM 632 O PHE A 42 5.453 -0.034 -4.965 1.00 75.23 O ATOM 633 CB PHE A 42 3.241 1.406 -6.815 1.00 22.05 C ATOM 634 CG PHE A 42 2.774 1.949 -8.135 1.00 21.02 C ATOM 635 CD1 PHE A 42 3.354 3.085 -8.676 1.00 11.12 C ATOM 636 CD2 PHE A 42 1.755 1.323 -8.834 1.00 52.45 C ATOM 637 CE1 PHE A 42 2.927 3.587 -9.891 1.00 12.23 C ATOM 638 CE2 PHE A 42 1.324 1.821 -10.050 1.00 32.41 C ATOM 639 CZ PHE A 42 1.910 2.955 -10.578 1.00 74.51 C ATOM 0 H PHE A 42 5.116 0.006 -7.868 1.00 72.34 H new ATOM 0 HA PHE A 42 4.973 2.668 -6.642 1.00 72.10 H new ATOM 0 HB2 PHE A 42 3.012 0.341 -6.768 1.00 22.05 H new ATOM 0 HB3 PHE A 42 2.681 1.888 -6.014 1.00 22.05 H new ATOM 0 HD1 PHE A 42 4.149 3.584 -8.142 1.00 11.12 H new ATOM 0 HD2 PHE A 42 1.292 0.437 -8.425 1.00 52.45 H new ATOM 0 HE1 PHE A 42 3.388 4.473 -10.302 1.00 12.23 H new ATOM 0 HE2 PHE A 42 0.530 1.324 -10.587 1.00 32.41 H new ATOM 0 HZ PHE A 42 1.573 3.346 -11.527 1.00 74.51 H new ATOM 649 N GLN A 43 5.014 2.035 -4.196 1.00 33.42 N ATOM 650 CA GLN A 43 5.334 1.706 -2.812 1.00 1.42 C ATOM 651 C GLN A 43 4.429 2.467 -1.848 1.00 41.24 C ATOM 652 O GLN A 43 4.143 3.647 -2.050 1.00 22.33 O ATOM 653 CB GLN A 43 6.800 2.029 -2.515 1.00 72.53 C ATOM 654 CG GLN A 43 7.692 0.799 -2.450 1.00 14.22 C ATOM 655 CD GLN A 43 8.388 0.512 -3.766 1.00 12.54 C ATOM 656 OE1 GLN A 43 7.888 0.864 -4.835 1.00 22.41 O ATOM 657 NE2 GLN A 43 9.548 -0.129 -3.694 1.00 43.12 N ATOM 0 H GLN A 43 4.725 3.002 -4.344 1.00 33.42 H new ATOM 0 HA GLN A 43 5.168 0.638 -2.671 1.00 1.42 H new ATOM 0 HB2 GLN A 43 7.178 2.702 -3.284 1.00 72.53 H new ATOM 0 HB3 GLN A 43 6.861 2.563 -1.567 1.00 72.53 H new ATOM 0 HG2 GLN A 43 8.441 0.939 -1.670 1.00 14.22 H new ATOM 0 HG3 GLN A 43 7.092 -0.065 -2.165 1.00 14.22 H new ATOM 0 HE21 GLN A 43 9.925 -0.402 -2.786 1.00 43.12 H new ATOM 0 HE22 GLN A 43 10.063 -0.349 -4.547 1.00 43.12 H new ATOM 666 N GLY A 44 3.980 1.783 -0.800 1.00 44.02 N ATOM 667 CA GLY A 44 3.112 2.410 0.178 1.00 13.45 C ATOM 668 C GLY A 44 2.373 1.398 1.031 1.00 12.23 C ATOM 669 O GLY A 44 2.615 0.195 0.929 1.00 55.34 O ATOM 0 H GLY A 44 4.202 0.806 -0.611 1.00 44.02 H new ATOM 0 HA2 GLY A 44 3.705 3.059 0.822 1.00 13.45 H new ATOM 0 HA3 GLY A 44 2.389 3.044 -0.336 1.00 13.45 H new ATOM 673 N TYR A 45 1.471 1.885 1.876 1.00 1.04 N ATOM 674 CA TYR A 45 0.698 1.015 2.754 1.00 74.52 C ATOM 675 C TYR A 45 -0.799 1.213 2.536 1.00 34.11 C ATOM 676 O TYR A 45 -1.264 2.334 2.325 1.00 61.54 O ATOM 677 CB TYR A 45 1.052 1.285 4.217 1.00 52.30 C ATOM 678 CG TYR A 45 1.325 2.742 4.514 1.00 13.43 C ATOM 679 CD1 TYR A 45 0.288 3.615 4.823 1.00 71.43 C ATOM 680 CD2 TYR A 45 2.619 3.247 4.486 1.00 52.21 C ATOM 681 CE1 TYR A 45 0.532 4.947 5.094 1.00 23.04 C ATOM 682 CE2 TYR A 45 2.873 4.578 4.758 1.00 74.43 C ATOM 683 CZ TYR A 45 1.826 5.423 5.061 1.00 2.51 C ATOM 684 OH TYR A 45 2.075 6.750 5.331 1.00 32.30 O ATOM 0 H TYR A 45 1.257 2.878 1.971 1.00 1.04 H new ATOM 0 HA TYR A 45 0.949 -0.018 2.512 1.00 74.52 H new ATOM 0 HB2 TYR A 45 0.234 0.941 4.850 1.00 52.30 H new ATOM 0 HB3 TYR A 45 1.930 0.697 4.484 1.00 52.30 H new ATOM 0 HD1 TYR A 45 -0.726 3.245 4.852 1.00 71.43 H new ATOM 0 HD2 TYR A 45 3.441 2.588 4.248 1.00 52.21 H new ATOM 0 HE1 TYR A 45 -0.286 5.612 5.330 1.00 23.04 H new ATOM 0 HE2 TYR A 45 3.885 4.954 4.733 1.00 74.43 H new ATOM 0 HH TYR A 45 3.003 6.963 5.097 1.00 32.30 H new ATOM 694 N ILE A 46 -1.549 0.117 2.590 1.00 23.03 N ATOM 695 CA ILE A 46 -2.993 0.170 2.401 1.00 20.41 C ATOM 696 C ILE A 46 -3.727 -0.390 3.615 1.00 51.11 C ATOM 697 O ILE A 46 -3.456 -1.506 4.056 1.00 61.21 O ATOM 698 CB ILE A 46 -3.426 -0.614 1.148 1.00 45.24 C ATOM 699 CG1 ILE A 46 -2.671 -0.107 -0.083 1.00 4.11 C ATOM 700 CG2 ILE A 46 -4.928 -0.494 0.941 1.00 60.15 C ATOM 701 CD1 ILE A 46 -2.845 -0.985 -1.303 1.00 4.45 C ATOM 0 H ILE A 46 -1.180 -0.818 2.763 1.00 23.03 H new ATOM 0 HA ILE A 46 -3.256 1.220 2.272 1.00 20.41 H new ATOM 0 HB ILE A 46 -3.182 -1.666 1.293 1.00 45.24 H new ATOM 0 HG12 ILE A 46 -3.013 0.901 -0.319 1.00 4.11 H new ATOM 0 HG13 ILE A 46 -1.610 -0.036 0.155 1.00 4.11 H new ATOM 0 HG21 ILE A 46 -5.219 -1.053 0.052 1.00 60.15 H new ATOM 0 HG22 ILE A 46 -5.448 -0.898 1.810 1.00 60.15 H new ATOM 0 HG23 ILE A 46 -5.195 0.555 0.813 1.00 60.15 H new ATOM 0 HD11 ILE A 46 -2.282 -0.565 -2.137 1.00 4.45 H new ATOM 0 HD12 ILE A 46 -2.477 -1.988 -1.085 1.00 4.45 H new ATOM 0 HD13 ILE A 46 -3.901 -1.036 -1.567 1.00 4.45 H new ATOM 713 N GLU A 47 -4.659 0.393 4.149 1.00 11.40 N ATOM 714 CA GLU A 47 -5.433 -0.025 5.312 1.00 74.24 C ATOM 715 C GLU A 47 -6.795 -0.571 4.891 1.00 41.12 C ATOM 716 O GLU A 47 -7.619 0.152 4.333 1.00 55.33 O ATOM 717 CB GLU A 47 -5.618 1.147 6.278 1.00 21.41 C ATOM 718 CG GLU A 47 -4.313 1.804 6.694 1.00 24.32 C ATOM 719 CD GLU A 47 -4.456 3.297 6.917 1.00 32.44 C ATOM 720 OE1 GLU A 47 -5.391 3.702 7.639 1.00 22.14 O ATOM 721 OE2 GLU A 47 -3.633 4.060 6.370 1.00 61.42 O ATOM 0 H GLU A 47 -4.896 1.320 3.795 1.00 11.40 H new ATOM 0 HA GLU A 47 -4.882 -0.819 5.817 1.00 74.24 H new ATOM 0 HB2 GLU A 47 -6.259 1.895 5.810 1.00 21.41 H new ATOM 0 HB3 GLU A 47 -6.138 0.794 7.169 1.00 21.41 H new ATOM 0 HG2 GLU A 47 -3.951 1.337 7.610 1.00 24.32 H new ATOM 0 HG3 GLU A 47 -3.560 1.626 5.926 1.00 24.32 H new ATOM 728 N MET A 48 -7.022 -1.852 5.162 1.00 10.13 N ATOM 729 CA MET A 48 -8.283 -2.495 4.813 1.00 53.25 C ATOM 730 C MET A 48 -9.364 -2.166 5.838 1.00 23.51 C ATOM 731 O MET A 48 -9.124 -1.428 6.793 1.00 5.24 O ATOM 732 CB MET A 48 -8.098 -4.010 4.717 1.00 75.53 C ATOM 733 CG MET A 48 -7.286 -4.448 3.509 1.00 24.42 C ATOM 734 SD MET A 48 -8.289 -5.271 2.258 1.00 74.34 S ATOM 735 CE MET A 48 -8.848 -3.868 1.295 1.00 12.23 C ATOM 0 H MET A 48 -6.349 -2.465 5.622 1.00 10.13 H new ATOM 0 HA MET A 48 -8.600 -2.113 3.843 1.00 53.25 H new ATOM 0 HB2 MET A 48 -7.607 -4.366 5.623 1.00 75.53 H new ATOM 0 HB3 MET A 48 -9.078 -4.486 4.678 1.00 75.53 H new ATOM 0 HG2 MET A 48 -6.803 -3.577 3.066 1.00 24.42 H new ATOM 0 HG3 MET A 48 -6.493 -5.122 3.834 1.00 24.42 H new ATOM 0 HE1 MET A 48 -8.713 -4.078 0.234 1.00 12.23 H new ATOM 0 HE2 MET A 48 -9.903 -3.685 1.497 1.00 12.23 H new ATOM 0 HE3 MET A 48 -8.269 -2.986 1.567 1.00 12.23 H new ATOM 745 N LYS A 49 -10.554 -2.719 5.634 1.00 35.51 N ATOM 746 CA LYS A 49 -11.672 -2.487 6.541 1.00 12.31 C ATOM 747 C LYS A 49 -11.322 -2.926 7.959 1.00 14.55 C ATOM 748 O LYS A 49 -11.238 -2.103 8.872 1.00 34.30 O ATOM 749 CB LYS A 49 -12.914 -3.237 6.055 1.00 15.05 C ATOM 750 CG LYS A 49 -14.159 -2.369 5.981 1.00 63.01 C ATOM 751 CD LYS A 49 -15.218 -2.989 5.085 1.00 41.43 C ATOM 752 CE LYS A 49 -15.713 -4.315 5.641 1.00 2.33 C ATOM 753 NZ LYS A 49 -17.130 -4.234 6.090 1.00 55.51 N ATOM 0 H LYS A 49 -10.770 -3.332 4.848 1.00 35.51 H new ATOM 0 HA LYS A 49 -11.883 -1.418 6.552 1.00 12.31 H new ATOM 0 HB2 LYS A 49 -12.713 -3.654 5.068 1.00 15.05 H new ATOM 0 HB3 LYS A 49 -13.106 -4.077 6.723 1.00 15.05 H new ATOM 0 HG2 LYS A 49 -14.565 -2.228 6.982 1.00 63.01 H new ATOM 0 HG3 LYS A 49 -13.894 -1.382 5.603 1.00 63.01 H new ATOM 0 HD2 LYS A 49 -16.057 -2.301 4.982 1.00 41.43 H new ATOM 0 HD3 LYS A 49 -14.807 -3.143 4.087 1.00 41.43 H new ATOM 0 HE2 LYS A 49 -15.618 -5.087 4.878 1.00 2.33 H new ATOM 0 HE3 LYS A 49 -15.083 -4.615 6.479 1.00 2.33 H new ATOM 0 HZ1 LYS A 49 -17.430 -5.158 6.462 1.00 55.51 H new ATOM 0 HZ2 LYS A 49 -17.217 -3.515 6.837 1.00 55.51 H new ATOM 0 HZ3 LYS A 49 -17.735 -3.972 5.285 1.00 55.51 H new ATOM 767 N LYS A 50 -11.118 -4.226 8.138 1.00 21.20 N ATOM 768 CA LYS A 50 -10.774 -4.775 9.444 1.00 12.14 C ATOM 769 C LYS A 50 -10.483 -6.269 9.348 1.00 72.15 C ATOM 770 O LYS A 50 -9.328 -6.691 9.402 1.00 1.21 O ATOM 771 CB LYS A 50 -11.911 -4.529 10.439 1.00 72.42 C ATOM 772 CG LYS A 50 -11.553 -3.549 11.542 1.00 11.22 C ATOM 773 CD LYS A 50 -12.755 -3.228 12.415 1.00 50.24 C ATOM 774 CE LYS A 50 -13.508 -2.011 11.900 1.00 75.04 C ATOM 775 NZ LYS A 50 -14.869 -2.368 11.409 1.00 4.51 N ATOM 0 H LYS A 50 -11.185 -4.920 7.394 1.00 21.20 H new ATOM 0 HA LYS A 50 -9.875 -4.270 9.796 1.00 12.14 H new ATOM 0 HB2 LYS A 50 -12.780 -4.153 9.899 1.00 72.42 H new ATOM 0 HB3 LYS A 50 -12.201 -5.479 10.888 1.00 72.42 H new ATOM 0 HG2 LYS A 50 -10.757 -3.968 12.157 1.00 11.22 H new ATOM 0 HG3 LYS A 50 -11.166 -2.630 11.102 1.00 11.22 H new ATOM 0 HD2 LYS A 50 -13.425 -4.087 12.443 1.00 50.24 H new ATOM 0 HD3 LYS A 50 -12.425 -3.047 13.438 1.00 50.24 H new ATOM 0 HE2 LYS A 50 -13.592 -1.272 12.697 1.00 75.04 H new ATOM 0 HE3 LYS A 50 -12.941 -1.547 11.093 1.00 75.04 H new ATOM 0 HZ1 LYS A 50 -15.350 -1.512 11.066 1.00 4.51 H new ATOM 0 HZ2 LYS A 50 -14.789 -3.054 10.632 1.00 4.51 H new ATOM 0 HZ3 LYS A 50 -15.419 -2.787 12.186 1.00 4.51 H new ATOM 789 N ARG A 51 -11.538 -7.065 9.202 1.00 0.52 N ATOM 790 CA ARG A 51 -11.395 -8.512 9.097 1.00 0.43 C ATOM 791 C ARG A 51 -11.131 -8.929 7.653 1.00 15.43 C ATOM 792 O ARG A 51 -11.828 -9.784 7.105 1.00 4.12 O ATOM 793 CB ARG A 51 -12.652 -9.209 9.619 1.00 15.14 C ATOM 794 CG ARG A 51 -12.451 -10.686 9.918 1.00 43.45 C ATOM 795 CD ARG A 51 -12.056 -10.912 11.368 1.00 24.14 C ATOM 796 NE ARG A 51 -12.323 -12.281 11.801 1.00 20.02 N ATOM 797 CZ ARG A 51 -13.523 -12.714 12.170 1.00 74.01 C ATOM 798 NH1 ARG A 51 -14.562 -11.890 12.158 1.00 43.43 N ATOM 799 NH2 ARG A 51 -13.687 -13.974 12.551 1.00 32.42 N ATOM 0 H ARG A 51 -12.501 -6.732 9.154 1.00 0.52 H new ATOM 0 HA ARG A 51 -10.542 -8.813 9.705 1.00 0.43 H new ATOM 0 HB2 ARG A 51 -12.986 -8.706 10.526 1.00 15.14 H new ATOM 0 HB3 ARG A 51 -13.449 -9.101 8.883 1.00 15.14 H new ATOM 0 HG2 ARG A 51 -13.370 -11.231 9.701 1.00 43.45 H new ATOM 0 HG3 ARG A 51 -11.679 -11.089 9.262 1.00 43.45 H new ATOM 0 HD2 ARG A 51 -10.996 -10.692 11.493 1.00 24.14 H new ATOM 0 HD3 ARG A 51 -12.603 -10.217 12.005 1.00 24.14 H new ATOM 0 HE ARG A 51 -11.545 -12.941 11.821 1.00 20.02 H new ATOM 0 HH11 ARG A 51 -14.441 -10.921 11.865 1.00 43.43 H new ATOM 0 HH12 ARG A 51 -15.482 -12.226 12.442 1.00 43.43 H new ATOM 0 HH21 ARG A 51 -12.891 -14.612 12.561 1.00 32.42 H new ATOM 0 HH22 ARG A 51 -14.609 -14.305 12.834 1.00 32.42 H new ATOM 813 N THR A 52 -10.121 -8.318 7.041 1.00 34.12 N ATOM 814 CA THR A 52 -9.767 -8.624 5.661 1.00 22.01 C ATOM 815 C THR A 52 -8.350 -9.179 5.568 1.00 72.24 C ATOM 816 O THR A 52 -7.380 -8.485 5.870 1.00 41.43 O ATOM 817 CB THR A 52 -9.878 -7.378 4.763 1.00 1.50 C ATOM 818 OG1 THR A 52 -10.743 -6.411 5.371 1.00 64.33 O ATOM 819 CG2 THR A 52 -10.410 -7.748 3.387 1.00 54.30 C ATOM 0 H THR A 52 -9.534 -7.608 7.480 1.00 34.12 H new ATOM 0 HA THR A 52 -10.474 -9.377 5.313 1.00 22.01 H new ATOM 0 HB THR A 52 -8.882 -6.951 4.647 1.00 1.50 H new ATOM 0 HG1 THR A 52 -10.935 -5.695 4.730 1.00 64.33 H new ATOM 0 HG21 THR A 52 -10.480 -6.852 2.771 1.00 54.30 H new ATOM 0 HG22 THR A 52 -9.734 -8.461 2.915 1.00 54.30 H new ATOM 0 HG23 THR A 52 -11.398 -8.197 3.488 1.00 54.30 H new ATOM 827 N SER A 53 -8.238 -10.435 5.147 1.00 53.15 N ATOM 828 CA SER A 53 -6.939 -11.084 5.016 1.00 32.51 C ATOM 829 C SER A 53 -6.246 -10.659 3.725 1.00 33.01 C ATOM 830 O SER A 53 -6.781 -9.862 2.953 1.00 11.01 O ATOM 831 CB SER A 53 -7.101 -12.606 5.044 1.00 1.41 C ATOM 832 OG SER A 53 -8.295 -13.004 4.394 1.00 55.51 O ATOM 0 H SER A 53 -9.031 -11.023 4.891 1.00 53.15 H new ATOM 0 HA SER A 53 -6.320 -10.775 5.858 1.00 32.51 H new ATOM 0 HB2 SER A 53 -6.245 -13.075 4.558 1.00 1.41 H new ATOM 0 HB3 SER A 53 -7.112 -12.955 6.077 1.00 1.41 H new ATOM 0 HG SER A 53 -8.374 -13.980 4.424 1.00 55.51 H new ATOM 838 N LEU A 54 -5.053 -11.196 3.497 1.00 21.12 N ATOM 839 CA LEU A 54 -4.285 -10.873 2.300 1.00 64.22 C ATOM 840 C LEU A 54 -5.128 -11.065 1.043 1.00 11.05 C ATOM 841 O LEU A 54 -4.933 -10.377 0.042 1.00 14.42 O ATOM 842 CB LEU A 54 -3.030 -11.746 2.224 1.00 55.30 C ATOM 843 CG LEU A 54 -2.070 -11.442 1.074 1.00 51.05 C ATOM 844 CD1 LEU A 54 -1.520 -10.029 1.196 1.00 20.52 C ATOM 845 CD2 LEU A 54 -0.937 -12.457 1.043 1.00 43.12 C ATOM 0 H LEU A 54 -4.596 -11.857 4.125 1.00 21.12 H new ATOM 0 HA LEU A 54 -3.989 -9.826 2.360 1.00 64.22 H new ATOM 0 HB2 LEU A 54 -2.485 -11.646 3.162 1.00 55.30 H new ATOM 0 HB3 LEU A 54 -3.341 -12.788 2.146 1.00 55.30 H new ATOM 0 HG LEU A 54 -2.622 -11.515 0.137 1.00 51.05 H new ATOM 0 HD11 LEU A 54 -0.839 -9.831 0.369 1.00 20.52 H new ATOM 0 HD12 LEU A 54 -2.343 -9.315 1.167 1.00 20.52 H new ATOM 0 HD13 LEU A 54 -0.984 -9.927 2.140 1.00 20.52 H new ATOM 0 HD21 LEU A 54 -0.263 -12.225 0.218 1.00 43.12 H new ATOM 0 HD22 LEU A 54 -0.387 -12.417 1.983 1.00 43.12 H new ATOM 0 HD23 LEU A 54 -1.348 -13.457 0.906 1.00 43.12 H new ATOM 857 N ALA A 55 -6.067 -12.003 1.105 1.00 71.50 N ATOM 858 CA ALA A 55 -6.943 -12.283 -0.026 1.00 12.30 C ATOM 859 C ALA A 55 -7.653 -11.018 -0.496 1.00 14.33 C ATOM 860 O ALA A 55 -7.887 -10.832 -1.689 1.00 43.12 O ATOM 861 CB ALA A 55 -7.958 -13.354 0.345 1.00 55.42 C ATOM 0 H ALA A 55 -6.241 -12.582 1.927 1.00 71.50 H new ATOM 0 HA ALA A 55 -6.329 -12.650 -0.848 1.00 12.30 H new ATOM 0 HB1 ALA A 55 -8.606 -13.553 -0.509 1.00 55.42 H new ATOM 0 HB2 ALA A 55 -7.436 -14.269 0.625 1.00 55.42 H new ATOM 0 HB3 ALA A 55 -8.561 -13.009 1.185 1.00 55.42 H new ATOM 867 N GLY A 56 -7.996 -10.150 0.452 1.00 42.01 N ATOM 868 CA GLY A 56 -8.677 -8.914 0.115 1.00 50.24 C ATOM 869 C GLY A 56 -7.796 -7.962 -0.671 1.00 34.23 C ATOM 870 O GLY A 56 -8.234 -7.373 -1.658 1.00 55.31 O ATOM 0 H GLY A 56 -7.814 -10.281 1.447 1.00 42.01 H new ATOM 0 HA2 GLY A 56 -9.570 -9.142 -0.467 1.00 50.24 H new ATOM 0 HA3 GLY A 56 -9.009 -8.425 1.030 1.00 50.24 H new ATOM 874 N MET A 57 -6.552 -7.811 -0.230 1.00 43.54 N ATOM 875 CA MET A 57 -5.608 -6.923 -0.899 1.00 43.14 C ATOM 876 C MET A 57 -5.158 -7.513 -2.232 1.00 42.33 C ATOM 877 O MET A 57 -5.162 -6.831 -3.258 1.00 32.23 O ATOM 878 CB MET A 57 -4.393 -6.668 -0.005 1.00 62.11 C ATOM 879 CG MET A 57 -4.737 -5.982 1.307 1.00 71.11 C ATOM 880 SD MET A 57 -4.518 -4.194 1.234 1.00 4.13 S ATOM 881 CE MET A 57 -5.868 -3.731 0.153 1.00 50.42 C ATOM 0 H MET A 57 -6.174 -8.291 0.587 1.00 43.54 H new ATOM 0 HA MET A 57 -6.113 -5.976 -1.092 1.00 43.14 H new ATOM 0 HB2 MET A 57 -3.904 -7.618 0.209 1.00 62.11 H new ATOM 0 HB3 MET A 57 -3.674 -6.055 -0.549 1.00 62.11 H new ATOM 0 HG2 MET A 57 -5.771 -6.207 1.570 1.00 71.11 H new ATOM 0 HG3 MET A 57 -4.110 -6.389 2.101 1.00 71.11 H new ATOM 0 HE1 MET A 57 -6.326 -2.811 0.517 1.00 50.42 H new ATOM 0 HE2 MET A 57 -5.488 -3.573 -0.856 1.00 50.42 H new ATOM 0 HE3 MET A 57 -6.613 -4.527 0.140 1.00 50.42 H new ATOM 891 N LYS A 58 -4.769 -8.783 -2.211 1.00 34.20 N ATOM 892 CA LYS A 58 -4.317 -9.466 -3.417 1.00 52.24 C ATOM 893 C LYS A 58 -5.385 -9.411 -4.506 1.00 25.42 C ATOM 894 O LYS A 58 -5.072 -9.410 -5.697 1.00 12.43 O ATOM 895 CB LYS A 58 -3.968 -10.922 -3.103 1.00 63.34 C ATOM 896 CG LYS A 58 -2.758 -11.435 -3.865 1.00 23.11 C ATOM 897 CD LYS A 58 -2.370 -12.835 -3.419 1.00 10.15 C ATOM 898 CE LYS A 58 -1.923 -12.853 -1.965 1.00 12.43 C ATOM 899 NZ LYS A 58 -0.973 -13.966 -1.690 1.00 35.12 N ATOM 0 H LYS A 58 -4.758 -9.361 -1.371 1.00 34.20 H new ATOM 0 HA LYS A 58 -3.425 -8.956 -3.781 1.00 52.24 H new ATOM 0 HB2 LYS A 58 -3.782 -11.020 -2.033 1.00 63.34 H new ATOM 0 HB3 LYS A 58 -4.827 -11.551 -3.336 1.00 63.34 H new ATOM 0 HG2 LYS A 58 -2.975 -11.440 -4.933 1.00 23.11 H new ATOM 0 HG3 LYS A 58 -1.917 -10.758 -3.713 1.00 23.11 H new ATOM 0 HD2 LYS A 58 -3.218 -13.507 -3.548 1.00 10.15 H new ATOM 0 HD3 LYS A 58 -1.566 -13.210 -4.053 1.00 10.15 H new ATOM 0 HE2 LYS A 58 -1.450 -11.902 -1.719 1.00 12.43 H new ATOM 0 HE3 LYS A 58 -2.795 -12.952 -1.318 1.00 12.43 H new ATOM 0 HZ1 LYS A 58 -1.342 -14.554 -0.916 1.00 35.12 H new ATOM 0 HZ2 LYS A 58 -0.863 -14.548 -2.545 1.00 35.12 H new ATOM 0 HZ3 LYS A 58 -0.049 -13.574 -1.416 1.00 35.12 H new ATOM 913 N LYS A 59 -6.646 -9.366 -4.090 1.00 4.23 N ATOM 914 CA LYS A 59 -7.760 -9.308 -5.028 1.00 61.33 C ATOM 915 C LYS A 59 -7.668 -8.064 -5.906 1.00 71.43 C ATOM 916 O LYS A 59 -8.083 -8.078 -7.066 1.00 31.41 O ATOM 917 CB LYS A 59 -9.091 -9.315 -4.273 1.00 22.22 C ATOM 918 CG LYS A 59 -10.035 -10.420 -4.714 1.00 62.20 C ATOM 919 CD LYS A 59 -10.906 -10.901 -3.566 1.00 13.33 C ATOM 920 CE LYS A 59 -10.574 -12.332 -3.175 1.00 24.43 C ATOM 921 NZ LYS A 59 -11.334 -13.321 -3.988 1.00 54.34 N ATOM 0 H LYS A 59 -6.922 -9.369 -3.108 1.00 4.23 H new ATOM 0 HA LYS A 59 -7.708 -10.188 -5.669 1.00 61.33 H new ATOM 0 HB2 LYS A 59 -8.893 -9.422 -3.206 1.00 22.22 H new ATOM 0 HB3 LYS A 59 -9.583 -8.352 -4.411 1.00 22.22 H new ATOM 0 HG2 LYS A 59 -10.667 -10.058 -5.524 1.00 62.20 H new ATOM 0 HG3 LYS A 59 -9.458 -11.256 -5.109 1.00 62.20 H new ATOM 0 HD2 LYS A 59 -10.769 -10.247 -2.705 1.00 13.33 H new ATOM 0 HD3 LYS A 59 -11.956 -10.835 -3.852 1.00 13.33 H new ATOM 0 HE2 LYS A 59 -9.505 -12.504 -3.301 1.00 24.43 H new ATOM 0 HE3 LYS A 59 -10.799 -12.481 -2.119 1.00 24.43 H new ATOM 0 HZ1 LYS A 59 -11.079 -14.284 -3.690 1.00 54.34 H new ATOM 0 HZ2 LYS A 59 -12.354 -13.174 -3.849 1.00 54.34 H new ATOM 0 HZ3 LYS A 59 -11.100 -13.196 -4.994 1.00 54.34 H new ATOM 935 N LEU A 60 -7.121 -6.991 -5.347 1.00 52.53 N ATOM 936 CA LEU A 60 -6.973 -5.738 -6.080 1.00 53.13 C ATOM 937 C LEU A 60 -5.757 -5.785 -7.000 1.00 33.32 C ATOM 938 O LEU A 60 -5.795 -5.277 -8.121 1.00 24.31 O ATOM 939 CB LEU A 60 -6.845 -4.566 -5.106 1.00 5.04 C ATOM 940 CG LEU A 60 -8.141 -4.097 -4.445 1.00 32.14 C ATOM 941 CD1 LEU A 60 -8.451 -4.942 -3.218 1.00 40.24 C ATOM 942 CD2 LEU A 60 -8.047 -2.625 -4.071 1.00 32.15 C ATOM 0 H LEU A 60 -6.772 -6.963 -4.389 1.00 52.53 H new ATOM 0 HA LEU A 60 -7.863 -5.597 -6.693 1.00 53.13 H new ATOM 0 HB2 LEU A 60 -6.142 -4.847 -4.322 1.00 5.04 H new ATOM 0 HB3 LEU A 60 -6.407 -3.722 -5.640 1.00 5.04 H new ATOM 0 HG LEU A 60 -8.955 -4.218 -5.160 1.00 32.14 H new ATOM 0 HD11 LEU A 60 -9.377 -4.593 -2.761 1.00 40.24 H new ATOM 0 HD12 LEU A 60 -8.562 -5.985 -3.513 1.00 40.24 H new ATOM 0 HD13 LEU A 60 -7.636 -4.853 -2.500 1.00 40.24 H new ATOM 0 HD21 LEU A 60 -8.979 -2.309 -3.602 1.00 32.15 H new ATOM 0 HD22 LEU A 60 -7.222 -2.479 -3.374 1.00 32.15 H new ATOM 0 HD23 LEU A 60 -7.873 -2.032 -4.969 1.00 32.15 H new ATOM 954 N ILE A 61 -4.682 -6.400 -6.519 1.00 1.01 N ATOM 955 CA ILE A 61 -3.456 -6.516 -7.299 1.00 73.51 C ATOM 956 C ILE A 61 -2.822 -7.892 -7.124 1.00 3.12 C ATOM 957 O ILE A 61 -1.836 -8.061 -6.405 1.00 74.52 O ATOM 958 CB ILE A 61 -2.432 -5.437 -6.903 1.00 0.31 C ATOM 959 CG1 ILE A 61 -3.038 -4.042 -7.071 1.00 43.25 C ATOM 960 CG2 ILE A 61 -1.167 -5.575 -7.737 1.00 31.10 C ATOM 961 CD1 ILE A 61 -3.615 -3.475 -5.793 1.00 61.22 C ATOM 0 H ILE A 61 -4.635 -6.826 -5.593 1.00 1.01 H new ATOM 0 HA ILE A 61 -3.732 -6.376 -8.344 1.00 73.51 H new ATOM 0 HB ILE A 61 -2.169 -5.575 -5.854 1.00 0.31 H new ATOM 0 HG12 ILE A 61 -2.271 -3.364 -7.445 1.00 43.25 H new ATOM 0 HG13 ILE A 61 -3.822 -4.084 -7.827 1.00 43.25 H new ATOM 0 HG21 ILE A 61 -0.453 -4.805 -7.445 1.00 31.10 H new ATOM 0 HG22 ILE A 61 -0.728 -6.559 -7.572 1.00 31.10 H new ATOM 0 HG23 ILE A 61 -1.413 -5.460 -8.793 1.00 31.10 H new ATOM 0 HD11 ILE A 61 -4.027 -2.485 -5.988 1.00 61.22 H new ATOM 0 HD12 ILE A 61 -4.405 -4.131 -5.428 1.00 61.22 H new ATOM 0 HD13 ILE A 61 -2.830 -3.400 -5.041 1.00 61.22 H new ATOM 973 N PRO A 62 -3.397 -8.899 -7.797 1.00 72.21 N ATOM 974 CA PRO A 62 -2.903 -10.278 -7.734 1.00 11.11 C ATOM 975 C PRO A 62 -1.560 -10.445 -8.437 1.00 33.21 C ATOM 976 O PRO A 62 -1.493 -10.493 -9.664 1.00 61.23 O ATOM 977 CB PRO A 62 -3.989 -11.077 -8.458 1.00 70.41 C ATOM 978 CG PRO A 62 -4.632 -10.097 -9.377 1.00 13.21 C ATOM 979 CD PRO A 62 -4.574 -8.770 -8.672 1.00 52.44 C ATOM 0 HA PRO A 62 -2.729 -10.602 -6.708 1.00 11.11 H new ATOM 0 HB2 PRO A 62 -3.563 -11.915 -9.009 1.00 70.41 H new ATOM 0 HB3 PRO A 62 -4.711 -11.492 -7.754 1.00 70.41 H new ATOM 0 HG2 PRO A 62 -4.108 -10.055 -10.332 1.00 13.21 H new ATOM 0 HG3 PRO A 62 -5.662 -10.381 -9.591 1.00 13.21 H new ATOM 0 HD2 PRO A 62 -4.463 -7.946 -9.376 1.00 52.44 H new ATOM 0 HD3 PRO A 62 -5.482 -8.579 -8.099 1.00 52.44 H new ATOM 987 N GLY A 63 -0.492 -10.534 -7.650 1.00 32.12 N ATOM 988 CA GLY A 63 0.835 -10.695 -8.215 1.00 75.52 C ATOM 989 C GLY A 63 1.823 -9.682 -7.673 1.00 52.25 C ATOM 990 O GLY A 63 2.711 -9.225 -8.393 1.00 15.22 O ATOM 0 H GLY A 63 -0.522 -10.497 -6.631 1.00 32.12 H new ATOM 0 HA2 GLY A 63 1.197 -11.701 -8.002 1.00 75.52 H new ATOM 0 HA3 GLY A 63 0.779 -10.599 -9.299 1.00 75.52 H new ATOM 994 N ALA A 64 1.668 -9.328 -6.402 1.00 22.12 N ATOM 995 CA ALA A 64 2.555 -8.362 -5.764 1.00 75.43 C ATOM 996 C ALA A 64 3.052 -8.879 -4.418 1.00 52.24 C ATOM 997 O ALA A 64 2.543 -9.872 -3.897 1.00 2.55 O ATOM 998 CB ALA A 64 1.844 -7.028 -5.590 1.00 72.40 C ATOM 0 H ALA A 64 0.937 -9.695 -5.793 1.00 22.12 H new ATOM 0 HA ALA A 64 3.421 -8.218 -6.410 1.00 75.43 H new ATOM 0 HB1 ALA A 64 2.518 -6.316 -5.113 1.00 72.40 H new ATOM 0 HB2 ALA A 64 1.544 -6.646 -6.566 1.00 72.40 H new ATOM 0 HB3 ALA A 64 0.960 -7.165 -4.967 1.00 72.40 H new ATOM 1004 N HIS A 65 4.049 -8.200 -3.861 1.00 3.50 N ATOM 1005 CA HIS A 65 4.615 -8.590 -2.575 1.00 25.32 C ATOM 1006 C HIS A 65 3.964 -7.813 -1.435 1.00 54.44 C ATOM 1007 O HIS A 65 4.160 -6.605 -1.302 1.00 44.55 O ATOM 1008 CB HIS A 65 6.127 -8.358 -2.567 1.00 53.02 C ATOM 1009 CG HIS A 65 6.850 -9.156 -1.527 1.00 22.22 C ATOM 1010 ND1 HIS A 65 7.697 -10.201 -1.833 1.00 54.34 N ATOM 1011 CD2 HIS A 65 6.851 -9.057 -0.177 1.00 3.21 C ATOM 1012 CE1 HIS A 65 8.186 -10.710 -0.717 1.00 73.30 C ATOM 1013 NE2 HIS A 65 7.689 -10.034 0.303 1.00 52.33 N ATOM 0 H HIS A 65 4.482 -7.377 -4.280 1.00 3.50 H new ATOM 0 HA HIS A 65 4.417 -9.652 -2.427 1.00 25.32 H new ATOM 0 HB2 HIS A 65 6.530 -8.607 -3.549 1.00 53.02 H new ATOM 0 HB3 HIS A 65 6.323 -7.299 -2.401 1.00 53.02 H new ATOM 0 HD2 HIS A 65 6.296 -8.343 0.413 1.00 3.21 H new ATOM 0 HE1 HIS A 65 8.875 -11.539 -0.650 1.00 73.30 H new ATOM 0 HE2 HIS A 65 7.894 -10.209 1.287 1.00 52.33 H new ATOM 1021 N PHE A 66 3.186 -8.513 -0.616 1.00 63.02 N ATOM 1022 CA PHE A 66 2.504 -7.888 0.511 1.00 51.12 C ATOM 1023 C PHE A 66 3.103 -8.353 1.835 1.00 11.40 C ATOM 1024 O PHE A 66 3.746 -9.400 1.903 1.00 13.43 O ATOM 1025 CB PHE A 66 1.009 -8.212 0.473 1.00 70.14 C ATOM 1026 CG PHE A 66 0.188 -7.171 -0.233 1.00 73.21 C ATOM 1027 CD1 PHE A 66 0.151 -7.120 -1.617 1.00 71.02 C ATOM 1028 CD2 PHE A 66 -0.547 -6.244 0.488 1.00 51.44 C ATOM 1029 CE1 PHE A 66 -0.604 -6.164 -2.270 1.00 11.31 C ATOM 1030 CE2 PHE A 66 -1.304 -5.285 -0.159 1.00 72.44 C ATOM 1031 CZ PHE A 66 -1.332 -5.245 -1.540 1.00 2.42 C ATOM 0 H PHE A 66 3.012 -9.514 -0.712 1.00 63.02 H new ATOM 0 HA PHE A 66 2.637 -6.809 0.431 1.00 51.12 H new ATOM 0 HB2 PHE A 66 0.866 -9.173 -0.021 1.00 70.14 H new ATOM 0 HB3 PHE A 66 0.643 -8.321 1.494 1.00 70.14 H new ATOM 0 HD1 PHE A 66 0.719 -7.836 -2.193 1.00 71.02 H new ATOM 0 HD2 PHE A 66 -0.528 -6.271 1.568 1.00 51.44 H new ATOM 0 HE1 PHE A 66 -0.625 -6.136 -3.349 1.00 11.31 H new ATOM 0 HE2 PHE A 66 -1.873 -4.568 0.414 1.00 72.44 H new ATOM 0 HZ PHE A 66 -1.922 -4.496 -2.048 1.00 2.42 H new ATOM 1041 N GLU A 67 2.887 -7.565 2.884 1.00 31.21 N ATOM 1042 CA GLU A 67 3.407 -7.895 4.206 1.00 72.21 C ATOM 1043 C GLU A 67 2.498 -7.344 5.301 1.00 21.21 C ATOM 1044 O GLU A 67 2.384 -6.131 5.477 1.00 35.00 O ATOM 1045 CB GLU A 67 4.822 -7.340 4.375 1.00 3.40 C ATOM 1046 CG GLU A 67 5.672 -8.126 5.359 1.00 34.41 C ATOM 1047 CD GLU A 67 7.106 -8.286 4.894 1.00 31.50 C ATOM 1048 OE1 GLU A 67 7.726 -7.270 4.519 1.00 54.44 O ATOM 1049 OE2 GLU A 67 7.609 -9.430 4.906 1.00 13.20 O ATOM 0 H GLU A 67 2.356 -6.695 2.844 1.00 31.21 H new ATOM 0 HA GLU A 67 3.438 -8.981 4.296 1.00 72.21 H new ATOM 0 HB2 GLU A 67 5.318 -7.333 3.405 1.00 3.40 H new ATOM 0 HB3 GLU A 67 4.759 -6.304 4.709 1.00 3.40 H new ATOM 0 HG2 GLU A 67 5.662 -7.622 6.325 1.00 34.41 H new ATOM 0 HG3 GLU A 67 5.230 -9.111 5.508 1.00 34.41 H new ATOM 1056 N LYS A 68 1.853 -8.245 6.035 1.00 51.41 N ATOM 1057 CA LYS A 68 0.954 -7.851 7.114 1.00 64.32 C ATOM 1058 C LYS A 68 1.557 -8.190 8.474 1.00 55.42 C ATOM 1059 O LYS A 68 0.839 -8.322 9.465 1.00 33.32 O ATOM 1060 CB LYS A 68 -0.400 -8.547 6.956 1.00 3.45 C ATOM 1061 CG LYS A 68 -1.487 -7.970 7.847 1.00 25.24 C ATOM 1062 CD LYS A 68 -2.298 -9.066 8.518 1.00 63.44 C ATOM 1063 CE LYS A 68 -2.706 -8.674 9.929 1.00 14.50 C ATOM 1064 NZ LYS A 68 -3.710 -9.615 10.498 1.00 14.30 N ATOM 0 H LYS A 68 1.936 -9.253 5.902 1.00 51.41 H new ATOM 0 HA LYS A 68 0.809 -6.772 7.059 1.00 64.32 H new ATOM 0 HB2 LYS A 68 -0.718 -8.474 5.916 1.00 3.45 H new ATOM 0 HB3 LYS A 68 -0.283 -9.607 7.180 1.00 3.45 H new ATOM 0 HG2 LYS A 68 -1.035 -7.333 8.607 1.00 25.24 H new ATOM 0 HG3 LYS A 68 -2.148 -7.338 7.254 1.00 25.24 H new ATOM 0 HD2 LYS A 68 -3.189 -9.275 7.926 1.00 63.44 H new ATOM 0 HD3 LYS A 68 -1.713 -9.985 8.550 1.00 63.44 H new ATOM 0 HE2 LYS A 68 -1.824 -8.653 10.569 1.00 14.50 H new ATOM 0 HE3 LYS A 68 -3.118 -7.665 9.921 1.00 14.50 H new ATOM 0 HZ1 LYS A 68 -3.962 -9.313 11.461 1.00 14.30 H new ATOM 0 HZ2 LYS A 68 -4.562 -9.616 9.901 1.00 14.30 H new ATOM 0 HZ3 LYS A 68 -3.308 -10.574 10.530 1.00 14.30 H new ATOM 1078 N ARG A 69 2.878 -8.326 8.513 1.00 31.55 N ATOM 1079 CA ARG A 69 3.576 -8.649 9.752 1.00 12.22 C ATOM 1080 C ARG A 69 3.661 -7.427 10.662 1.00 0.20 C ATOM 1081 O ARG A 69 4.197 -7.500 11.768 1.00 64.03 O ATOM 1082 CB ARG A 69 4.981 -9.172 9.450 1.00 42.35 C ATOM 1083 CG ARG A 69 5.193 -10.620 9.858 1.00 62.31 C ATOM 1084 CD ARG A 69 6.661 -11.011 9.784 1.00 50.11 C ATOM 1085 NE ARG A 69 7.418 -10.514 10.930 1.00 41.34 N ATOM 1086 CZ ARG A 69 8.745 -10.520 10.992 1.00 31.03 C ATOM 1087 NH1 ARG A 69 9.457 -10.995 9.980 1.00 5.21 N ATOM 1088 NH2 ARG A 69 9.362 -10.050 12.069 1.00 33.11 N ATOM 0 H ARG A 69 3.487 -8.218 7.702 1.00 31.55 H new ATOM 0 HA ARG A 69 3.010 -9.426 10.267 1.00 12.22 H new ATOM 0 HB2 ARG A 69 5.175 -9.072 8.382 1.00 42.35 H new ATOM 0 HB3 ARG A 69 5.710 -8.548 9.966 1.00 42.35 H new ATOM 0 HG2 ARG A 69 4.826 -10.770 10.873 1.00 62.31 H new ATOM 0 HG3 ARG A 69 4.609 -11.271 9.208 1.00 62.31 H new ATOM 0 HD2 ARG A 69 6.745 -12.097 9.737 1.00 50.11 H new ATOM 0 HD3 ARG A 69 7.095 -10.618 8.865 1.00 50.11 H new ATOM 0 HE ARG A 69 6.900 -10.142 11.726 1.00 41.34 H new ATOM 0 HH11 ARG A 69 8.986 -11.357 9.151 1.00 5.21 H new ATOM 0 HH12 ARG A 69 10.476 -10.998 10.030 1.00 5.21 H new ATOM 0 HH21 ARG A 69 8.817 -9.684 12.850 1.00 33.11 H new ATOM 0 HH22 ARG A 69 10.381 -10.055 12.116 1.00 33.11 H new ATOM 1102 N ARG A 70 3.129 -6.305 10.188 1.00 2.34 N ATOM 1103 CA ARG A 70 3.147 -5.067 10.958 1.00 11.41 C ATOM 1104 C ARG A 70 4.566 -4.517 11.072 1.00 71.33 C ATOM 1105 O ARG A 70 4.980 -4.054 12.133 1.00 11.34 O ATOM 1106 CB ARG A 70 2.566 -5.300 12.354 1.00 72.42 C ATOM 1107 CG ARG A 70 2.160 -4.021 13.067 1.00 43.22 C ATOM 1108 CD ARG A 70 1.625 -4.306 14.462 1.00 44.25 C ATOM 1109 NE ARG A 70 2.700 -4.524 15.426 1.00 43.01 N ATOM 1110 CZ ARG A 70 2.516 -5.081 16.618 1.00 44.22 C ATOM 1111 NH1 ARG A 70 1.306 -5.474 16.990 1.00 41.11 N ATOM 1112 NH2 ARG A 70 3.545 -5.246 17.440 1.00 14.21 N ATOM 0 H ARG A 70 2.681 -6.228 9.275 1.00 2.34 H new ATOM 0 HA ARG A 70 2.533 -4.335 10.434 1.00 11.41 H new ATOM 0 HB2 ARG A 70 1.696 -5.952 12.272 1.00 72.42 H new ATOM 0 HB3 ARG A 70 3.302 -5.826 12.961 1.00 72.42 H new ATOM 0 HG2 ARG A 70 3.019 -3.353 13.135 1.00 43.22 H new ATOM 0 HG3 ARG A 70 1.399 -3.504 12.483 1.00 43.22 H new ATOM 0 HD2 ARG A 70 1.007 -3.471 14.791 1.00 44.25 H new ATOM 0 HD3 ARG A 70 0.982 -5.186 14.431 1.00 44.25 H new ATOM 0 HE ARG A 70 3.643 -4.233 15.170 1.00 43.01 H new ATOM 0 HH11 ARG A 70 0.513 -5.349 16.360 1.00 41.11 H new ATOM 0 HH12 ARG A 70 1.168 -5.901 17.906 1.00 41.11 H new ATOM 0 HH21 ARG A 70 4.477 -4.945 17.157 1.00 14.21 H new ATOM 0 HH22 ARG A 70 3.403 -5.674 18.355 1.00 14.21 H new ATOM 1126 N GLY A 71 5.307 -4.574 9.969 1.00 2.22 N ATOM 1127 CA GLY A 71 6.672 -4.080 9.967 1.00 54.34 C ATOM 1128 C GLY A 71 6.758 -2.617 9.580 1.00 53.44 C ATOM 1129 O GLY A 71 7.849 -2.079 9.391 1.00 5.11 O ATOM 0 H GLY A 71 4.987 -4.953 9.078 1.00 2.22 H new ATOM 0 HA2 GLY A 71 7.106 -4.217 10.957 1.00 54.34 H new ATOM 0 HA3 GLY A 71 7.268 -4.672 9.273 1.00 54.34 H new ATOM 1133 N THR A 72 5.603 -1.969 9.459 1.00 71.03 N ATOM 1134 CA THR A 72 5.552 -0.560 9.089 1.00 74.33 C ATOM 1135 C THR A 72 4.373 0.141 9.755 1.00 63.31 C ATOM 1136 O THR A 72 3.932 1.197 9.303 1.00 70.33 O ATOM 1137 CB THR A 72 5.443 -0.384 7.562 1.00 10.03 C ATOM 1138 OG1 THR A 72 4.584 -1.389 7.013 1.00 71.21 O ATOM 1139 CG2 THR A 72 6.814 -0.469 6.909 1.00 41.12 C ATOM 0 H THR A 72 4.690 -2.398 9.612 1.00 71.03 H new ATOM 0 HA THR A 72 6.482 -0.109 9.434 1.00 74.33 H new ATOM 0 HB THR A 72 5.023 0.601 7.361 1.00 10.03 H new ATOM 0 HG1 THR A 72 5.116 -2.023 6.488 1.00 71.21 H new ATOM 0 HG21 THR A 72 6.712 -0.342 5.831 1.00 41.12 H new ATOM 0 HG22 THR A 72 7.456 0.316 7.308 1.00 41.12 H new ATOM 0 HG23 THR A 72 7.257 -1.442 7.119 1.00 41.12 H new ATOM 1147 N GLN A 73 3.869 -0.453 10.832 1.00 62.32 N ATOM 1148 CA GLN A 73 2.741 0.116 11.560 1.00 63.41 C ATOM 1149 C GLN A 73 3.223 1.031 12.681 1.00 71.12 C ATOM 1150 O GLN A 73 3.335 0.613 13.832 1.00 30.33 O ATOM 1151 CB GLN A 73 1.865 -0.998 12.136 1.00 52.13 C ATOM 1152 CG GLN A 73 0.502 -0.517 12.607 1.00 73.23 C ATOM 1153 CD GLN A 73 -0.207 0.333 11.571 1.00 0.20 C ATOM 1154 OE1 GLN A 73 -0.023 0.148 10.368 1.00 51.14 O ATOM 1155 NE2 GLN A 73 -1.023 1.273 12.034 1.00 34.41 N ATOM 0 H GLN A 73 4.224 -1.327 11.219 1.00 62.32 H new ATOM 0 HA GLN A 73 2.151 0.708 10.861 1.00 63.41 H new ATOM 0 HB2 GLN A 73 1.727 -1.769 11.378 1.00 52.13 H new ATOM 0 HB3 GLN A 73 2.386 -1.463 12.973 1.00 52.13 H new ATOM 0 HG2 GLN A 73 -0.119 -1.379 12.851 1.00 73.23 H new ATOM 0 HG3 GLN A 73 0.621 0.059 13.524 1.00 73.23 H new ATOM 0 HE21 GLN A 73 -1.146 1.392 13.040 1.00 34.41 H new ATOM 0 HE22 GLN A 73 -1.527 1.876 11.384 1.00 34.41 H new ATOM 1164 N GLY A 74 3.507 2.283 12.335 1.00 10.11 N ATOM 1165 CA GLY A 74 3.974 3.238 13.323 1.00 32.34 C ATOM 1166 C GLY A 74 4.857 4.312 12.720 1.00 23.41 C ATOM 1167 O GLY A 74 4.379 5.180 11.991 1.00 61.42 O ATOM 0 H GLY A 74 3.422 2.653 11.388 1.00 10.11 H new ATOM 0 HA2 GLY A 74 3.116 3.706 13.805 1.00 32.34 H new ATOM 0 HA3 GLY A 74 4.528 2.711 14.100 1.00 32.34 H new ATOM 1171 N GLU A 75 6.150 4.254 13.026 1.00 34.43 N ATOM 1172 CA GLU A 75 7.101 5.231 12.510 1.00 12.14 C ATOM 1173 C GLU A 75 7.081 5.257 10.985 1.00 71.23 C ATOM 1174 O GLU A 75 7.396 6.273 10.366 1.00 11.14 O ATOM 1175 CB GLU A 75 8.513 4.914 13.008 1.00 74.44 C ATOM 1176 CG GLU A 75 9.345 6.149 13.305 1.00 44.22 C ATOM 1177 CD GLU A 75 10.755 5.810 13.750 1.00 73.41 C ATOM 1178 OE1 GLU A 75 11.532 5.296 12.919 1.00 45.20 O ATOM 1179 OE2 GLU A 75 11.079 6.058 14.930 1.00 24.01 O ATOM 0 H GLU A 75 6.562 3.541 13.628 1.00 34.43 H new ATOM 0 HA GLU A 75 6.807 6.215 12.876 1.00 12.14 H new ATOM 0 HB2 GLU A 75 8.443 4.308 13.911 1.00 74.44 H new ATOM 0 HB3 GLU A 75 9.027 4.312 12.259 1.00 74.44 H new ATOM 0 HG2 GLU A 75 9.390 6.775 12.414 1.00 44.22 H new ATOM 0 HG3 GLU A 75 8.854 6.735 14.082 1.00 44.22 H new ATOM 1186 N ALA A 76 6.709 4.131 10.385 1.00 72.14 N ATOM 1187 CA ALA A 76 6.646 4.024 8.932 1.00 23.13 C ATOM 1188 C ALA A 76 5.606 4.978 8.356 1.00 53.01 C ATOM 1189 O ALA A 76 5.595 5.247 7.155 1.00 55.04 O ATOM 1190 CB ALA A 76 6.337 2.592 8.521 1.00 21.14 C ATOM 0 H ALA A 76 6.447 3.280 10.882 1.00 72.14 H new ATOM 0 HA ALA A 76 7.620 4.304 8.529 1.00 23.13 H new ATOM 0 HB1 ALA A 76 6.293 2.527 7.434 1.00 21.14 H new ATOM 0 HB2 ALA A 76 7.119 1.930 8.893 1.00 21.14 H new ATOM 0 HB3 ALA A 76 5.377 2.292 8.942 1.00 21.14 H new ATOM 1196 N ARG A 77 4.733 5.486 9.220 1.00 74.04 N ATOM 1197 CA ARG A 77 3.687 6.409 8.795 1.00 33.32 C ATOM 1198 C ARG A 77 4.279 7.759 8.403 1.00 4.10 C ATOM 1199 O ARG A 77 3.623 8.570 7.750 1.00 63.21 O ATOM 1200 CB ARG A 77 2.658 6.596 9.912 1.00 4.11 C ATOM 1201 CG ARG A 77 1.251 6.865 9.405 1.00 32.33 C ATOM 1202 CD ARG A 77 0.221 6.715 10.514 1.00 23.05 C ATOM 1203 NE ARG A 77 -0.517 5.459 10.410 1.00 1.22 N ATOM 1204 CZ ARG A 77 -1.698 5.252 10.981 1.00 74.33 C ATOM 1205 NH1 ARG A 77 -2.273 6.212 11.692 1.00 42.24 N ATOM 1206 NH2 ARG A 77 -2.308 4.082 10.840 1.00 31.51 N ATOM 0 H ARG A 77 4.729 5.274 10.218 1.00 74.04 H new ATOM 0 HA ARG A 77 3.193 5.982 7.922 1.00 33.32 H new ATOM 0 HB2 ARG A 77 2.646 5.703 10.536 1.00 4.11 H new ATOM 0 HB3 ARG A 77 2.971 7.425 10.548 1.00 4.11 H new ATOM 0 HG2 ARG A 77 1.198 7.872 8.992 1.00 32.33 H new ATOM 0 HG3 ARG A 77 1.017 6.175 8.594 1.00 32.33 H new ATOM 0 HD2 ARG A 77 0.721 6.763 11.482 1.00 23.05 H new ATOM 0 HD3 ARG A 77 -0.478 7.550 10.475 1.00 23.05 H new ATOM 0 HE ARG A 77 -0.103 4.700 9.869 1.00 1.22 H new ATOM 0 HH11 ARG A 77 -1.808 7.113 11.802 1.00 42.24 H new ATOM 0 HH12 ARG A 77 -3.180 6.049 12.129 1.00 42.24 H new ATOM 0 HH21 ARG A 77 -1.870 3.341 10.293 1.00 31.51 H new ATOM 0 HH22 ARG A 77 -3.215 3.924 11.279 1.00 31.51 H new ATOM 1220 N ALA A 78 5.524 7.993 8.807 1.00 53.10 N ATOM 1221 CA ALA A 78 6.205 9.244 8.497 1.00 60.33 C ATOM 1222 C ALA A 78 7.175 9.067 7.333 1.00 20.54 C ATOM 1223 O ALA A 78 6.932 9.556 6.230 1.00 3.01 O ATOM 1224 CB ALA A 78 6.939 9.763 9.724 1.00 40.40 C ATOM 0 H ALA A 78 6.081 7.333 9.349 1.00 53.10 H new ATOM 0 HA ALA A 78 5.453 9.975 8.201 1.00 60.33 H new ATOM 0 HB1 ALA A 78 7.443 10.698 9.478 1.00 40.40 H new ATOM 0 HB2 ALA A 78 6.225 9.937 10.529 1.00 40.40 H new ATOM 0 HB3 ALA A 78 7.676 9.027 10.046 1.00 40.40 H new ATOM 1230 N TYR A 79 8.274 8.365 7.587 1.00 31.24 N ATOM 1231 CA TYR A 79 9.282 8.126 6.562 1.00 43.03 C ATOM 1232 C TYR A 79 8.656 7.509 5.315 1.00 31.31 C ATOM 1233 O TYR A 79 8.865 7.986 4.200 1.00 0.40 O ATOM 1234 CB TYR A 79 10.381 7.209 7.101 1.00 4.21 C ATOM 1235 CG TYR A 79 11.150 6.484 6.020 1.00 40.14 C ATOM 1236 CD1 TYR A 79 12.090 7.150 5.243 1.00 4.00 C ATOM 1237 CD2 TYR A 79 10.935 5.134 5.773 1.00 23.35 C ATOM 1238 CE1 TYR A 79 12.795 6.492 4.253 1.00 34.03 C ATOM 1239 CE2 TYR A 79 11.636 4.467 4.787 1.00 51.21 C ATOM 1240 CZ TYR A 79 12.564 5.151 4.029 1.00 22.44 C ATOM 1241 OH TYR A 79 13.263 4.491 3.045 1.00 60.43 O ATOM 0 H TYR A 79 8.489 7.952 8.494 1.00 31.24 H new ATOM 0 HA TYR A 79 9.720 9.086 6.290 1.00 43.03 H new ATOM 0 HB2 TYR A 79 11.077 7.801 7.695 1.00 4.21 H new ATOM 0 HB3 TYR A 79 9.934 6.475 7.771 1.00 4.21 H new ATOM 0 HD1 TYR A 79 12.273 8.200 5.416 1.00 4.00 H new ATOM 0 HD2 TYR A 79 10.207 4.596 6.362 1.00 23.35 H new ATOM 0 HE1 TYR A 79 13.522 7.025 3.658 1.00 34.03 H new ATOM 0 HE2 TYR A 79 11.459 3.416 4.611 1.00 51.21 H new ATOM 0 HH TYR A 79 12.982 3.552 3.018 1.00 60.43 H new ATOM 1251 N SER A 80 7.886 6.444 5.513 1.00 34.33 N ATOM 1252 CA SER A 80 7.230 5.758 4.406 1.00 21.30 C ATOM 1253 C SER A 80 8.259 5.167 3.447 1.00 24.03 C ATOM 1254 O SER A 80 8.614 3.993 3.547 1.00 24.10 O ATOM 1255 CB SER A 80 6.310 6.722 3.654 1.00 22.51 C ATOM 1256 OG SER A 80 5.198 7.091 4.451 1.00 40.02 O ATOM 0 H SER A 80 7.701 6.037 6.430 1.00 34.33 H new ATOM 0 HA SER A 80 6.633 4.944 4.818 1.00 21.30 H new ATOM 0 HB2 SER A 80 6.868 7.613 3.368 1.00 22.51 H new ATOM 0 HB3 SER A 80 5.962 6.254 2.733 1.00 22.51 H new ATOM 0 HG SER A 80 5.228 6.603 5.300 1.00 40.02 H new ATOM 1262 N MET A 81 8.734 5.990 2.518 1.00 5.35 N ATOM 1263 CA MET A 81 9.724 5.550 1.542 1.00 41.52 C ATOM 1264 C MET A 81 10.863 6.559 1.430 1.00 60.01 C ATOM 1265 O MET A 81 10.973 7.479 2.241 1.00 44.05 O ATOM 1266 CB MET A 81 9.068 5.350 0.174 1.00 3.32 C ATOM 1267 CG MET A 81 7.798 4.518 0.226 1.00 74.35 C ATOM 1268 SD MET A 81 6.479 5.200 -0.797 1.00 75.43 S ATOM 1269 CE MET A 81 5.109 5.176 0.356 1.00 32.15 C ATOM 0 H MET A 81 8.450 6.965 2.421 1.00 5.35 H new ATOM 0 HA MET A 81 10.136 4.600 1.882 1.00 41.52 H new ATOM 0 HB2 MET A 81 8.837 6.325 -0.255 1.00 3.32 H new ATOM 0 HB3 MET A 81 9.781 4.868 -0.495 1.00 3.32 H new ATOM 0 HG2 MET A 81 8.020 3.503 -0.103 1.00 74.35 H new ATOM 0 HG3 MET A 81 7.454 4.451 1.258 1.00 74.35 H new ATOM 0 HE1 MET A 81 4.174 5.060 -0.192 1.00 32.15 H new ATOM 0 HE2 MET A 81 5.230 4.342 1.047 1.00 32.15 H new ATOM 0 HE3 MET A 81 5.088 6.111 0.916 1.00 32.15 H new ATOM 1279 N LYS A 82 11.709 6.380 0.421 1.00 53.13 N ATOM 1280 CA LYS A 82 12.839 7.274 0.201 1.00 2.55 C ATOM 1281 C LYS A 82 12.441 8.447 -0.689 1.00 73.23 C ATOM 1282 O LYS A 82 12.318 8.300 -1.905 1.00 32.12 O ATOM 1283 CB LYS A 82 14.004 6.511 -0.433 1.00 2.23 C ATOM 1284 CG LYS A 82 15.357 6.864 0.160 1.00 2.33 C ATOM 1285 CD LYS A 82 16.310 5.682 0.118 1.00 22.54 C ATOM 1286 CE LYS A 82 17.741 6.127 -0.142 1.00 11.54 C ATOM 1287 NZ LYS A 82 18.728 5.259 0.557 1.00 23.03 N ATOM 0 H LYS A 82 11.633 5.623 -0.258 1.00 53.13 H new ATOM 0 HA LYS A 82 13.153 7.666 1.168 1.00 2.55 H new ATOM 0 HB2 LYS A 82 13.833 5.441 -0.315 1.00 2.23 H new ATOM 0 HB3 LYS A 82 14.021 6.715 -1.504 1.00 2.23 H new ATOM 0 HG2 LYS A 82 15.789 7.700 -0.390 1.00 2.33 H new ATOM 0 HG3 LYS A 82 15.229 7.192 1.191 1.00 2.33 H new ATOM 0 HD2 LYS A 82 16.262 5.141 1.063 1.00 22.54 H new ATOM 0 HD3 LYS A 82 15.996 4.988 -0.662 1.00 22.54 H new ATOM 0 HE2 LYS A 82 17.937 6.110 -1.214 1.00 11.54 H new ATOM 0 HE3 LYS A 82 17.866 7.158 0.188 1.00 11.54 H new ATOM 0 HZ1 LYS A 82 19.691 5.595 0.354 1.00 23.03 H new ATOM 0 HZ2 LYS A 82 18.557 5.295 1.582 1.00 23.03 H new ATOM 0 HZ3 LYS A 82 18.626 4.279 0.223 1.00 23.03 H new ATOM 1301 N GLU A 83 12.242 9.609 -0.076 1.00 51.51 N ATOM 1302 CA GLU A 83 11.858 10.806 -0.815 1.00 43.44 C ATOM 1303 C GLU A 83 12.961 11.224 -1.784 1.00 54.14 C ATOM 1304 O GLU A 83 12.687 11.747 -2.865 1.00 32.40 O ATOM 1305 CB GLU A 83 11.552 11.953 0.150 1.00 32.15 C ATOM 1306 CG GLU A 83 10.150 11.898 0.735 1.00 42.32 C ATOM 1307 CD GLU A 83 9.695 13.236 1.284 1.00 54.21 C ATOM 1308 OE1 GLU A 83 10.547 14.137 1.433 1.00 52.14 O ATOM 1309 OE2 GLU A 83 8.487 13.383 1.565 1.00 32.41 O ATOM 0 H GLU A 83 12.340 9.747 0.930 1.00 51.51 H new ATOM 0 HA GLU A 83 10.961 10.575 -1.389 1.00 43.44 H new ATOM 0 HB2 GLU A 83 12.277 11.936 0.964 1.00 32.15 H new ATOM 0 HB3 GLU A 83 11.682 12.901 -0.372 1.00 32.15 H new ATOM 0 HG2 GLU A 83 9.452 11.569 -0.035 1.00 42.32 H new ATOM 0 HG3 GLU A 83 10.121 11.154 1.531 1.00 42.32 H new ATOM 1316 N ASP A 84 14.207 10.990 -1.389 1.00 42.42 N ATOM 1317 CA ASP A 84 15.352 11.341 -2.222 1.00 12.42 C ATOM 1318 C ASP A 84 15.396 10.476 -3.477 1.00 40.25 C ATOM 1319 O ASP A 84 15.759 10.946 -4.557 1.00 13.25 O ATOM 1320 CB ASP A 84 16.652 11.183 -1.432 1.00 31.30 C ATOM 1321 CG ASP A 84 17.881 11.283 -2.314 1.00 10.52 C ATOM 1322 OD1 ASP A 84 18.012 12.294 -3.035 1.00 11.20 O ATOM 1323 OD2 ASP A 84 18.712 10.351 -2.283 1.00 54.13 O ATOM 0 H ASP A 84 14.451 10.559 -0.497 1.00 42.42 H new ATOM 0 HA ASP A 84 15.245 12.383 -2.524 1.00 12.42 H new ATOM 0 HB2 ASP A 84 16.700 11.950 -0.659 1.00 31.30 H new ATOM 0 HB3 ASP A 84 16.650 10.219 -0.924 1.00 31.30 H new ATOM 1328 N THR A 85 15.025 9.208 -3.330 1.00 5.03 N ATOM 1329 CA THR A 85 15.025 8.276 -4.450 1.00 52.44 C ATOM 1330 C THR A 85 13.619 8.091 -5.011 1.00 3.42 C ATOM 1331 O THR A 85 13.387 7.228 -5.858 1.00 1.45 O ATOM 1332 CB THR A 85 15.586 6.902 -4.039 1.00 1.21 C ATOM 1333 OG1 THR A 85 15.985 6.928 -2.664 1.00 21.30 O ATOM 1334 CG2 THR A 85 16.773 6.520 -4.910 1.00 24.22 C ATOM 0 H THR A 85 14.720 8.803 -2.445 1.00 5.03 H new ATOM 0 HA THR A 85 15.667 8.706 -5.219 1.00 52.44 H new ATOM 0 HB THR A 85 14.802 6.158 -4.175 1.00 1.21 H new ATOM 0 HG1 THR A 85 16.783 7.489 -2.565 1.00 21.30 H new ATOM 0 HG21 THR A 85 17.152 5.546 -4.601 1.00 24.22 H new ATOM 0 HG22 THR A 85 16.459 6.473 -5.953 1.00 24.22 H new ATOM 0 HG23 THR A 85 17.559 7.267 -4.801 1.00 24.22 H new ATOM 1342 N ARG A 86 12.685 8.907 -4.534 1.00 0.32 N ATOM 1343 CA ARG A 86 11.302 8.833 -4.988 1.00 35.24 C ATOM 1344 C ARG A 86 11.142 9.487 -6.357 1.00 24.01 C ATOM 1345 O ARG A 86 11.859 10.431 -6.693 1.00 14.22 O ATOM 1346 CB ARG A 86 10.374 9.509 -3.977 1.00 33.14 C ATOM 1347 CG ARG A 86 9.141 8.687 -3.637 1.00 10.23 C ATOM 1348 CD ARG A 86 9.276 8.017 -2.278 1.00 75.35 C ATOM 1349 NE ARG A 86 9.943 6.721 -2.371 1.00 43.24 N ATOM 1350 CZ ARG A 86 9.409 5.660 -2.966 1.00 0.04 C ATOM 1351 NH1 ARG A 86 8.206 5.740 -3.517 1.00 10.40 N ATOM 1352 NH2 ARG A 86 10.079 4.515 -3.009 1.00 52.45 N ATOM 0 H ARG A 86 12.861 9.627 -3.833 1.00 0.32 H new ATOM 0 HA ARG A 86 11.031 7.781 -5.074 1.00 35.24 H new ATOM 0 HB2 ARG A 86 10.931 9.708 -3.062 1.00 33.14 H new ATOM 0 HB3 ARG A 86 10.059 10.474 -4.374 1.00 33.14 H new ATOM 0 HG2 ARG A 86 8.261 9.330 -3.641 1.00 10.23 H new ATOM 0 HG3 ARG A 86 8.985 7.928 -4.404 1.00 10.23 H new ATOM 0 HD2 ARG A 86 9.838 8.667 -1.608 1.00 75.35 H new ATOM 0 HD3 ARG A 86 8.287 7.885 -1.839 1.00 75.35 H new ATOM 0 HE ARG A 86 10.870 6.625 -1.956 1.00 43.24 H new ATOM 0 HH11 ARG A 86 7.688 6.618 -3.485 1.00 10.40 H new ATOM 0 HH12 ARG A 86 7.799 4.924 -3.973 1.00 10.40 H new ATOM 0 HH21 ARG A 86 11.004 4.449 -2.585 1.00 52.45 H new ATOM 0 HH22 ARG A 86 9.668 3.701 -3.466 1.00 52.45 H new ATOM 1366 N LEU A 87 10.200 8.979 -7.144 1.00 22.05 N ATOM 1367 CA LEU A 87 9.947 9.513 -8.477 1.00 50.12 C ATOM 1368 C LEU A 87 8.713 10.409 -8.480 1.00 12.34 C ATOM 1369 O LEU A 87 8.727 11.499 -9.052 1.00 33.35 O ATOM 1370 CB LEU A 87 9.764 8.372 -9.479 1.00 63.40 C ATOM 1371 CG LEU A 87 10.584 8.470 -10.766 1.00 51.51 C ATOM 1372 CD1 LEU A 87 10.100 7.452 -11.787 1.00 1.04 C ATOM 1373 CD2 LEU A 87 10.510 9.878 -11.339 1.00 11.54 C ATOM 0 H LEU A 87 9.599 8.198 -6.882 1.00 22.05 H new ATOM 0 HA LEU A 87 10.809 10.112 -8.770 1.00 50.12 H new ATOM 0 HB2 LEU A 87 10.016 7.435 -8.982 1.00 63.40 H new ATOM 0 HB3 LEU A 87 8.709 8.317 -9.748 1.00 63.40 H new ATOM 0 HG LEU A 87 11.625 8.249 -10.528 1.00 51.51 H new ATOM 0 HD11 LEU A 87 10.695 7.537 -12.696 1.00 1.04 H new ATOM 0 HD12 LEU A 87 10.205 6.447 -11.377 1.00 1.04 H new ATOM 0 HD13 LEU A 87 9.052 7.641 -12.021 1.00 1.04 H new ATOM 0 HD21 LEU A 87 11.099 9.930 -12.255 1.00 11.54 H new ATOM 0 HD22 LEU A 87 9.472 10.126 -11.561 1.00 11.54 H new ATOM 0 HD23 LEU A 87 10.906 10.588 -10.612 1.00 11.54 H new ATOM 1385 N GLU A 88 7.648 9.943 -7.834 1.00 51.34 N ATOM 1386 CA GLU A 88 6.406 10.704 -7.761 1.00 43.33 C ATOM 1387 C GLU A 88 5.740 10.529 -6.400 1.00 33.51 C ATOM 1388 O GLU A 88 6.198 9.746 -5.569 1.00 30.04 O ATOM 1389 CB GLU A 88 5.448 10.267 -8.871 1.00 31.31 C ATOM 1390 CG GLU A 88 4.796 11.427 -9.605 1.00 20.43 C ATOM 1391 CD GLU A 88 4.220 11.018 -10.946 1.00 53.25 C ATOM 1392 OE1 GLU A 88 4.830 10.159 -11.617 1.00 43.50 O ATOM 1393 OE2 GLU A 88 3.159 11.557 -11.326 1.00 61.30 O ATOM 0 H GLU A 88 7.621 9.043 -7.354 1.00 51.34 H new ATOM 0 HA GLU A 88 6.647 11.758 -7.894 1.00 43.33 H new ATOM 0 HB2 GLU A 88 5.993 9.654 -9.589 1.00 31.31 H new ATOM 0 HB3 GLU A 88 4.670 9.637 -8.440 1.00 31.31 H new ATOM 0 HG2 GLU A 88 4.003 11.845 -8.985 1.00 20.43 H new ATOM 0 HG3 GLU A 88 5.532 12.217 -9.755 1.00 20.43 H new ATOM 1400 N GLY A 89 4.654 11.264 -6.179 1.00 41.05 N ATOM 1401 CA GLY A 89 3.942 11.176 -4.918 1.00 50.01 C ATOM 1402 C GLY A 89 4.391 12.229 -3.924 1.00 61.31 C ATOM 1403 O GLY A 89 5.121 13.161 -4.262 1.00 21.21 O ATOM 0 H GLY A 89 4.255 11.919 -6.851 1.00 41.05 H new ATOM 0 HA2 GLY A 89 2.873 11.285 -5.100 1.00 50.01 H new ATOM 0 HA3 GLY A 89 4.093 10.186 -4.487 1.00 50.01 H new ATOM 1407 N PRO A 90 3.949 12.087 -2.666 1.00 13.02 N ATOM 1408 CA PRO A 90 3.079 10.982 -2.252 1.00 54.13 C ATOM 1409 C PRO A 90 1.675 11.100 -2.837 1.00 21.44 C ATOM 1410 O PRO A 90 1.344 12.092 -3.484 1.00 54.45 O ATOM 1411 CB PRO A 90 3.036 11.115 -0.728 1.00 2.40 C ATOM 1412 CG PRO A 90 3.320 12.554 -0.466 1.00 15.25 C ATOM 1413 CD PRO A 90 4.263 12.995 -1.550 1.00 24.10 C ATOM 0 HA PRO A 90 3.452 10.018 -2.598 1.00 54.13 H new ATOM 0 HB2 PRO A 90 2.063 10.825 -0.332 1.00 2.40 H new ATOM 0 HB3 PRO A 90 3.777 10.472 -0.253 1.00 2.40 H new ATOM 0 HG2 PRO A 90 2.403 13.142 -0.484 1.00 15.25 H new ATOM 0 HG3 PRO A 90 3.767 12.690 0.519 1.00 15.25 H new ATOM 0 HD2 PRO A 90 4.102 14.038 -1.823 1.00 24.10 H new ATOM 0 HD3 PRO A 90 5.304 12.904 -1.239 1.00 24.10 H new ATOM 1421 N TRP A 91 0.855 10.081 -2.603 1.00 42.31 N ATOM 1422 CA TRP A 91 -0.514 10.071 -3.107 1.00 4.44 C ATOM 1423 C TRP A 91 -1.459 9.425 -2.100 1.00 72.13 C ATOM 1424 O TRP A 91 -1.250 8.287 -1.683 1.00 32.45 O ATOM 1425 CB TRP A 91 -0.583 9.327 -4.441 1.00 44.10 C ATOM 1426 CG TRP A 91 -0.066 10.130 -5.596 1.00 63.23 C ATOM 1427 CD1 TRP A 91 -0.251 11.465 -5.815 1.00 11.02 C ATOM 1428 CD2 TRP A 91 0.720 9.647 -6.692 1.00 12.22 C ATOM 1429 NE1 TRP A 91 0.372 11.842 -6.980 1.00 73.33 N ATOM 1430 CE2 TRP A 91 0.975 10.745 -7.537 1.00 3.13 C ATOM 1431 CE3 TRP A 91 1.234 8.395 -7.040 1.00 51.43 C ATOM 1432 CZ2 TRP A 91 1.721 10.626 -8.707 1.00 34.03 C ATOM 1433 CZ3 TRP A 91 1.973 8.279 -8.202 1.00 21.21 C ATOM 1434 CH2 TRP A 91 2.212 9.389 -9.023 1.00 74.45 C ATOM 0 H TRP A 91 1.114 9.252 -2.068 1.00 42.31 H new ATOM 0 HA TRP A 91 -0.827 11.104 -3.260 1.00 4.44 H new ATOM 0 HB2 TRP A 91 -0.009 8.403 -4.364 1.00 44.10 H new ATOM 0 HB3 TRP A 91 -1.617 9.044 -4.638 1.00 44.10 H new ATOM 0 HD1 TRP A 91 -0.806 12.128 -5.167 1.00 11.02 H new ATOM 0 HE1 TRP A 91 0.384 12.785 -7.367 1.00 73.33 H new ATOM 0 HE3 TRP A 91 1.057 7.534 -6.412 1.00 51.43 H new ATOM 0 HZ2 TRP A 91 1.905 11.480 -9.342 1.00 34.03 H new ATOM 0 HZ3 TRP A 91 2.373 7.316 -8.482 1.00 21.21 H new ATOM 0 HH2 TRP A 91 2.796 9.265 -9.923 1.00 74.45 H new ATOM 1445 N GLU A 92 -2.499 10.158 -1.716 1.00 0.54 N ATOM 1446 CA GLU A 92 -3.476 9.655 -0.757 1.00 63.43 C ATOM 1447 C GLU A 92 -4.864 9.578 -1.385 1.00 74.11 C ATOM 1448 O GLU A 92 -5.291 10.493 -2.089 1.00 44.54 O ATOM 1449 CB GLU A 92 -3.514 10.549 0.484 1.00 63.22 C ATOM 1450 CG GLU A 92 -4.547 10.120 1.512 1.00 74.15 C ATOM 1451 CD GLU A 92 -5.568 11.204 1.800 1.00 25.05 C ATOM 1452 OE1 GLU A 92 -5.156 12.326 2.160 1.00 5.44 O ATOM 1453 OE2 GLU A 92 -6.778 10.929 1.666 1.00 14.22 O ATOM 0 H GLU A 92 -2.687 11.102 -2.054 1.00 0.54 H new ATOM 0 HA GLU A 92 -3.173 8.650 -0.462 1.00 63.43 H new ATOM 0 HB2 GLU A 92 -2.529 10.551 0.950 1.00 63.22 H new ATOM 0 HB3 GLU A 92 -3.723 11.574 0.177 1.00 63.22 H new ATOM 0 HG2 GLU A 92 -5.061 9.228 1.155 1.00 74.15 H new ATOM 0 HG3 GLU A 92 -4.041 9.847 2.438 1.00 74.15 H new ATOM 1460 N TYR A 93 -5.565 8.480 -1.125 1.00 63.51 N ATOM 1461 CA TYR A 93 -6.904 8.281 -1.667 1.00 22.24 C ATOM 1462 C TYR A 93 -7.807 7.592 -0.648 1.00 2.54 C ATOM 1463 O TYR A 93 -7.331 6.993 0.315 1.00 31.35 O ATOM 1464 CB TYR A 93 -6.840 7.452 -2.950 1.00 62.53 C ATOM 1465 CG TYR A 93 -6.202 8.181 -4.111 1.00 75.13 C ATOM 1466 CD1 TYR A 93 -6.945 9.045 -4.906 1.00 14.40 C ATOM 1467 CD2 TYR A 93 -4.858 8.005 -4.414 1.00 50.22 C ATOM 1468 CE1 TYR A 93 -6.368 9.714 -5.968 1.00 63.42 C ATOM 1469 CE2 TYR A 93 -4.272 8.670 -5.473 1.00 44.25 C ATOM 1470 CZ TYR A 93 -5.031 9.523 -6.248 1.00 5.14 C ATOM 1471 OH TYR A 93 -4.450 10.186 -7.305 1.00 14.35 O ATOM 0 H TYR A 93 -5.228 7.714 -0.542 1.00 63.51 H new ATOM 0 HA TYR A 93 -7.325 9.260 -1.896 1.00 22.24 H new ATOM 0 HB2 TYR A 93 -6.280 6.538 -2.754 1.00 62.53 H new ATOM 0 HB3 TYR A 93 -7.850 7.153 -3.230 1.00 62.53 H new ATOM 0 HD1 TYR A 93 -7.992 9.196 -4.690 1.00 14.40 H new ATOM 0 HD2 TYR A 93 -4.261 7.337 -3.811 1.00 50.22 H new ATOM 0 HE1 TYR A 93 -6.960 10.383 -6.575 1.00 63.42 H new ATOM 0 HE2 TYR A 93 -3.225 8.523 -5.694 1.00 44.25 H new ATOM 0 HH TYR A 93 -3.503 9.941 -7.364 1.00 14.35 H new ATOM 1481 N GLY A 94 -9.115 7.684 -0.869 1.00 21.43 N ATOM 1482 CA GLY A 94 -10.065 7.065 0.037 1.00 12.21 C ATOM 1483 C GLY A 94 -10.621 8.045 1.052 1.00 63.32 C ATOM 1484 O GLY A 94 -10.730 9.239 0.775 1.00 31.42 O ATOM 0 H GLY A 94 -9.533 8.176 -1.659 1.00 21.43 H new ATOM 0 HA2 GLY A 94 -10.886 6.638 -0.539 1.00 12.21 H new ATOM 0 HA3 GLY A 94 -9.580 6.241 0.560 1.00 12.21 H new ATOM 1488 N GLU A 95 -10.974 7.538 2.229 1.00 3.32 N ATOM 1489 CA GLU A 95 -11.523 8.378 3.287 1.00 34.22 C ATOM 1490 C GLU A 95 -10.509 9.427 3.731 1.00 2.54 C ATOM 1491 O GLU A 95 -10.879 10.522 4.154 1.00 44.31 O ATOM 1492 CB GLU A 95 -11.943 7.520 4.483 1.00 54.31 C ATOM 1493 CG GLU A 95 -12.320 8.332 5.711 1.00 34.51 C ATOM 1494 CD GLU A 95 -11.163 8.502 6.676 1.00 61.04 C ATOM 1495 OE1 GLU A 95 -10.638 7.477 7.159 1.00 60.35 O ATOM 1496 OE2 GLU A 95 -10.782 9.660 6.948 1.00 71.43 O ATOM 0 H GLU A 95 -10.890 6.551 2.474 1.00 3.32 H new ATOM 0 HA GLU A 95 -12.399 8.891 2.891 1.00 34.22 H new ATOM 0 HB2 GLU A 95 -12.791 6.899 4.194 1.00 54.31 H new ATOM 0 HB3 GLU A 95 -11.126 6.845 4.740 1.00 54.31 H new ATOM 0 HG2 GLU A 95 -12.674 9.314 5.398 1.00 34.51 H new ATOM 0 HG3 GLU A 95 -13.148 7.843 6.225 1.00 34.51 H new