USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 GLN : amide:sc= -3.32 K(o=-7.1,f=-8.1) USER MOD Set 2.2: A 81 MET CE :methyl -168:sc= -3.82! (180deg=-4.98!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -7.8! C(o=-19!,f=-23!) USER MOD Set 3.2: A 25 MET CE :methyl -157:sc= -4.32! (180deg=-5.92!) USER MOD Set 3.3: A 48 MET CE :methyl -107:sc= -3.18 (180deg=-1.02) USER MOD Set 3.4: A 57 MET CE :methyl -115:sc= -3.73! (180deg=-6.76!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -12:sc= 0.893 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.014 K(o=0.014,f=-1) USER MOD Single : A 14 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.48) USER MOD Single : A 17 SER OG : rot 59:sc= 0.643 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 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 110:sc= -1.78 USER MOD Single : A 32 THR OG1 : rot -78:sc= -0.0732 USER MOD Single : A 34 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.22) USER MOD Single : A 39 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.0078) USER MOD Single : A 41 HIS : no HE2:sc= -6.36 K(o=-6.4,f=-4.9) USER MOD Single : A 43 GLN : amide:sc= -3.27! C(o=-3.3!,f=-2.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.214 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= -0.0575 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00126 X(o=-0.0013,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.992 USER MOD Single : A 80 SER OG : rot 47:sc= -0.68! USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.3) USER MOD Single : A 85 THR OG1 : rot 131:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.359 0.146 17.789 1.00 71.13 N ATOM 12 CA ARG A 3 -10.298 -0.772 17.391 1.00 13.15 C ATOM 13 C ARG A 3 -9.640 -0.313 16.093 1.00 33.24 C ATOM 14 O ARG A 3 -10.302 -0.181 15.065 1.00 54.44 O ATOM 15 CB ARG A 3 -10.856 -2.186 17.221 1.00 23.31 C ATOM 16 CG ARG A 3 -10.040 -3.252 17.934 1.00 31.42 C ATOM 17 CD ARG A 3 -10.742 -3.743 19.191 1.00 3.51 C ATOM 18 NE ARG A 3 -9.880 -4.601 19.999 1.00 31.33 N ATOM 19 CZ ARG A 3 -9.657 -5.882 19.728 1.00 64.31 C ATOM 20 NH1 ARG A 3 -10.228 -6.450 18.674 1.00 2.44 N ATOM 21 NH2 ARG A 3 -8.860 -6.598 20.511 1.00 63.42 N ATOM 0 HA ARG A 3 -9.543 -0.779 18.177 1.00 13.15 H new ATOM 0 HB2 ARG A 3 -11.879 -2.212 17.597 1.00 23.31 H new ATOM 0 HB3 ARG A 3 -10.901 -2.425 16.158 1.00 23.31 H new ATOM 0 HG2 ARG A 3 -9.868 -4.092 17.260 1.00 31.42 H new ATOM 0 HG3 ARG A 3 -9.062 -2.848 18.196 1.00 31.42 H new ATOM 0 HD2 ARG A 3 -11.062 -2.887 19.786 1.00 3.51 H new ATOM 0 HD3 ARG A 3 -11.642 -4.292 18.913 1.00 3.51 H new ATOM 0 HE ARG A 3 -9.424 -4.194 20.816 1.00 31.33 H new ATOM 0 HH11 ARG A 3 -10.840 -5.903 18.069 1.00 2.44 H new ATOM 0 HH12 ARG A 3 -10.055 -7.434 18.469 1.00 2.44 H new ATOM 0 HH21 ARG A 3 -8.418 -6.165 21.322 1.00 63.42 H new ATOM 0 HH22 ARG A 3 -8.689 -7.582 20.302 1.00 63.42 H new ATOM 35 N GLN A 4 -8.334 -0.072 16.151 1.00 75.31 N ATOM 36 CA GLN A 4 -7.588 0.373 14.980 1.00 30.30 C ATOM 37 C GLN A 4 -6.884 -0.800 14.305 1.00 1.13 C ATOM 38 O GLN A 4 -6.462 -1.748 14.967 1.00 20.32 O ATOM 39 CB GLN A 4 -6.564 1.438 15.376 1.00 14.12 C ATOM 40 CG GLN A 4 -6.970 2.849 14.980 1.00 63.53 C ATOM 41 CD GLN A 4 -5.779 3.730 14.658 1.00 24.45 C ATOM 42 OE1 GLN A 4 -5.236 3.681 13.554 1.00 3.04 O ATOM 43 NE2 GLN A 4 -5.365 4.542 15.624 1.00 32.22 N ATOM 0 H GLN A 4 -7.771 -0.177 16.995 1.00 75.31 H new ATOM 0 HA GLN A 4 -8.296 0.805 14.272 1.00 30.30 H new ATOM 0 HB2 GLN A 4 -6.413 1.402 16.455 1.00 14.12 H new ATOM 0 HB3 GLN A 4 -5.607 1.200 14.912 1.00 14.12 H new ATOM 0 HG2 GLN A 4 -7.629 2.804 14.113 1.00 63.53 H new ATOM 0 HG3 GLN A 4 -7.542 3.300 15.791 1.00 63.53 H new ATOM 0 HE21 GLN A 4 -5.845 4.550 16.524 1.00 32.22 H new ATOM 0 HE22 GLN A 4 -4.567 5.158 15.466 1.00 32.22 H new ATOM 52 N VAL A 5 -6.761 -0.729 12.984 1.00 44.33 N ATOM 53 CA VAL A 5 -6.107 -1.784 12.219 1.00 61.11 C ATOM 54 C VAL A 5 -4.728 -1.343 11.741 1.00 30.12 C ATOM 55 O VAL A 5 -4.443 -0.148 11.653 1.00 34.30 O ATOM 56 CB VAL A 5 -6.952 -2.200 11.000 1.00 41.50 C ATOM 57 CG1 VAL A 5 -8.329 -2.671 11.441 1.00 53.15 C ATOM 58 CG2 VAL A 5 -7.064 -1.048 10.013 1.00 40.25 C ATOM 0 H VAL A 5 -7.106 0.048 12.421 1.00 44.33 H new ATOM 0 HA VAL A 5 -6.000 -2.639 12.887 1.00 61.11 H new ATOM 0 HB VAL A 5 -6.454 -3.030 10.500 1.00 41.50 H new ATOM 0 HG11 VAL A 5 -8.912 -2.961 10.567 1.00 53.15 H new ATOM 0 HG12 VAL A 5 -8.225 -3.527 12.107 1.00 53.15 H new ATOM 0 HG13 VAL A 5 -8.839 -1.863 11.966 1.00 53.15 H new ATOM 0 HG21 VAL A 5 -7.664 -1.359 9.158 1.00 40.25 H new ATOM 0 HG22 VAL A 5 -7.540 -0.197 10.500 1.00 40.25 H new ATOM 0 HG23 VAL A 5 -6.069 -0.762 9.673 1.00 40.25 H new ATOM 68 N ILE A 6 -3.876 -2.315 11.434 1.00 43.13 N ATOM 69 CA ILE A 6 -2.527 -2.027 10.963 1.00 43.30 C ATOM 70 C ILE A 6 -2.503 -1.827 9.451 1.00 1.34 C ATOM 71 O ILE A 6 -3.312 -2.406 8.726 1.00 51.34 O ATOM 72 CB ILE A 6 -1.547 -3.155 11.336 1.00 72.23 C ATOM 73 CG1 ILE A 6 -1.620 -3.449 12.836 1.00 52.25 C ATOM 74 CG2 ILE A 6 -0.129 -2.780 10.932 1.00 30.42 C ATOM 75 CD1 ILE A 6 -2.484 -4.643 13.176 1.00 13.22 C ATOM 0 H ILE A 6 -4.096 -3.309 11.503 1.00 43.13 H new ATOM 0 HA ILE A 6 -2.212 -1.106 11.454 1.00 43.30 H new ATOM 0 HB ILE A 6 -1.831 -4.057 10.794 1.00 72.23 H new ATOM 0 HG12 ILE A 6 -0.612 -3.621 13.214 1.00 52.25 H new ATOM 0 HG13 ILE A 6 -2.009 -2.571 13.352 1.00 52.25 H new ATOM 0 HG21 ILE A 6 0.552 -3.587 11.202 1.00 30.42 H new ATOM 0 HG22 ILE A 6 -0.089 -2.617 9.855 1.00 30.42 H new ATOM 0 HG23 ILE A 6 0.167 -1.867 11.449 1.00 30.42 H new ATOM 0 HD11 ILE A 6 -2.490 -4.792 14.256 1.00 13.22 H new ATOM 0 HD12 ILE A 6 -3.502 -4.466 12.829 1.00 13.22 H new ATOM 0 HD13 ILE A 6 -2.084 -5.532 12.689 1.00 13.22 H new ATOM 87 N CYS A 7 -1.570 -1.005 8.984 1.00 65.43 N ATOM 88 CA CYS A 7 -1.439 -0.729 7.557 1.00 20.53 C ATOM 89 C CYS A 7 -0.752 -1.887 6.840 1.00 4.14 C ATOM 90 O CYS A 7 -0.012 -2.657 7.452 1.00 23.23 O ATOM 91 CB CYS A 7 -0.652 0.563 7.337 1.00 64.13 C ATOM 92 SG CYS A 7 1.125 0.404 7.632 1.00 2.44 S ATOM 0 H CYS A 7 -0.893 -0.518 9.572 1.00 65.43 H new ATOM 0 HA CYS A 7 -2.440 -0.611 7.141 1.00 20.53 H new ATOM 0 HB2 CYS A 7 -0.811 0.903 6.313 1.00 64.13 H new ATOM 0 HB3 CYS A 7 -1.051 1.335 7.995 1.00 64.13 H new ATOM 0 HG CYS A 7 1.704 1.548 7.418 1.00 2.44 H new ATOM 98 N TRP A 8 -1.002 -2.004 5.541 1.00 14.45 N ATOM 99 CA TRP A 8 -0.409 -3.069 4.741 1.00 3.33 C ATOM 100 C TRP A 8 0.683 -2.520 3.830 1.00 65.54 C ATOM 101 O TRP A 8 0.412 -1.727 2.928 1.00 15.40 O ATOM 102 CB TRP A 8 -1.484 -3.767 3.907 1.00 25.50 C ATOM 103 CG TRP A 8 -2.448 -4.567 4.730 1.00 23.20 C ATOM 104 CD1 TRP A 8 -3.360 -4.083 5.624 1.00 72.44 C ATOM 105 CD2 TRP A 8 -2.593 -5.991 4.736 1.00 31.53 C ATOM 106 NE1 TRP A 8 -4.064 -5.121 6.185 1.00 31.41 N ATOM 107 CE2 TRP A 8 -3.613 -6.302 5.657 1.00 71.02 C ATOM 108 CE3 TRP A 8 -1.963 -7.034 4.053 1.00 64.44 C ATOM 109 CZ2 TRP A 8 -4.014 -7.611 5.910 1.00 63.21 C ATOM 110 CZ3 TRP A 8 -2.361 -8.333 4.305 1.00 32.31 C ATOM 111 CH2 TRP A 8 -3.379 -8.613 5.226 1.00 12.35 C ATOM 0 H TRP A 8 -1.612 -1.374 5.019 1.00 14.45 H new ATOM 0 HA TRP A 8 0.040 -3.794 5.420 1.00 3.33 H new ATOM 0 HB2 TRP A 8 -2.036 -3.018 3.339 1.00 25.50 H new ATOM 0 HB3 TRP A 8 -1.002 -4.425 3.183 1.00 25.50 H new ATOM 0 HD1 TRP A 8 -3.506 -3.038 5.856 1.00 72.44 H new ATOM 0 HE1 TRP A 8 -4.803 -5.027 6.882 1.00 31.41 H new ATOM 0 HE3 TRP A 8 -1.178 -6.829 3.340 1.00 64.44 H new ATOM 0 HZ2 TRP A 8 -4.798 -7.828 6.620 1.00 63.21 H new ATOM 0 HZ3 TRP A 8 -1.879 -9.146 3.783 1.00 32.31 H new ATOM 0 HH2 TRP A 8 -3.668 -9.639 5.400 1.00 12.35 H new ATOM 122 N CYS A 9 1.918 -2.948 4.069 1.00 30.12 N ATOM 123 CA CYS A 9 3.052 -2.499 3.269 1.00 53.30 C ATOM 124 C CYS A 9 3.371 -3.503 2.166 1.00 12.31 C ATOM 125 O CYS A 9 3.667 -4.666 2.438 1.00 23.31 O ATOM 126 CB CYS A 9 4.279 -2.291 4.157 1.00 23.33 C ATOM 127 SG CYS A 9 4.740 -3.744 5.130 1.00 2.25 S ATOM 0 H CYS A 9 2.159 -3.606 4.811 1.00 30.12 H new ATOM 0 HA CYS A 9 2.784 -1.550 2.805 1.00 53.30 H new ATOM 0 HB2 CYS A 9 5.123 -2.004 3.530 1.00 23.33 H new ATOM 0 HB3 CYS A 9 4.087 -1.459 4.835 1.00 23.33 H new ATOM 0 HG CYS A 9 3.780 -4.620 5.084 1.00 2.25 H new ATOM 133 N PHE A 10 3.306 -3.045 0.920 1.00 23.41 N ATOM 134 CA PHE A 10 3.586 -3.904 -0.225 1.00 35.10 C ATOM 135 C PHE A 10 4.403 -3.160 -1.277 1.00 1.35 C ATOM 136 O PHE A 10 4.488 -1.931 -1.260 1.00 35.22 O ATOM 137 CB PHE A 10 2.279 -4.409 -0.841 1.00 43.14 C ATOM 138 CG PHE A 10 1.699 -3.475 -1.865 1.00 23.01 C ATOM 139 CD1 PHE A 10 1.137 -2.268 -1.481 1.00 71.20 C ATOM 140 CD2 PHE A 10 1.717 -3.804 -3.211 1.00 10.42 C ATOM 141 CE1 PHE A 10 0.602 -1.408 -2.421 1.00 11.42 C ATOM 142 CE2 PHE A 10 1.184 -2.947 -4.155 1.00 52.42 C ATOM 143 CZ PHE A 10 0.626 -1.747 -3.760 1.00 4.44 C ATOM 0 H PHE A 10 3.062 -2.085 0.678 1.00 23.41 H new ATOM 0 HA PHE A 10 4.168 -4.756 0.125 1.00 35.10 H new ATOM 0 HB2 PHE A 10 2.456 -5.379 -1.305 1.00 43.14 H new ATOM 0 HB3 PHE A 10 1.548 -4.564 -0.047 1.00 43.14 H new ATOM 0 HD1 PHE A 10 1.117 -1.997 -0.436 1.00 71.20 H new ATOM 0 HD2 PHE A 10 2.153 -4.741 -3.526 1.00 10.42 H new ATOM 0 HE1 PHE A 10 0.165 -0.471 -2.109 1.00 11.42 H new ATOM 0 HE2 PHE A 10 1.204 -3.215 -5.201 1.00 52.42 H new ATOM 0 HZ PHE A 10 0.209 -1.075 -4.496 1.00 4.44 H new ATOM 153 N THR A 11 5.005 -3.913 -2.192 1.00 2.12 N ATOM 154 CA THR A 11 5.818 -3.326 -3.250 1.00 74.51 C ATOM 155 C THR A 11 5.474 -3.932 -4.606 1.00 64.03 C ATOM 156 O THR A 11 5.572 -5.145 -4.799 1.00 44.30 O ATOM 157 CB THR A 11 7.321 -3.523 -2.979 1.00 1.04 C ATOM 158 OG1 THR A 11 7.587 -3.393 -1.577 1.00 71.35 O ATOM 159 CG2 THR A 11 8.148 -2.508 -3.753 1.00 1.21 C ATOM 0 H THR A 11 4.945 -4.931 -2.222 1.00 2.12 H new ATOM 0 HA THR A 11 5.596 -2.259 -3.264 1.00 74.51 H new ATOM 0 HB THR A 11 7.599 -4.523 -3.310 1.00 1.04 H new ATOM 0 HG1 THR A 11 8.545 -3.521 -1.412 1.00 71.35 H new ATOM 0 HG21 THR A 11 9.206 -2.667 -3.546 1.00 1.21 H new ATOM 0 HG22 THR A 11 7.965 -2.628 -4.821 1.00 1.21 H new ATOM 0 HG23 THR A 11 7.866 -1.500 -3.448 1.00 1.21 H new ATOM 167 N LEU A 12 5.072 -3.081 -5.544 1.00 64.30 N ATOM 168 CA LEU A 12 4.715 -3.533 -6.884 1.00 42.14 C ATOM 169 C LEU A 12 5.771 -3.109 -7.901 1.00 34.30 C ATOM 170 O LEU A 12 6.097 -1.929 -8.016 1.00 3.12 O ATOM 171 CB LEU A 12 3.350 -2.972 -7.286 1.00 32.21 C ATOM 172 CG LEU A 12 2.903 -3.257 -8.720 1.00 53.12 C ATOM 173 CD1 LEU A 12 3.199 -4.701 -9.095 1.00 50.30 C ATOM 174 CD2 LEU A 12 1.421 -2.954 -8.887 1.00 32.01 C ATOM 0 H LEU A 12 4.985 -2.075 -5.401 1.00 64.30 H new ATOM 0 HA LEU A 12 4.664 -4.622 -6.872 1.00 42.14 H new ATOM 0 HB2 LEU A 12 2.599 -3.375 -6.606 1.00 32.21 H new ATOM 0 HB3 LEU A 12 3.366 -1.892 -7.140 1.00 32.21 H new ATOM 0 HG LEU A 12 3.464 -2.607 -9.391 1.00 53.12 H new ATOM 0 HD11 LEU A 12 2.874 -4.885 -10.119 1.00 50.30 H new ATOM 0 HD12 LEU A 12 4.270 -4.885 -9.016 1.00 50.30 H new ATOM 0 HD13 LEU A 12 2.665 -5.369 -8.419 1.00 50.30 H new ATOM 0 HD21 LEU A 12 1.120 -3.163 -9.914 1.00 32.01 H new ATOM 0 HD22 LEU A 12 0.843 -3.578 -8.206 1.00 32.01 H new ATOM 0 HD23 LEU A 12 1.237 -1.904 -8.661 1.00 32.01 H new ATOM 186 N ASN A 13 6.298 -4.081 -8.638 1.00 65.11 N ATOM 187 CA ASN A 13 7.316 -3.809 -9.647 1.00 12.41 C ATOM 188 C ASN A 13 6.738 -3.944 -11.052 1.00 41.25 C ATOM 189 O ASN A 13 6.022 -4.899 -11.351 1.00 45.10 O ATOM 190 CB ASN A 13 8.501 -4.761 -9.477 1.00 32.44 C ATOM 191 CG ASN A 13 8.070 -6.214 -9.409 1.00 12.33 C ATOM 192 OD1 ASN A 13 7.534 -6.667 -8.397 1.00 73.04 O ATOM 193 ND2 ASN A 13 8.303 -6.951 -10.488 1.00 61.12 N ATOM 0 H ASN A 13 6.037 -5.064 -8.556 1.00 65.11 H new ATOM 0 HA ASN A 13 7.661 -2.784 -9.512 1.00 12.41 H new ATOM 0 HB2 ASN A 13 9.192 -4.628 -10.309 1.00 32.44 H new ATOM 0 HB3 ASN A 13 9.044 -4.503 -8.568 1.00 32.44 H new ATOM 0 HD21 ASN A 13 8.035 -7.935 -10.501 1.00 61.12 H new ATOM 0 HD22 ASN A 13 8.750 -6.533 -11.304 1.00 61.12 H new ATOM 200 N ASN A 14 7.055 -2.981 -11.912 1.00 1.32 N ATOM 201 CA ASN A 14 6.568 -2.992 -13.286 1.00 73.04 C ATOM 202 C ASN A 14 5.058 -3.209 -13.327 1.00 21.35 C ATOM 203 O ASN A 14 4.564 -4.213 -13.840 1.00 52.15 O ATOM 204 CB ASN A 14 7.273 -4.086 -14.091 1.00 2.24 C ATOM 205 CG ASN A 14 7.173 -3.859 -15.587 1.00 33.33 C ATOM 206 OD1 ASN A 14 6.080 -3.695 -16.129 1.00 33.11 O ATOM 207 ND2 ASN A 14 8.316 -3.850 -16.262 1.00 3.23 N ATOM 0 H ASN A 14 7.647 -2.183 -11.681 1.00 1.32 H new ATOM 0 HA ASN A 14 6.790 -2.022 -13.731 1.00 73.04 H new ATOM 0 HB2 ASN A 14 8.323 -4.126 -13.802 1.00 2.24 H new ATOM 0 HB3 ASN A 14 6.837 -5.054 -13.843 1.00 2.24 H new ATOM 0 HD21 ASN A 14 8.311 -3.703 -17.271 1.00 3.23 H new ATOM 0 HD22 ASN A 14 9.199 -3.990 -15.771 1.00 3.23 H new ATOM 214 N PRO A 15 4.307 -2.246 -12.772 1.00 71.30 N ATOM 215 CA PRO A 15 2.843 -2.309 -12.733 1.00 12.43 C ATOM 216 C PRO A 15 2.218 -2.137 -14.113 1.00 70.21 C ATOM 217 O PRO A 15 2.904 -1.798 -15.078 1.00 53.05 O ATOM 218 CB PRO A 15 2.462 -1.137 -11.824 1.00 42.12 C ATOM 219 CG PRO A 15 3.598 -0.181 -11.943 1.00 45.20 C ATOM 220 CD PRO A 15 4.829 -1.022 -12.141 1.00 72.42 C ATOM 0 HA PRO A 15 2.486 -3.276 -12.378 1.00 12.43 H new ATOM 0 HB2 PRO A 15 1.525 -0.679 -12.140 1.00 42.12 H new ATOM 0 HB3 PRO A 15 2.326 -1.464 -10.793 1.00 42.12 H new ATOM 0 HG2 PRO A 15 3.450 0.498 -12.783 1.00 45.20 H new ATOM 0 HG3 PRO A 15 3.686 0.434 -11.047 1.00 45.20 H new ATOM 0 HD2 PRO A 15 5.559 -0.522 -12.777 1.00 72.42 H new ATOM 0 HD3 PRO A 15 5.325 -1.238 -11.195 1.00 72.42 H new ATOM 228 N LEU A 16 0.914 -2.373 -14.200 1.00 54.12 N ATOM 229 CA LEU A 16 0.196 -2.244 -15.464 1.00 15.15 C ATOM 230 C LEU A 16 -0.818 -1.106 -15.400 1.00 35.22 C ATOM 231 O LEU A 16 -1.465 -0.781 -16.395 1.00 70.15 O ATOM 232 CB LEU A 16 -0.513 -3.555 -15.806 1.00 73.42 C ATOM 233 CG LEU A 16 0.388 -4.712 -16.241 1.00 11.24 C ATOM 234 CD1 LEU A 16 0.724 -5.601 -15.054 1.00 21.42 C ATOM 235 CD2 LEU A 16 -0.277 -5.521 -17.344 1.00 54.24 C ATOM 0 H LEU A 16 0.332 -2.655 -13.411 1.00 54.12 H new ATOM 0 HA LEU A 16 0.922 -2.016 -16.245 1.00 15.15 H new ATOM 0 HB2 LEU A 16 -1.084 -3.874 -14.934 1.00 73.42 H new ATOM 0 HB3 LEU A 16 -1.230 -3.360 -16.603 1.00 73.42 H new ATOM 0 HG LEU A 16 1.317 -4.297 -16.633 1.00 11.24 H new ATOM 0 HD11 LEU A 16 1.366 -6.419 -15.382 1.00 21.42 H new ATOM 0 HD12 LEU A 16 1.243 -5.015 -14.296 1.00 21.42 H new ATOM 0 HD13 LEU A 16 -0.195 -6.008 -14.632 1.00 21.42 H new ATOM 0 HD21 LEU A 16 0.379 -6.340 -17.641 1.00 54.24 H new ATOM 0 HD22 LEU A 16 -1.221 -5.926 -16.979 1.00 54.24 H new ATOM 0 HD23 LEU A 16 -0.466 -4.878 -18.204 1.00 54.24 H new ATOM 247 N SER A 17 -0.951 -0.503 -14.223 1.00 25.35 N ATOM 248 CA SER A 17 -1.887 0.598 -14.028 1.00 61.43 C ATOM 249 C SER A 17 -1.836 1.107 -12.591 1.00 30.31 C ATOM 250 O SER A 17 -1.368 0.424 -11.680 1.00 33.25 O ATOM 251 CB SER A 17 -3.309 0.152 -14.373 1.00 52.15 C ATOM 252 OG SER A 17 -3.705 0.647 -15.641 1.00 12.32 O ATOM 0 H SER A 17 -0.422 -0.759 -13.389 1.00 25.35 H new ATOM 0 HA SER A 17 -1.597 1.411 -14.693 1.00 61.43 H new ATOM 0 HB2 SER A 17 -3.363 -0.937 -14.371 1.00 52.15 H new ATOM 0 HB3 SER A 17 -4.000 0.507 -13.609 1.00 52.15 H new ATOM 0 HG SER A 17 -3.088 0.319 -16.328 1.00 12.32 H new ATOM 258 N PRO A 18 -2.329 2.337 -12.382 1.00 61.41 N ATOM 259 CA PRO A 18 -2.352 2.966 -11.058 1.00 71.23 C ATOM 260 C PRO A 18 -3.350 2.300 -10.117 1.00 60.52 C ATOM 261 O PRO A 18 -4.341 1.717 -10.558 1.00 75.14 O ATOM 262 CB PRO A 18 -2.778 4.405 -11.357 1.00 50.32 C ATOM 263 CG PRO A 18 -3.541 4.317 -12.634 1.00 3.41 C ATOM 264 CD PRO A 18 -2.902 3.207 -13.422 1.00 51.40 C ATOM 0 HA PRO A 18 -1.389 2.888 -10.553 1.00 71.23 H new ATOM 0 HB2 PRO A 18 -3.395 4.810 -10.555 1.00 50.32 H new ATOM 0 HB3 PRO A 18 -1.913 5.061 -11.457 1.00 50.32 H new ATOM 0 HG2 PRO A 18 -4.594 4.106 -12.446 1.00 3.41 H new ATOM 0 HG3 PRO A 18 -3.497 5.259 -13.181 1.00 3.41 H new ATOM 0 HD2 PRO A 18 -3.632 2.676 -14.033 1.00 51.40 H new ATOM 0 HD3 PRO A 18 -2.135 3.584 -14.098 1.00 51.40 H new ATOM 272 N LEU A 19 -3.082 2.389 -8.819 1.00 55.31 N ATOM 273 CA LEU A 19 -3.958 1.795 -7.815 1.00 1.24 C ATOM 274 C LEU A 19 -5.269 2.568 -7.709 1.00 4.21 C ATOM 275 O LEU A 19 -5.398 3.667 -8.249 1.00 73.41 O ATOM 276 CB LEU A 19 -3.259 1.765 -6.454 1.00 51.22 C ATOM 277 CG LEU A 19 -1.897 1.072 -6.415 1.00 4.44 C ATOM 278 CD1 LEU A 19 -1.383 0.987 -4.986 1.00 24.12 C ATOM 279 CD2 LEU A 19 -1.985 -0.314 -7.035 1.00 71.23 C ATOM 0 H LEU A 19 -2.266 2.866 -8.437 1.00 55.31 H new ATOM 0 HA LEU A 19 -4.184 0.774 -8.124 1.00 1.24 H new ATOM 0 HB2 LEU A 19 -3.132 2.792 -6.110 1.00 51.22 H new ATOM 0 HB3 LEU A 19 -3.917 1.269 -5.741 1.00 51.22 H new ATOM 0 HG LEU A 19 -1.193 1.664 -6.999 1.00 4.44 H new ATOM 0 HD11 LEU A 19 -0.413 0.491 -4.977 1.00 24.12 H new ATOM 0 HD12 LEU A 19 -1.281 1.992 -4.576 1.00 24.12 H new ATOM 0 HD13 LEU A 19 -2.087 0.418 -4.379 1.00 24.12 H new ATOM 0 HD21 LEU A 19 -1.006 -0.792 -6.998 1.00 71.23 H new ATOM 0 HD22 LEU A 19 -2.704 -0.916 -6.479 1.00 71.23 H new ATOM 0 HD23 LEU A 19 -2.308 -0.229 -8.072 1.00 71.23 H new ATOM 291 N SER A 20 -6.237 1.988 -7.008 1.00 31.43 N ATOM 292 CA SER A 20 -7.539 2.621 -6.832 1.00 42.02 C ATOM 293 C SER A 20 -8.155 2.233 -5.492 1.00 12.34 C ATOM 294 O SER A 20 -7.792 1.216 -4.899 1.00 12.42 O ATOM 295 CB SER A 20 -8.480 2.226 -7.972 1.00 44.32 C ATOM 296 OG SER A 20 -7.970 2.651 -9.224 1.00 64.44 O ATOM 0 H SER A 20 -6.145 1.080 -6.552 1.00 31.43 H new ATOM 0 HA SER A 20 -7.395 3.701 -6.847 1.00 42.02 H new ATOM 0 HB2 SER A 20 -8.614 1.144 -7.979 1.00 44.32 H new ATOM 0 HB3 SER A 20 -9.462 2.668 -7.807 1.00 44.32 H new ATOM 0 HG SER A 20 -8.588 2.385 -9.936 1.00 64.44 H new ATOM 302 N LEU A 21 -9.090 3.051 -5.019 1.00 24.31 N ATOM 303 CA LEU A 21 -9.758 2.795 -3.748 1.00 33.22 C ATOM 304 C LEU A 21 -10.507 1.466 -3.784 1.00 44.20 C ATOM 305 O LEU A 21 -10.950 1.020 -4.843 1.00 31.03 O ATOM 306 CB LEU A 21 -10.729 3.931 -3.422 1.00 1.32 C ATOM 307 CG LEU A 21 -11.715 3.666 -2.284 1.00 33.20 C ATOM 308 CD1 LEU A 21 -10.987 3.602 -0.950 1.00 71.44 C ATOM 309 CD2 LEU A 21 -12.795 4.738 -2.253 1.00 60.31 C ATOM 0 H LEU A 21 -9.402 3.896 -5.497 1.00 24.31 H new ATOM 0 HA LEU A 21 -8.996 2.741 -2.970 1.00 33.22 H new ATOM 0 HB2 LEU A 21 -10.148 4.819 -3.173 1.00 1.32 H new ATOM 0 HB3 LEU A 21 -11.298 4.165 -4.322 1.00 1.32 H new ATOM 0 HG LEU A 21 -12.192 2.702 -2.461 1.00 33.20 H new ATOM 0 HD11 LEU A 21 -11.705 3.413 -0.152 1.00 71.44 H new ATOM 0 HD12 LEU A 21 -10.252 2.798 -0.975 1.00 71.44 H new ATOM 0 HD13 LEU A 21 -10.481 4.550 -0.766 1.00 71.44 H new ATOM 0 HD21 LEU A 21 -13.488 4.533 -1.437 1.00 60.31 H new ATOM 0 HD22 LEU A 21 -12.334 5.714 -2.102 1.00 60.31 H new ATOM 0 HD23 LEU A 21 -13.337 4.735 -3.198 1.00 60.31 H new ATOM 321 N HIS A 22 -10.646 0.839 -2.620 1.00 45.21 N ATOM 322 CA HIS A 22 -11.343 -0.438 -2.518 1.00 52.31 C ATOM 323 C HIS A 22 -12.553 -0.324 -1.596 1.00 11.53 C ATOM 324 O HIS A 22 -12.452 0.197 -0.484 1.00 63.44 O ATOM 325 CB HIS A 22 -10.395 -1.521 -2.003 1.00 71.13 C ATOM 326 CG HIS A 22 -10.852 -2.913 -2.313 1.00 71.40 C ATOM 327 ND1 HIS A 22 -10.780 -3.949 -1.405 1.00 42.31 N ATOM 328 CD2 HIS A 22 -11.391 -3.438 -3.438 1.00 73.51 C ATOM 329 CE1 HIS A 22 -11.253 -5.051 -1.959 1.00 11.21 C ATOM 330 NE2 HIS A 22 -11.631 -4.768 -3.192 1.00 73.04 N ATOM 0 H HIS A 22 -10.285 1.194 -1.735 1.00 45.21 H new ATOM 0 HA HIS A 22 -11.691 -0.714 -3.513 1.00 52.31 H new ATOM 0 HB2 HIS A 22 -9.408 -1.366 -2.439 1.00 71.13 H new ATOM 0 HB3 HIS A 22 -10.287 -1.415 -0.924 1.00 71.13 H new ATOM 0 HD2 HIS A 22 -11.594 -2.910 -4.358 1.00 73.51 H new ATOM 0 HE1 HIS A 22 -11.319 -6.019 -1.484 1.00 11.21 H new ATOM 0 HE2 HIS A 22 -12.036 -5.430 -3.854 1.00 73.04 H new ATOM 338 N ASP A 23 -13.696 -0.812 -2.064 1.00 52.12 N ATOM 339 CA ASP A 23 -14.926 -0.765 -1.281 1.00 63.04 C ATOM 340 C ASP A 23 -14.741 -1.462 0.063 1.00 2.20 C ATOM 341 O ASP A 23 -15.461 -1.184 1.022 1.00 73.14 O ATOM 342 CB ASP A 23 -16.073 -1.417 -2.054 1.00 61.35 C ATOM 343 CG ASP A 23 -16.290 -0.782 -3.414 1.00 22.21 C ATOM 344 OD1 ASP A 23 -16.099 0.446 -3.532 1.00 12.25 O ATOM 345 OD2 ASP A 23 -16.651 -1.513 -4.360 1.00 31.31 O ATOM 0 H ASP A 23 -13.797 -1.245 -2.982 1.00 52.12 H new ATOM 0 HA ASP A 23 -15.171 0.281 -1.097 1.00 63.04 H new ATOM 0 HB2 ASP A 23 -15.864 -2.479 -2.181 1.00 61.35 H new ATOM 0 HB3 ASP A 23 -16.990 -1.341 -1.470 1.00 61.35 H new ATOM 350 N SER A 24 -13.771 -2.369 0.125 1.00 12.13 N ATOM 351 CA SER A 24 -13.495 -3.109 1.351 1.00 63.33 C ATOM 352 C SER A 24 -12.583 -2.308 2.275 1.00 32.35 C ATOM 353 O SER A 24 -12.790 -2.270 3.488 1.00 52.00 O ATOM 354 CB SER A 24 -12.850 -4.457 1.023 1.00 63.33 C ATOM 355 OG SER A 24 -13.496 -5.513 1.713 1.00 63.13 O ATOM 0 H SER A 24 -13.164 -2.609 -0.659 1.00 12.13 H new ATOM 0 HA SER A 24 -14.441 -3.282 1.863 1.00 63.33 H new ATOM 0 HB2 SER A 24 -12.900 -4.636 -0.051 1.00 63.33 H new ATOM 0 HB3 SER A 24 -11.794 -4.434 1.293 1.00 63.33 H new ATOM 0 HG SER A 24 -13.066 -6.364 1.485 1.00 63.13 H new ATOM 361 N MET A 25 -11.574 -1.670 1.693 1.00 4.21 N ATOM 362 CA MET A 25 -10.630 -0.868 2.464 1.00 34.21 C ATOM 363 C MET A 25 -11.279 0.428 2.938 1.00 13.33 C ATOM 364 O MET A 25 -12.473 0.650 2.731 1.00 24.50 O ATOM 365 CB MET A 25 -9.390 -0.554 1.625 1.00 30.32 C ATOM 366 CG MET A 25 -9.578 0.621 0.679 1.00 24.42 C ATOM 367 SD MET A 25 -8.028 1.170 -0.062 1.00 13.14 S ATOM 368 CE MET A 25 -7.591 -0.267 -1.037 1.00 23.33 C ATOM 0 H MET A 25 -11.388 -1.692 0.690 1.00 4.21 H new ATOM 0 HA MET A 25 -10.331 -1.445 3.339 1.00 34.21 H new ATOM 0 HB2 MET A 25 -8.554 -0.343 2.292 1.00 30.32 H new ATOM 0 HB3 MET A 25 -9.120 -1.437 1.046 1.00 30.32 H new ATOM 0 HG2 MET A 25 -10.274 0.339 -0.111 1.00 24.42 H new ATOM 0 HG3 MET A 25 -10.031 1.451 1.222 1.00 24.42 H new ATOM 0 HE1 MET A 25 -6.516 -0.270 -1.219 1.00 23.33 H new ATOM 0 HE2 MET A 25 -7.870 -1.172 -0.497 1.00 23.33 H new ATOM 0 HE3 MET A 25 -8.120 -0.235 -1.989 1.00 23.33 H new ATOM 378 N LYS A 26 -10.486 1.283 3.576 1.00 34.30 N ATOM 379 CA LYS A 26 -10.983 2.558 4.079 1.00 4.13 C ATOM 380 C LYS A 26 -10.167 3.719 3.519 1.00 24.30 C ATOM 381 O LYS A 26 -10.713 4.770 3.185 1.00 12.34 O ATOM 382 CB LYS A 26 -10.936 2.579 5.609 1.00 43.32 C ATOM 383 CG LYS A 26 -12.301 2.733 6.257 1.00 4.31 C ATOM 384 CD LYS A 26 -12.995 1.392 6.421 1.00 24.41 C ATOM 385 CE LYS A 26 -14.335 1.540 7.124 1.00 75.13 C ATOM 386 NZ LYS A 26 -14.233 1.251 8.581 1.00 51.11 N ATOM 0 H LYS A 26 -9.496 1.116 3.757 1.00 34.30 H new ATOM 0 HA LYS A 26 -12.016 2.672 3.751 1.00 4.13 H new ATOM 0 HB2 LYS A 26 -10.477 1.656 5.963 1.00 43.32 H new ATOM 0 HB3 LYS A 26 -10.295 3.398 5.933 1.00 43.32 H new ATOM 0 HG2 LYS A 26 -12.190 3.208 7.232 1.00 4.31 H new ATOM 0 HG3 LYS A 26 -12.921 3.393 5.650 1.00 4.31 H new ATOM 0 HD2 LYS A 26 -13.145 0.937 5.442 1.00 24.41 H new ATOM 0 HD3 LYS A 26 -12.356 0.718 6.992 1.00 24.41 H new ATOM 0 HE2 LYS A 26 -14.710 2.553 6.980 1.00 75.13 H new ATOM 0 HE3 LYS A 26 -15.060 0.864 6.670 1.00 75.13 H new ATOM 0 HZ1 LYS A 26 -15.168 1.363 9.023 1.00 51.11 H new ATOM 0 HZ2 LYS A 26 -13.899 0.276 8.719 1.00 51.11 H new ATOM 0 HZ3 LYS A 26 -13.561 1.912 9.020 1.00 51.11 H new ATOM 400 N TYR A 27 -8.857 3.520 3.417 1.00 12.32 N ATOM 401 CA TYR A 27 -7.966 4.551 2.898 1.00 71.13 C ATOM 402 C TYR A 27 -6.936 3.951 1.945 1.00 13.12 C ATOM 403 O TYR A 27 -6.523 2.802 2.103 1.00 64.44 O ATOM 404 CB TYR A 27 -7.257 5.268 4.048 1.00 41.25 C ATOM 405 CG TYR A 27 -6.836 6.681 3.712 1.00 43.02 C ATOM 406 CD1 TYR A 27 -7.767 7.623 3.291 1.00 23.12 C ATOM 407 CD2 TYR A 27 -5.507 7.074 3.814 1.00 20.11 C ATOM 408 CE1 TYR A 27 -7.387 8.915 2.983 1.00 64.34 C ATOM 409 CE2 TYR A 27 -5.118 8.364 3.509 1.00 31.11 C ATOM 410 CZ TYR A 27 -6.061 9.280 3.094 1.00 53.54 C ATOM 411 OH TYR A 27 -5.678 10.566 2.787 1.00 3.05 O ATOM 0 H TYR A 27 -8.389 2.655 3.687 1.00 12.32 H new ATOM 0 HA TYR A 27 -8.568 5.272 2.346 1.00 71.13 H new ATOM 0 HB2 TYR A 27 -7.919 5.291 4.914 1.00 41.25 H new ATOM 0 HB3 TYR A 27 -6.376 4.694 4.335 1.00 41.25 H new ATOM 0 HD1 TYR A 27 -8.806 7.340 3.203 1.00 23.12 H new ATOM 0 HD2 TYR A 27 -4.765 6.359 4.137 1.00 20.11 H new ATOM 0 HE1 TYR A 27 -8.123 9.635 2.657 1.00 64.34 H new ATOM 0 HE2 TYR A 27 -4.081 8.653 3.595 1.00 31.11 H new ATOM 0 HH TYR A 27 -5.423 11.036 3.608 1.00 3.05 H new ATOM 421 N LEU A 28 -6.526 4.738 0.957 1.00 43.01 N ATOM 422 CA LEU A 28 -5.543 4.287 -0.023 1.00 32.14 C ATOM 423 C LEU A 28 -4.373 5.261 -0.108 1.00 43.23 C ATOM 424 O LEU A 28 -4.562 6.459 -0.323 1.00 34.43 O ATOM 425 CB LEU A 28 -6.197 4.135 -1.397 1.00 62.12 C ATOM 426 CG LEU A 28 -5.243 4.070 -2.590 1.00 61.45 C ATOM 427 CD1 LEU A 28 -4.160 3.029 -2.352 1.00 73.50 C ATOM 428 CD2 LEU A 28 -6.009 3.762 -3.869 1.00 44.31 C ATOM 0 H LEU A 28 -6.858 5.691 0.813 1.00 43.01 H new ATOM 0 HA LEU A 28 -5.162 3.318 0.300 1.00 32.14 H new ATOM 0 HB2 LEU A 28 -6.802 3.228 -1.391 1.00 62.12 H new ATOM 0 HB3 LEU A 28 -6.879 4.972 -1.547 1.00 62.12 H new ATOM 0 HG LEU A 28 -4.765 5.043 -2.701 1.00 61.45 H new ATOM 0 HD11 LEU A 28 -3.491 2.997 -3.212 1.00 73.50 H new ATOM 0 HD12 LEU A 28 -3.592 3.292 -1.460 1.00 73.50 H new ATOM 0 HD13 LEU A 28 -4.620 2.050 -2.214 1.00 73.50 H new ATOM 0 HD21 LEU A 28 -5.314 3.720 -4.708 1.00 44.31 H new ATOM 0 HD22 LEU A 28 -6.515 2.802 -3.768 1.00 44.31 H new ATOM 0 HD23 LEU A 28 -6.747 4.544 -4.048 1.00 44.31 H new ATOM 440 N VAL A 29 -3.162 4.739 0.059 1.00 44.55 N ATOM 441 CA VAL A 29 -1.960 5.562 -0.003 1.00 45.34 C ATOM 442 C VAL A 29 -0.837 4.841 -0.740 1.00 62.51 C ATOM 443 O VAL A 29 -0.422 3.750 -0.346 1.00 54.04 O ATOM 444 CB VAL A 29 -1.470 5.947 1.405 1.00 2.43 C ATOM 445 CG1 VAL A 29 -0.176 6.742 1.322 1.00 5.11 C ATOM 446 CG2 VAL A 29 -2.541 6.734 2.145 1.00 75.01 C ATOM 0 H VAL A 29 -2.987 3.750 0.238 1.00 44.55 H new ATOM 0 HA VAL A 29 -2.225 6.468 -0.548 1.00 45.34 H new ATOM 0 HB VAL A 29 -1.271 5.032 1.964 1.00 2.43 H new ATOM 0 HG11 VAL A 29 0.155 7.005 2.327 1.00 5.11 H new ATOM 0 HG12 VAL A 29 0.590 6.140 0.834 1.00 5.11 H new ATOM 0 HG13 VAL A 29 -0.344 7.652 0.746 1.00 5.11 H new ATOM 0 HG21 VAL A 29 -2.178 6.998 3.138 1.00 75.01 H new ATOM 0 HG22 VAL A 29 -2.773 7.643 1.590 1.00 75.01 H new ATOM 0 HG23 VAL A 29 -3.441 6.126 2.238 1.00 75.01 H new ATOM 456 N TYR A 30 -0.348 5.456 -1.811 1.00 11.11 N ATOM 457 CA TYR A 30 0.726 4.872 -2.605 1.00 21.42 C ATOM 458 C TYR A 30 1.531 5.956 -3.314 1.00 41.05 C ATOM 459 O TYR A 30 1.067 7.085 -3.473 1.00 32.42 O ATOM 460 CB TYR A 30 0.155 3.891 -3.631 1.00 2.05 C ATOM 461 CG TYR A 30 -0.434 4.564 -4.849 1.00 50.53 C ATOM 462 CD1 TYR A 30 0.357 4.866 -5.951 1.00 42.00 C ATOM 463 CD2 TYR A 30 -1.781 4.900 -4.899 1.00 13.21 C ATOM 464 CE1 TYR A 30 -0.176 5.482 -7.067 1.00 35.14 C ATOM 465 CE2 TYR A 30 -2.324 5.515 -6.011 1.00 22.22 C ATOM 466 CZ TYR A 30 -1.517 5.804 -7.092 1.00 34.21 C ATOM 467 OH TYR A 30 -2.054 6.417 -8.201 1.00 2.33 O ATOM 0 H TYR A 30 -0.679 6.360 -2.149 1.00 11.11 H new ATOM 0 HA TYR A 30 1.391 4.334 -1.930 1.00 21.42 H new ATOM 0 HB2 TYR A 30 0.945 3.210 -3.949 1.00 2.05 H new ATOM 0 HB3 TYR A 30 -0.615 3.285 -3.153 1.00 2.05 H new ATOM 0 HD1 TYR A 30 1.407 4.615 -5.935 1.00 42.00 H new ATOM 0 HD2 TYR A 30 -2.415 4.677 -4.054 1.00 13.21 H new ATOM 0 HE1 TYR A 30 0.453 5.710 -7.914 1.00 35.14 H new ATOM 0 HE2 TYR A 30 -3.374 5.768 -6.034 1.00 22.22 H new ATOM 0 HH TYR A 30 -3.011 6.574 -8.057 1.00 2.33 H new ATOM 477 N GLN A 31 2.740 5.604 -3.740 1.00 20.52 N ATOM 478 CA GLN A 31 3.610 6.546 -4.433 1.00 4.03 C ATOM 479 C GLN A 31 4.481 5.829 -5.460 1.00 15.40 C ATOM 480 O GLN A 31 4.727 4.628 -5.351 1.00 64.20 O ATOM 481 CB GLN A 31 4.493 7.290 -3.429 1.00 42.13 C ATOM 482 CG GLN A 31 5.672 6.470 -2.931 1.00 44.24 C ATOM 483 CD GLN A 31 6.663 7.297 -2.136 1.00 24.44 C ATOM 484 OE1 GLN A 31 6.294 7.978 -1.179 1.00 50.52 O ATOM 485 NE2 GLN A 31 7.931 7.240 -2.527 1.00 50.11 N ATOM 0 H GLN A 31 3.139 4.673 -3.617 1.00 20.52 H new ATOM 0 HA GLN A 31 2.981 7.266 -4.957 1.00 4.03 H new ATOM 0 HB2 GLN A 31 4.866 8.203 -3.893 1.00 42.13 H new ATOM 0 HB3 GLN A 31 3.885 7.591 -2.576 1.00 42.13 H new ATOM 0 HG2 GLN A 31 5.305 5.653 -2.310 1.00 44.24 H new ATOM 0 HG3 GLN A 31 6.181 6.019 -3.782 1.00 44.24 H new ATOM 0 HE21 GLN A 31 8.193 6.662 -3.326 1.00 50.11 H new ATOM 0 HE22 GLN A 31 8.643 7.774 -2.028 1.00 50.11 H new ATOM 494 N THR A 32 4.944 6.574 -6.459 1.00 55.51 N ATOM 495 CA THR A 32 5.785 6.010 -7.507 1.00 12.41 C ATOM 496 C THR A 32 7.263 6.184 -7.178 1.00 62.31 C ATOM 497 O THR A 32 7.689 7.252 -6.741 1.00 45.23 O ATOM 498 CB THR A 32 5.494 6.662 -8.872 1.00 64.12 C ATOM 499 OG1 THR A 32 4.103 6.541 -9.187 1.00 13.04 O ATOM 500 CG2 THR A 32 6.326 6.013 -9.969 1.00 15.50 C ATOM 0 H THR A 32 4.750 7.570 -6.564 1.00 55.51 H new ATOM 0 HA THR A 32 5.551 4.947 -7.563 1.00 12.41 H new ATOM 0 HB THR A 32 5.761 7.717 -8.810 1.00 64.12 H new ATOM 0 HG1 THR A 32 3.918 5.633 -9.506 1.00 13.04 H new ATOM 0 HG21 THR A 32 6.104 6.489 -10.924 1.00 15.50 H new ATOM 0 HG22 THR A 32 7.385 6.133 -9.741 1.00 15.50 H new ATOM 0 HG23 THR A 32 6.085 4.952 -10.028 1.00 15.50 H new ATOM 508 N GLU A 33 8.040 5.126 -7.391 1.00 42.45 N ATOM 509 CA GLU A 33 9.472 5.164 -7.117 1.00 32.50 C ATOM 510 C GLU A 33 10.271 4.713 -8.336 1.00 44.12 C ATOM 511 O GLU A 33 9.739 4.060 -9.233 1.00 32.10 O ATOM 512 CB GLU A 33 9.807 4.275 -5.917 1.00 52.21 C ATOM 513 CG GLU A 33 9.602 4.961 -4.576 1.00 64.45 C ATOM 514 CD GLU A 33 10.701 4.637 -3.582 1.00 74.22 C ATOM 515 OE1 GLU A 33 11.374 3.600 -3.757 1.00 75.35 O ATOM 516 OE2 GLU A 33 10.887 5.422 -2.629 1.00 31.54 O ATOM 0 H GLU A 33 7.702 4.234 -7.752 1.00 42.45 H new ATOM 0 HA GLU A 33 9.745 6.194 -6.886 1.00 32.50 H new ATOM 0 HB2 GLU A 33 9.188 3.378 -5.956 1.00 52.21 H new ATOM 0 HB3 GLU A 33 10.844 3.950 -5.995 1.00 52.21 H new ATOM 0 HG2 GLU A 33 9.560 6.040 -4.726 1.00 64.45 H new ATOM 0 HG3 GLU A 33 8.641 4.659 -4.161 1.00 64.45 H new ATOM 523 N GLN A 34 11.552 5.068 -8.361 1.00 21.23 N ATOM 524 CA GLN A 34 12.425 4.701 -9.470 1.00 13.22 C ATOM 525 C GLN A 34 13.055 3.332 -9.237 1.00 3.32 C ATOM 526 O GLN A 34 13.619 3.070 -8.175 1.00 62.03 O ATOM 527 CB GLN A 34 13.518 5.755 -9.656 1.00 21.42 C ATOM 528 CG GLN A 34 13.465 6.455 -11.004 1.00 64.21 C ATOM 529 CD GLN A 34 14.810 6.475 -11.704 1.00 72.02 C ATOM 530 OE1 GLN A 34 15.850 6.661 -11.071 1.00 54.03 O ATOM 531 NE2 GLN A 34 14.796 6.283 -13.018 1.00 63.11 N ATOM 0 H GLN A 34 12.008 5.609 -7.626 1.00 21.23 H new ATOM 0 HA GLN A 34 11.820 4.652 -10.375 1.00 13.22 H new ATOM 0 HB2 GLN A 34 13.431 6.500 -8.865 1.00 21.42 H new ATOM 0 HB3 GLN A 34 14.492 5.280 -9.541 1.00 21.42 H new ATOM 0 HG2 GLN A 34 12.736 5.954 -11.641 1.00 64.21 H new ATOM 0 HG3 GLN A 34 13.117 7.478 -10.864 1.00 64.21 H new ATOM 0 HE21 GLN A 34 13.911 6.133 -13.502 1.00 63.11 H new ATOM 0 HE22 GLN A 34 15.670 6.286 -13.543 1.00 63.11 H new ATOM 540 N GLY A 35 12.955 2.462 -10.237 1.00 65.01 N ATOM 541 CA GLY A 35 13.520 1.130 -10.121 1.00 10.12 C ATOM 542 C GLY A 35 14.107 0.633 -11.427 1.00 4.22 C ATOM 543 O GLY A 35 14.962 1.291 -12.020 1.00 33.11 O ATOM 0 H GLY A 35 12.493 2.656 -11.125 1.00 65.01 H new ATOM 0 HA2 GLY A 35 14.296 1.133 -9.356 1.00 10.12 H new ATOM 0 HA3 GLY A 35 12.746 0.438 -9.788 1.00 10.12 H new ATOM 547 N GLU A 36 13.650 -0.532 -11.875 1.00 13.24 N ATOM 548 CA GLU A 36 14.138 -1.117 -13.118 1.00 1.41 C ATOM 549 C GLU A 36 14.253 -0.057 -14.210 1.00 10.44 C ATOM 550 O GLU A 36 13.284 0.634 -14.524 1.00 32.43 O ATOM 551 CB GLU A 36 13.208 -2.240 -13.579 1.00 34.41 C ATOM 552 CG GLU A 36 11.736 -1.952 -13.331 1.00 63.55 C ATOM 553 CD GLU A 36 11.177 -2.739 -12.162 1.00 55.11 C ATOM 554 OE1 GLU A 36 11.362 -3.974 -12.136 1.00 14.24 O ATOM 555 OE2 GLU A 36 10.554 -2.120 -11.274 1.00 74.32 O ATOM 0 H GLU A 36 12.943 -1.089 -11.396 1.00 13.24 H new ATOM 0 HA GLU A 36 15.129 -1.530 -12.930 1.00 1.41 H new ATOM 0 HB2 GLU A 36 13.361 -2.413 -14.644 1.00 34.41 H new ATOM 0 HB3 GLU A 36 13.481 -3.161 -13.064 1.00 34.41 H new ATOM 0 HG2 GLU A 36 11.605 -0.886 -13.143 1.00 63.55 H new ATOM 0 HG3 GLU A 36 11.167 -2.190 -14.230 1.00 63.55 H new ATOM 562 N ALA A 37 15.445 0.066 -14.783 1.00 44.54 N ATOM 563 CA ALA A 37 15.687 1.040 -15.841 1.00 5.34 C ATOM 564 C ALA A 37 14.610 0.962 -16.917 1.00 31.42 C ATOM 565 O ALA A 37 14.397 -0.089 -17.520 1.00 44.05 O ATOM 566 CB ALA A 37 17.064 0.824 -16.452 1.00 52.12 C ATOM 0 H ALA A 37 16.258 -0.496 -14.533 1.00 44.54 H new ATOM 0 HA ALA A 37 15.650 2.036 -15.399 1.00 5.34 H new ATOM 0 HB1 ALA A 37 17.231 1.558 -17.240 1.00 52.12 H new ATOM 0 HB2 ALA A 37 17.826 0.939 -15.681 1.00 52.12 H new ATOM 0 HB3 ALA A 37 17.122 -0.180 -16.873 1.00 52.12 H new ATOM 572 N GLY A 38 13.931 2.081 -17.152 1.00 24.25 N ATOM 573 CA GLY A 38 12.883 2.116 -18.155 1.00 2.25 C ATOM 574 C GLY A 38 11.497 2.041 -17.547 1.00 15.01 C ATOM 575 O GLY A 38 10.557 2.653 -18.052 1.00 15.33 O ATOM 0 H GLY A 38 14.088 2.964 -16.666 1.00 24.25 H new ATOM 0 HA2 GLY A 38 12.972 3.033 -18.737 1.00 2.25 H new ATOM 0 HA3 GLY A 38 13.018 1.285 -18.847 1.00 2.25 H new ATOM 579 N ASN A 39 11.368 1.286 -16.460 1.00 44.53 N ATOM 580 CA ASN A 39 10.085 1.131 -15.784 1.00 44.44 C ATOM 581 C ASN A 39 10.159 1.651 -14.352 1.00 12.31 C ATOM 582 O ASN A 39 11.225 2.047 -13.878 1.00 75.34 O ATOM 583 CB ASN A 39 9.660 -0.338 -15.784 1.00 72.22 C ATOM 584 CG ASN A 39 10.313 -1.129 -16.901 1.00 21.41 C ATOM 585 OD1 ASN A 39 9.720 -1.335 -17.960 1.00 44.32 O ATOM 586 ND2 ASN A 39 11.541 -1.578 -16.668 1.00 30.33 N ATOM 0 H ASN A 39 12.136 0.772 -16.029 1.00 44.53 H new ATOM 0 HA ASN A 39 9.343 1.717 -16.326 1.00 44.44 H new ATOM 0 HB2 ASN A 39 9.918 -0.788 -14.825 1.00 72.22 H new ATOM 0 HB3 ASN A 39 8.576 -0.400 -15.884 1.00 72.22 H new ATOM 0 HD21 ASN A 39 12.031 -2.117 -17.382 1.00 30.33 H new ATOM 0 HD22 ASN A 39 11.994 -1.383 -15.775 1.00 30.33 H new ATOM 593 N ILE A 40 9.020 1.647 -13.668 1.00 31.03 N ATOM 594 CA ILE A 40 8.956 2.116 -12.289 1.00 54.42 C ATOM 595 C ILE A 40 8.153 1.156 -11.418 1.00 71.13 C ATOM 596 O ILE A 40 7.455 0.277 -11.925 1.00 22.31 O ATOM 597 CB ILE A 40 8.326 3.519 -12.201 1.00 45.40 C ATOM 598 CG1 ILE A 40 7.099 3.610 -13.110 1.00 62.13 C ATOM 599 CG2 ILE A 40 9.349 4.583 -12.574 1.00 74.44 C ATOM 600 CD1 ILE A 40 6.453 4.978 -13.119 1.00 22.31 C ATOM 0 H ILE A 40 8.129 1.324 -14.046 1.00 31.03 H new ATOM 0 HA ILE A 40 9.982 2.163 -11.924 1.00 54.42 H new ATOM 0 HB ILE A 40 8.006 3.694 -11.174 1.00 45.40 H new ATOM 0 HG12 ILE A 40 7.390 3.348 -14.127 1.00 62.13 H new ATOM 0 HG13 ILE A 40 6.364 2.872 -12.789 1.00 62.13 H new ATOM 0 HG21 ILE A 40 8.889 5.569 -12.507 1.00 74.44 H new ATOM 0 HG22 ILE A 40 10.195 4.530 -11.889 1.00 74.44 H new ATOM 0 HG23 ILE A 40 9.696 4.413 -13.593 1.00 74.44 H new ATOM 0 HD11 ILE A 40 5.590 4.968 -13.785 1.00 22.31 H new ATOM 0 HD12 ILE A 40 6.130 5.235 -12.110 1.00 22.31 H new ATOM 0 HD13 ILE A 40 7.173 5.718 -13.469 1.00 22.31 H new ATOM 612 N HIS A 41 8.255 1.331 -10.105 1.00 30.05 N ATOM 613 CA HIS A 41 7.536 0.481 -9.162 1.00 3.01 C ATOM 614 C HIS A 41 6.697 1.321 -8.204 1.00 32.10 C ATOM 615 O HIS A 41 7.005 2.486 -7.950 1.00 72.33 O ATOM 616 CB HIS A 41 8.518 -0.385 -8.373 1.00 23.25 C ATOM 617 CG HIS A 41 9.756 0.345 -7.950 1.00 53.31 C ATOM 618 ND1 HIS A 41 10.975 -0.276 -7.779 1.00 51.21 N ATOM 619 CD2 HIS A 41 9.958 1.653 -7.665 1.00 41.05 C ATOM 620 CE1 HIS A 41 11.873 0.618 -7.406 1.00 23.01 C ATOM 621 NE2 HIS A 41 11.282 1.797 -7.330 1.00 31.40 N ATOM 0 H HIS A 41 8.828 2.053 -9.669 1.00 30.05 H new ATOM 0 HA HIS A 41 6.868 -0.166 -9.730 1.00 3.01 H new ATOM 0 HB2 HIS A 41 8.016 -0.774 -7.488 1.00 23.25 H new ATOM 0 HB3 HIS A 41 8.803 -1.243 -8.982 1.00 23.25 H new ATOM 0 HD1 HIS A 41 11.155 -1.270 -7.919 1.00 51.21 H new ATOM 0 HD2 HIS A 41 9.216 2.437 -7.695 1.00 41.05 H new ATOM 0 HE1 HIS A 41 12.914 0.419 -7.198 1.00 23.01 H new ATOM 629 N PHE A 42 5.635 0.722 -7.675 1.00 55.44 N ATOM 630 CA PHE A 42 4.749 1.416 -6.747 1.00 25.12 C ATOM 631 C PHE A 42 4.984 0.942 -5.315 1.00 75.45 C ATOM 632 O PHE A 42 5.218 -0.242 -5.074 1.00 44.01 O ATOM 633 CB PHE A 42 3.287 1.191 -7.138 1.00 65.30 C ATOM 634 CG PHE A 42 2.816 2.096 -8.240 1.00 34.21 C ATOM 635 CD1 PHE A 42 3.629 2.367 -9.328 1.00 4.11 C ATOM 636 CD2 PHE A 42 1.558 2.676 -8.187 1.00 62.43 C ATOM 637 CE1 PHE A 42 3.198 3.199 -10.344 1.00 0.32 C ATOM 638 CE2 PHE A 42 1.121 3.508 -9.200 1.00 44.23 C ATOM 639 CZ PHE A 42 1.943 3.771 -10.279 1.00 53.32 C ATOM 0 H PHE A 42 5.367 -0.242 -7.873 1.00 55.44 H new ATOM 0 HA PHE A 42 4.971 2.482 -6.800 1.00 25.12 H new ATOM 0 HB2 PHE A 42 3.158 0.154 -7.450 1.00 65.30 H new ATOM 0 HB3 PHE A 42 2.657 1.341 -6.261 1.00 65.30 H new ATOM 0 HD1 PHE A 42 4.612 1.923 -9.383 1.00 4.11 H new ATOM 0 HD2 PHE A 42 0.912 2.475 -7.345 1.00 62.43 H new ATOM 0 HE1 PHE A 42 3.842 3.401 -11.187 1.00 0.32 H new ATOM 0 HE2 PHE A 42 0.138 3.952 -9.148 1.00 44.23 H new ATOM 0 HZ PHE A 42 1.604 4.423 -11.070 1.00 53.32 H new ATOM 649 N GLN A 43 4.918 1.875 -4.371 1.00 71.32 N ATOM 650 CA GLN A 43 5.124 1.552 -2.964 1.00 52.51 C ATOM 651 C GLN A 43 4.254 2.432 -2.071 1.00 62.25 C ATOM 652 O GLN A 43 4.021 3.601 -2.373 1.00 51.42 O ATOM 653 CB GLN A 43 6.597 1.724 -2.590 1.00 10.41 C ATOM 654 CG GLN A 43 7.325 0.409 -2.363 1.00 54.12 C ATOM 655 CD GLN A 43 8.747 0.431 -2.887 1.00 50.22 C ATOM 656 OE1 GLN A 43 9.706 0.431 -2.114 1.00 74.13 O ATOM 657 NE2 GLN A 43 8.892 0.450 -4.207 1.00 53.30 N ATOM 0 H GLN A 43 4.724 2.859 -4.554 1.00 71.32 H new ATOM 0 HA GLN A 43 4.837 0.512 -2.810 1.00 52.51 H new ATOM 0 HB2 GLN A 43 7.102 2.277 -3.382 1.00 10.41 H new ATOM 0 HB3 GLN A 43 6.665 2.328 -1.685 1.00 10.41 H new ATOM 0 HG2 GLN A 43 7.338 0.185 -1.296 1.00 54.12 H new ATOM 0 HG3 GLN A 43 6.775 -0.395 -2.851 1.00 54.12 H new ATOM 0 HE21 GLN A 43 8.070 0.449 -4.810 1.00 53.30 H new ATOM 0 HE22 GLN A 43 9.826 0.465 -4.617 1.00 53.30 H new ATOM 666 N GLY A 44 3.777 1.860 -0.970 1.00 75.23 N ATOM 667 CA GLY A 44 2.937 2.606 -0.051 1.00 63.00 C ATOM 668 C GLY A 44 2.247 1.712 0.960 1.00 62.10 C ATOM 669 O GLY A 44 2.566 0.528 1.072 1.00 61.01 O ATOM 0 H GLY A 44 3.957 0.894 -0.698 1.00 75.23 H new ATOM 0 HA2 GLY A 44 3.544 3.343 0.475 1.00 63.00 H new ATOM 0 HA3 GLY A 44 2.186 3.157 -0.616 1.00 63.00 H new ATOM 673 N TYR A 45 1.300 2.279 1.699 1.00 23.32 N ATOM 674 CA TYR A 45 0.566 1.526 2.709 1.00 21.03 C ATOM 675 C TYR A 45 -0.936 1.585 2.448 1.00 62.43 C ATOM 676 O TYR A 45 -1.464 2.615 2.029 1.00 33.02 O ATOM 677 CB TYR A 45 0.874 2.071 4.105 1.00 34.32 C ATOM 678 CG TYR A 45 0.827 3.580 4.190 1.00 32.41 C ATOM 679 CD1 TYR A 45 1.938 4.348 3.867 1.00 40.23 C ATOM 680 CD2 TYR A 45 -0.329 4.237 4.593 1.00 34.30 C ATOM 681 CE1 TYR A 45 1.900 5.727 3.944 1.00 71.03 C ATOM 682 CE2 TYR A 45 -0.377 5.615 4.671 1.00 11.15 C ATOM 683 CZ TYR A 45 0.740 6.356 4.346 1.00 21.33 C ATOM 684 OH TYR A 45 0.698 7.729 4.423 1.00 54.01 O ATOM 0 H TYR A 45 1.023 3.257 1.618 1.00 23.32 H new ATOM 0 HA TYR A 45 0.885 0.485 2.653 1.00 21.03 H new ATOM 0 HB2 TYR A 45 0.160 1.653 4.815 1.00 34.32 H new ATOM 0 HB3 TYR A 45 1.863 1.729 4.409 1.00 34.32 H new ATOM 0 HD1 TYR A 45 2.847 3.859 3.550 1.00 40.23 H new ATOM 0 HD2 TYR A 45 -1.205 3.660 4.850 1.00 34.30 H new ATOM 0 HE1 TYR A 45 2.774 6.309 3.691 1.00 71.03 H new ATOM 0 HE2 TYR A 45 -1.284 6.110 4.985 1.00 11.15 H new ATOM 0 HH TYR A 45 -0.191 8.013 4.721 1.00 54.01 H new ATOM 694 N ILE A 46 -1.617 0.472 2.698 1.00 31.41 N ATOM 695 CA ILE A 46 -3.058 0.396 2.492 1.00 70.11 C ATOM 696 C ILE A 46 -3.756 -0.212 3.704 1.00 3.21 C ATOM 697 O ILE A 46 -3.386 -1.289 4.169 1.00 22.14 O ATOM 698 CB ILE A 46 -3.405 -0.436 1.243 1.00 30.43 C ATOM 699 CG1 ILE A 46 -2.685 0.123 0.015 1.00 64.44 C ATOM 700 CG2 ILE A 46 -4.910 -0.453 1.020 1.00 62.54 C ATOM 701 CD1 ILE A 46 -2.738 -0.795 -1.187 1.00 24.45 C ATOM 0 H ILE A 46 -1.194 -0.390 3.043 1.00 31.41 H new ATOM 0 HA ILE A 46 -3.410 1.417 2.348 1.00 70.11 H new ATOM 0 HB ILE A 46 -3.069 -1.461 1.402 1.00 30.43 H new ATOM 0 HG12 ILE A 46 -3.129 1.082 -0.251 1.00 64.44 H new ATOM 0 HG13 ILE A 46 -1.643 0.314 0.271 1.00 64.44 H new ATOM 0 HG21 ILE A 46 -5.140 -1.045 0.134 1.00 62.54 H new ATOM 0 HG22 ILE A 46 -5.401 -0.893 1.888 1.00 62.54 H new ATOM 0 HG23 ILE A 46 -5.268 0.567 0.878 1.00 62.54 H new ATOM 0 HD11 ILE A 46 -2.207 -0.334 -2.020 1.00 24.45 H new ATOM 0 HD12 ILE A 46 -2.268 -1.747 -0.939 1.00 24.45 H new ATOM 0 HD13 ILE A 46 -3.777 -0.966 -1.469 1.00 24.45 H new ATOM 713 N GLU A 47 -4.768 0.486 4.209 1.00 1.52 N ATOM 714 CA GLU A 47 -5.518 0.014 5.367 1.00 52.30 C ATOM 715 C GLU A 47 -6.860 -0.576 4.942 1.00 1.52 C ATOM 716 O GLU A 47 -7.701 0.117 4.370 1.00 63.04 O ATOM 717 CB GLU A 47 -5.742 1.158 6.358 1.00 14.13 C ATOM 718 CG GLU A 47 -4.504 2.005 6.600 1.00 15.33 C ATOM 719 CD GLU A 47 -4.198 2.183 8.075 1.00 71.23 C ATOM 720 OE1 GLU A 47 -3.924 1.169 8.751 1.00 50.44 O ATOM 721 OE2 GLU A 47 -4.232 3.336 8.552 1.00 14.34 O ATOM 0 H GLU A 47 -5.087 1.380 3.835 1.00 1.52 H new ATOM 0 HA GLU A 47 -4.934 -0.768 5.852 1.00 52.30 H new ATOM 0 HB2 GLU A 47 -6.543 1.798 5.987 1.00 14.13 H new ATOM 0 HB3 GLU A 47 -6.080 0.744 7.308 1.00 14.13 H new ATOM 0 HG2 GLU A 47 -3.649 1.541 6.109 1.00 15.33 H new ATOM 0 HG3 GLU A 47 -4.643 2.984 6.141 1.00 15.33 H new ATOM 728 N MET A 48 -7.052 -1.859 5.227 1.00 62.43 N ATOM 729 CA MET A 48 -8.291 -2.543 4.875 1.00 52.21 C ATOM 730 C MET A 48 -9.386 -2.241 5.893 1.00 32.20 C ATOM 731 O MET A 48 -9.169 -1.503 6.854 1.00 24.11 O ATOM 732 CB MET A 48 -8.060 -4.053 4.790 1.00 44.43 C ATOM 733 CG MET A 48 -7.178 -4.467 3.623 1.00 22.30 C ATOM 734 SD MET A 48 -8.093 -5.336 2.335 1.00 50.42 S ATOM 735 CE MET A 48 -8.713 -3.958 1.372 1.00 5.14 C ATOM 0 H MET A 48 -6.366 -2.446 5.701 1.00 62.43 H new ATOM 0 HA MET A 48 -8.614 -2.177 3.900 1.00 52.21 H new ATOM 0 HB2 MET A 48 -7.604 -4.396 5.719 1.00 44.43 H new ATOM 0 HB3 MET A 48 -9.023 -4.556 4.703 1.00 44.43 H new ATOM 0 HG2 MET A 48 -6.709 -3.581 3.195 1.00 22.30 H new ATOM 0 HG3 MET A 48 -6.376 -5.108 3.988 1.00 22.30 H new ATOM 0 HE1 MET A 48 -9.783 -3.844 1.546 1.00 5.14 H new ATOM 0 HE2 MET A 48 -8.198 -3.045 1.670 1.00 5.14 H new ATOM 0 HE3 MET A 48 -8.536 -4.145 0.313 1.00 5.14 H new ATOM 745 N LYS A 49 -10.564 -2.816 5.676 1.00 32.31 N ATOM 746 CA LYS A 49 -11.694 -2.610 6.575 1.00 62.42 C ATOM 747 C LYS A 49 -11.324 -2.981 8.007 1.00 1.14 C ATOM 748 O LYS A 49 -11.364 -2.141 8.907 1.00 23.31 O ATOM 749 CB LYS A 49 -12.895 -3.440 6.116 1.00 21.40 C ATOM 750 CG LYS A 49 -14.185 -2.644 6.023 1.00 1.13 C ATOM 751 CD LYS A 49 -15.205 -3.336 5.135 1.00 60.01 C ATOM 752 CE LYS A 49 -16.452 -2.485 4.951 1.00 33.31 C ATOM 753 NZ LYS A 49 -17.670 -3.321 4.761 1.00 53.42 N ATOM 0 H LYS A 49 -10.761 -3.429 4.885 1.00 32.31 H new ATOM 0 HA LYS A 49 -11.959 -1.553 6.549 1.00 62.42 H new ATOM 0 HB2 LYS A 49 -12.675 -3.874 5.141 1.00 21.40 H new ATOM 0 HB3 LYS A 49 -13.039 -4.269 6.809 1.00 21.40 H new ATOM 0 HG2 LYS A 49 -14.603 -2.508 7.021 1.00 1.13 H new ATOM 0 HG3 LYS A 49 -13.973 -1.650 5.629 1.00 1.13 H new ATOM 0 HD2 LYS A 49 -14.760 -3.546 4.163 1.00 60.01 H new ATOM 0 HD3 LYS A 49 -15.479 -4.295 5.574 1.00 60.01 H new ATOM 0 HE2 LYS A 49 -16.585 -1.842 5.821 1.00 33.31 H new ATOM 0 HE3 LYS A 49 -16.322 -1.831 4.089 1.00 33.31 H new ATOM 0 HZ1 LYS A 49 -18.499 -2.705 4.639 1.00 53.42 H new ATOM 0 HZ2 LYS A 49 -17.554 -3.916 3.916 1.00 53.42 H new ATOM 0 HZ3 LYS A 49 -17.809 -3.927 5.595 1.00 53.42 H new ATOM 767 N LYS A 50 -10.962 -4.243 8.213 1.00 55.12 N ATOM 768 CA LYS A 50 -10.582 -4.725 9.535 1.00 12.13 C ATOM 769 C LYS A 50 -10.208 -6.203 9.489 1.00 14.00 C ATOM 770 O LYS A 50 -9.034 -6.559 9.587 1.00 60.15 O ATOM 771 CB LYS A 50 -11.727 -4.508 10.528 1.00 25.22 C ATOM 772 CG LYS A 50 -11.414 -3.481 11.602 1.00 43.50 C ATOM 773 CD LYS A 50 -12.653 -3.113 12.400 1.00 32.23 C ATOM 774 CE LYS A 50 -12.968 -1.629 12.290 1.00 61.24 C ATOM 775 NZ LYS A 50 -13.898 -1.178 13.361 1.00 32.03 N ATOM 0 H LYS A 50 -10.924 -4.951 7.480 1.00 55.12 H new ATOM 0 HA LYS A 50 -9.711 -4.158 9.864 1.00 12.13 H new ATOM 0 HB2 LYS A 50 -12.615 -4.191 9.982 1.00 25.22 H new ATOM 0 HB3 LYS A 50 -11.968 -5.458 11.005 1.00 25.22 H new ATOM 0 HG2 LYS A 50 -10.652 -3.876 12.274 1.00 43.50 H new ATOM 0 HG3 LYS A 50 -10.998 -2.585 11.140 1.00 43.50 H new ATOM 0 HD2 LYS A 50 -13.503 -3.694 12.042 1.00 32.23 H new ATOM 0 HD3 LYS A 50 -12.504 -3.378 13.447 1.00 32.23 H new ATOM 0 HE2 LYS A 50 -12.042 -1.056 12.348 1.00 61.24 H new ATOM 0 HE3 LYS A 50 -13.410 -1.423 11.315 1.00 61.24 H new ATOM 0 HZ1 LYS A 50 -14.087 -0.161 13.251 1.00 32.03 H new ATOM 0 HZ2 LYS A 50 -14.791 -1.706 13.290 1.00 32.03 H new ATOM 0 HZ3 LYS A 50 -13.466 -1.351 14.291 1.00 32.03 H new ATOM 789 N ARG A 51 -11.214 -7.059 9.338 1.00 11.44 N ATOM 790 CA ARG A 51 -10.990 -8.498 9.279 1.00 72.02 C ATOM 791 C ARG A 51 -10.719 -8.947 7.846 1.00 62.11 C ATOM 792 O ARG A 51 -11.326 -9.900 7.356 1.00 21.34 O ATOM 793 CB ARG A 51 -12.200 -9.248 9.839 1.00 54.41 C ATOM 794 CG ARG A 51 -11.898 -10.684 10.232 1.00 75.41 C ATOM 795 CD ARG A 51 -12.238 -10.946 11.691 1.00 73.12 C ATOM 796 NE ARG A 51 -11.219 -10.418 12.593 1.00 24.55 N ATOM 797 CZ ARG A 51 -11.268 -10.548 13.915 1.00 75.04 C ATOM 798 NH1 ARG A 51 -12.283 -11.185 14.484 1.00 44.23 N ATOM 799 NH2 ARG A 51 -10.302 -10.040 14.669 1.00 32.41 N ATOM 0 H ARG A 51 -12.192 -6.780 9.254 1.00 11.44 H new ATOM 0 HA ARG A 51 -10.115 -8.729 9.886 1.00 72.02 H new ATOM 0 HB2 ARG A 51 -12.577 -8.713 10.711 1.00 54.41 H new ATOM 0 HB3 ARG A 51 -12.996 -9.244 9.094 1.00 54.41 H new ATOM 0 HG2 ARG A 51 -12.467 -11.363 9.597 1.00 75.41 H new ATOM 0 HG3 ARG A 51 -10.843 -10.895 10.060 1.00 75.41 H new ATOM 0 HD2 ARG A 51 -13.201 -10.492 11.926 1.00 73.12 H new ATOM 0 HD3 ARG A 51 -12.344 -12.019 11.852 1.00 73.12 H new ATOM 0 HE ARG A 51 -10.426 -9.922 12.187 1.00 24.55 H new ATOM 0 HH11 ARG A 51 -13.028 -11.576 13.907 1.00 44.23 H new ATOM 0 HH12 ARG A 51 -12.319 -11.284 15.499 1.00 44.23 H new ATOM 0 HH21 ARG A 51 -9.521 -9.549 14.234 1.00 32.41 H new ATOM 0 HH22 ARG A 51 -10.341 -10.140 15.683 1.00 32.41 H new ATOM 813 N THR A 52 -9.803 -8.254 7.177 1.00 4.42 N ATOM 814 CA THR A 52 -9.452 -8.579 5.801 1.00 61.24 C ATOM 815 C THR A 52 -8.019 -9.091 5.704 1.00 11.55 C ATOM 816 O THR A 52 -7.069 -8.360 5.986 1.00 60.14 O ATOM 817 CB THR A 52 -9.612 -7.358 4.876 1.00 0.51 C ATOM 818 OG1 THR A 52 -10.508 -6.410 5.468 1.00 45.44 O ATOM 819 CG2 THR A 52 -10.138 -7.777 3.512 1.00 41.34 C ATOM 0 H THR A 52 -9.290 -7.463 7.567 1.00 4.42 H new ATOM 0 HA THR A 52 -10.137 -9.363 5.478 1.00 61.24 H new ATOM 0 HB THR A 52 -8.632 -6.899 4.744 1.00 0.51 H new ATOM 0 HG1 THR A 52 -10.854 -5.810 4.775 1.00 45.44 H new ATOM 0 HG21 THR A 52 -10.243 -6.898 2.877 1.00 41.34 H new ATOM 0 HG22 THR A 52 -9.440 -8.476 3.052 1.00 41.34 H new ATOM 0 HG23 THR A 52 -11.109 -8.258 3.629 1.00 41.34 H new ATOM 827 N SER A 53 -7.870 -10.350 5.305 1.00 15.40 N ATOM 828 CA SER A 53 -6.552 -10.960 5.175 1.00 55.32 C ATOM 829 C SER A 53 -5.880 -10.529 3.875 1.00 54.33 C ATOM 830 O SER A 53 -6.449 -9.768 3.091 1.00 51.34 O ATOM 831 CB SER A 53 -6.666 -12.485 5.222 1.00 12.42 C ATOM 832 OG SER A 53 -7.858 -12.927 4.595 1.00 5.11 O ATOM 0 H SER A 53 -8.646 -10.968 5.066 1.00 15.40 H new ATOM 0 HA SER A 53 -5.938 -10.622 6.010 1.00 55.32 H new ATOM 0 HB2 SER A 53 -5.804 -12.933 4.728 1.00 12.42 H new ATOM 0 HB3 SER A 53 -6.650 -12.822 6.258 1.00 12.42 H new ATOM 0 HG SER A 53 -7.906 -13.905 4.637 1.00 5.11 H new ATOM 838 N LEU A 54 -4.666 -11.020 3.653 1.00 74.23 N ATOM 839 CA LEU A 54 -3.915 -10.687 2.448 1.00 44.13 C ATOM 840 C LEU A 54 -4.747 -10.949 1.197 1.00 62.43 C ATOM 841 O LEU A 54 -4.586 -10.276 0.179 1.00 4.14 O ATOM 842 CB LEU A 54 -2.618 -11.497 2.391 1.00 34.12 C ATOM 843 CG LEU A 54 -1.738 -11.270 1.162 1.00 72.34 C ATOM 844 CD1 LEU A 54 -1.392 -9.796 1.017 1.00 33.43 C ATOM 845 CD2 LEU A 54 -0.473 -12.111 1.249 1.00 3.11 C ATOM 0 H LEU A 54 -4.181 -11.650 4.292 1.00 74.23 H new ATOM 0 HA LEU A 54 -3.672 -9.625 2.484 1.00 44.13 H new ATOM 0 HB2 LEU A 54 -2.031 -11.268 3.280 1.00 34.12 H new ATOM 0 HB3 LEU A 54 -2.872 -12.556 2.440 1.00 34.12 H new ATOM 0 HG LEU A 54 -2.296 -11.579 0.278 1.00 72.34 H new ATOM 0 HD11 LEU A 54 -0.765 -9.654 0.137 1.00 33.43 H new ATOM 0 HD12 LEU A 54 -2.308 -9.216 0.907 1.00 33.43 H new ATOM 0 HD13 LEU A 54 -0.854 -9.460 1.903 1.00 33.43 H new ATOM 0 HD21 LEU A 54 0.141 -11.937 0.366 1.00 3.11 H new ATOM 0 HD22 LEU A 54 0.088 -11.833 2.142 1.00 3.11 H new ATOM 0 HD23 LEU A 54 -0.741 -13.166 1.302 1.00 3.11 H new ATOM 857 N ALA A 55 -5.638 -11.931 1.281 1.00 73.44 N ATOM 858 CA ALA A 55 -6.499 -12.280 0.157 1.00 41.11 C ATOM 859 C ALA A 55 -7.266 -11.062 -0.346 1.00 11.45 C ATOM 860 O ALA A 55 -7.541 -10.937 -1.538 1.00 64.23 O ATOM 861 CB ALA A 55 -7.464 -13.387 0.555 1.00 51.32 C ATOM 0 H ALA A 55 -5.783 -12.499 2.116 1.00 73.44 H new ATOM 0 HA ALA A 55 -5.867 -12.639 -0.655 1.00 41.11 H new ATOM 0 HB1 ALA A 55 -8.101 -13.637 -0.294 1.00 51.32 H new ATOM 0 HB2 ALA A 55 -6.900 -14.269 0.859 1.00 51.32 H new ATOM 0 HB3 ALA A 55 -8.083 -13.049 1.386 1.00 51.32 H new ATOM 867 N GLY A 56 -7.611 -10.164 0.573 1.00 24.44 N ATOM 868 CA GLY A 56 -8.344 -8.968 0.204 1.00 50.14 C ATOM 869 C GLY A 56 -7.492 -7.982 -0.571 1.00 73.02 C ATOM 870 O GLY A 56 -7.950 -7.391 -1.548 1.00 42.55 O ATOM 0 H GLY A 56 -7.395 -10.244 1.567 1.00 24.44 H new ATOM 0 HA2 GLY A 56 -9.209 -9.247 -0.397 1.00 50.14 H new ATOM 0 HA3 GLY A 56 -8.724 -8.486 1.105 1.00 50.14 H new ATOM 874 N MET A 57 -6.250 -7.803 -0.133 1.00 73.42 N ATOM 875 CA MET A 57 -5.333 -6.881 -0.793 1.00 20.42 C ATOM 876 C MET A 57 -4.871 -7.441 -2.134 1.00 64.22 C ATOM 877 O MET A 57 -4.905 -6.750 -3.152 1.00 41.24 O ATOM 878 CB MET A 57 -4.123 -6.605 0.102 1.00 52.31 C ATOM 879 CG MET A 57 -4.461 -5.809 1.352 1.00 33.12 C ATOM 880 SD MET A 57 -4.272 -4.032 1.117 1.00 41.52 S ATOM 881 CE MET A 57 -5.762 -3.651 0.198 1.00 24.01 C ATOM 0 H MET A 57 -5.856 -8.284 0.676 1.00 73.42 H new ATOM 0 HA MET A 57 -5.864 -5.946 -0.973 1.00 20.42 H new ATOM 0 HB2 MET A 57 -3.675 -7.554 0.396 1.00 52.31 H new ATOM 0 HB3 MET A 57 -3.373 -6.062 -0.473 1.00 52.31 H new ATOM 0 HG2 MET A 57 -5.487 -6.025 1.649 1.00 33.12 H new ATOM 0 HG3 MET A 57 -3.818 -6.134 2.170 1.00 33.12 H new ATOM 0 HE1 MET A 57 -5.495 -3.309 -0.802 1.00 24.01 H new ATOM 0 HE2 MET A 57 -6.382 -4.545 0.123 1.00 24.01 H new ATOM 0 HE3 MET A 57 -6.317 -2.867 0.713 1.00 24.01 H new ATOM 891 N LYS A 58 -4.438 -8.697 -2.128 1.00 63.45 N ATOM 892 CA LYS A 58 -3.969 -9.351 -3.345 1.00 21.35 C ATOM 893 C LYS A 58 -5.050 -9.337 -4.421 1.00 24.41 C ATOM 894 O LYS A 58 -4.751 -9.288 -5.614 1.00 73.44 O ATOM 895 CB LYS A 58 -3.551 -10.793 -3.045 1.00 14.34 C ATOM 896 CG LYS A 58 -4.723 -11.749 -2.903 1.00 53.42 C ATOM 897 CD LYS A 58 -4.255 -13.166 -2.621 1.00 35.43 C ATOM 898 CE LYS A 58 -3.444 -13.240 -1.336 1.00 73.12 C ATOM 899 NZ LYS A 58 -3.567 -14.570 -0.678 1.00 70.43 N ATOM 0 H LYS A 58 -4.402 -9.283 -1.294 1.00 63.45 H new ATOM 0 HA LYS A 58 -3.105 -8.798 -3.715 1.00 21.35 H new ATOM 0 HB2 LYS A 58 -2.899 -11.147 -3.843 1.00 14.34 H new ATOM 0 HB3 LYS A 58 -2.966 -10.809 -2.125 1.00 14.34 H new ATOM 0 HG2 LYS A 58 -5.373 -11.412 -2.095 1.00 53.42 H new ATOM 0 HG3 LYS A 58 -5.317 -11.736 -3.817 1.00 53.42 H new ATOM 0 HD2 LYS A 58 -5.118 -13.827 -2.546 1.00 35.43 H new ATOM 0 HD3 LYS A 58 -3.651 -13.524 -3.455 1.00 35.43 H new ATOM 0 HE2 LYS A 58 -2.396 -13.039 -1.556 1.00 73.12 H new ATOM 0 HE3 LYS A 58 -3.780 -12.463 -0.649 1.00 73.12 H new ATOM 0 HZ1 LYS A 58 -3.000 -14.580 0.194 1.00 70.43 H new ATOM 0 HZ2 LYS A 58 -4.564 -14.751 -0.444 1.00 70.43 H new ATOM 0 HZ3 LYS A 58 -3.223 -15.310 -1.323 1.00 70.43 H new ATOM 913 N LYS A 59 -6.306 -9.380 -3.992 1.00 14.53 N ATOM 914 CA LYS A 59 -7.432 -9.369 -4.918 1.00 15.02 C ATOM 915 C LYS A 59 -7.383 -8.141 -5.821 1.00 44.20 C ATOM 916 O LYS A 59 -7.806 -8.190 -6.977 1.00 0.13 O ATOM 917 CB LYS A 59 -8.754 -9.395 -4.146 1.00 40.45 C ATOM 918 CG LYS A 59 -9.556 -10.668 -4.355 1.00 44.34 C ATOM 919 CD LYS A 59 -10.959 -10.542 -3.787 1.00 32.40 C ATOM 920 CE LYS A 59 -11.981 -11.247 -4.666 1.00 54.40 C ATOM 921 NZ LYS A 59 -13.007 -10.302 -5.189 1.00 73.42 N ATOM 0 H LYS A 59 -6.570 -9.423 -3.008 1.00 14.53 H new ATOM 0 HA LYS A 59 -7.365 -10.260 -5.542 1.00 15.02 H new ATOM 0 HB2 LYS A 59 -8.546 -9.277 -3.082 1.00 40.45 H new ATOM 0 HB3 LYS A 59 -9.359 -8.541 -4.449 1.00 40.45 H new ATOM 0 HG2 LYS A 59 -9.612 -10.893 -5.420 1.00 44.34 H new ATOM 0 HG3 LYS A 59 -9.044 -11.504 -3.879 1.00 44.34 H new ATOM 0 HD2 LYS A 59 -10.986 -10.967 -2.783 1.00 32.40 H new ATOM 0 HD3 LYS A 59 -11.222 -9.488 -3.695 1.00 32.40 H new ATOM 0 HE2 LYS A 59 -11.472 -11.729 -5.501 1.00 54.40 H new ATOM 0 HE3 LYS A 59 -12.471 -12.035 -4.094 1.00 54.40 H new ATOM 0 HZ1 LYS A 59 -13.685 -10.820 -5.783 1.00 73.42 H new ATOM 0 HZ2 LYS A 59 -13.510 -9.861 -4.393 1.00 73.42 H new ATOM 0 HZ3 LYS A 59 -12.543 -9.564 -5.756 1.00 73.42 H new ATOM 935 N LEU A 60 -6.862 -7.041 -5.288 1.00 61.01 N ATOM 936 CA LEU A 60 -6.755 -5.800 -6.047 1.00 11.30 C ATOM 937 C LEU A 60 -5.528 -5.819 -6.953 1.00 30.12 C ATOM 938 O LEU A 60 -5.571 -5.331 -8.083 1.00 22.34 O ATOM 939 CB LEU A 60 -6.683 -4.603 -5.097 1.00 52.21 C ATOM 940 CG LEU A 60 -8.005 -4.168 -4.464 1.00 33.22 C ATOM 941 CD1 LEU A 60 -8.344 -5.053 -3.274 1.00 61.34 C ATOM 942 CD2 LEU A 60 -7.940 -2.707 -4.042 1.00 60.43 C ATOM 0 H LEU A 60 -6.507 -6.983 -4.333 1.00 61.01 H new ATOM 0 HA LEU A 60 -7.643 -5.708 -6.672 1.00 11.30 H new ATOM 0 HB2 LEU A 60 -5.981 -4.841 -4.297 1.00 52.21 H new ATOM 0 HB3 LEU A 60 -6.269 -3.756 -5.643 1.00 52.21 H new ATOM 0 HG LEU A 60 -8.794 -4.276 -5.208 1.00 33.22 H new ATOM 0 HD11 LEU A 60 -9.288 -4.728 -2.836 1.00 61.34 H new ATOM 0 HD12 LEU A 60 -8.434 -6.088 -3.604 1.00 61.34 H new ATOM 0 HD13 LEU A 60 -7.553 -4.978 -2.528 1.00 61.34 H new ATOM 0 HD21 LEU A 60 -8.890 -2.415 -3.594 1.00 60.43 H new ATOM 0 HD22 LEU A 60 -7.139 -2.574 -3.315 1.00 60.43 H new ATOM 0 HD23 LEU A 60 -7.745 -2.084 -4.915 1.00 60.43 H new ATOM 954 N ILE A 61 -4.437 -6.387 -6.450 1.00 71.22 N ATOM 955 CA ILE A 61 -3.199 -6.473 -7.215 1.00 55.14 C ATOM 956 C ILE A 61 -2.538 -7.836 -7.040 1.00 51.32 C ATOM 957 O ILE A 61 -1.555 -7.988 -6.314 1.00 55.21 O ATOM 958 CB ILE A 61 -2.203 -5.374 -6.800 1.00 34.20 C ATOM 959 CG1 ILE A 61 -2.844 -3.993 -6.947 1.00 11.50 C ATOM 960 CG2 ILE A 61 -0.934 -5.467 -7.634 1.00 33.02 C ATOM 961 CD1 ILE A 61 -3.441 -3.463 -5.662 1.00 25.24 C ATOM 0 H ILE A 61 -4.385 -6.794 -5.516 1.00 71.22 H new ATOM 0 HA ILE A 61 -3.465 -6.333 -8.263 1.00 55.14 H new ATOM 0 HB ILE A 61 -1.938 -5.521 -5.753 1.00 34.20 H new ATOM 0 HG12 ILE A 61 -2.093 -3.289 -7.306 1.00 11.50 H new ATOM 0 HG13 ILE A 61 -3.624 -4.043 -7.707 1.00 11.50 H new ATOM 0 HG21 ILE A 61 -0.240 -4.684 -7.329 1.00 33.02 H new ATOM 0 HG22 ILE A 61 -0.470 -6.442 -7.483 1.00 33.02 H new ATOM 0 HG23 ILE A 61 -1.181 -5.342 -8.688 1.00 33.02 H new ATOM 0 HD11 ILE A 61 -3.877 -2.480 -5.842 1.00 25.24 H new ATOM 0 HD12 ILE A 61 -4.215 -4.146 -5.312 1.00 25.24 H new ATOM 0 HD13 ILE A 61 -2.661 -3.381 -4.905 1.00 25.24 H new ATOM 973 N PRO A 62 -3.087 -8.852 -7.722 1.00 51.10 N ATOM 974 CA PRO A 62 -2.565 -10.220 -7.660 1.00 32.40 C ATOM 975 C PRO A 62 -1.214 -10.357 -8.352 1.00 64.24 C ATOM 976 O PRO A 62 -1.125 -10.307 -9.578 1.00 54.15 O ATOM 977 CB PRO A 62 -3.629 -11.039 -8.396 1.00 65.31 C ATOM 978 CG PRO A 62 -4.284 -10.069 -9.316 1.00 53.54 C ATOM 979 CD PRO A 62 -4.259 -8.743 -8.606 1.00 74.25 C ATOM 0 HA PRO A 62 -2.392 -10.544 -6.634 1.00 32.40 H new ATOM 0 HB2 PRO A 62 -3.181 -11.866 -8.947 1.00 65.31 H new ATOM 0 HB3 PRO A 62 -4.348 -11.471 -7.700 1.00 65.31 H new ATOM 0 HG2 PRO A 62 -3.753 -10.013 -10.266 1.00 53.54 H new ATOM 0 HG3 PRO A 62 -5.307 -10.373 -9.540 1.00 53.54 H new ATOM 0 HD2 PRO A 62 -4.158 -7.914 -9.306 1.00 74.25 H new ATOM 0 HD3 PRO A 62 -5.175 -8.573 -8.040 1.00 74.25 H new ATOM 987 N GLY A 63 -0.161 -10.531 -7.558 1.00 75.11 N ATOM 988 CA GLY A 63 1.172 -10.673 -8.113 1.00 52.23 C ATOM 989 C GLY A 63 2.136 -9.631 -7.580 1.00 34.51 C ATOM 990 O GLY A 63 2.968 -9.110 -8.321 1.00 3.44 O ATOM 0 H GLY A 63 -0.208 -10.576 -6.540 1.00 75.11 H new ATOM 0 HA2 GLY A 63 1.554 -11.668 -7.883 1.00 52.23 H new ATOM 0 HA3 GLY A 63 1.120 -10.594 -9.199 1.00 52.23 H new ATOM 994 N ALA A 64 2.022 -9.327 -6.291 1.00 72.13 N ATOM 995 CA ALA A 64 2.890 -8.342 -5.660 1.00 4.35 C ATOM 996 C ALA A 64 3.389 -8.837 -4.306 1.00 51.31 C ATOM 997 O ALA A 64 2.897 -9.835 -3.779 1.00 61.44 O ATOM 998 CB ALA A 64 2.159 -7.017 -5.502 1.00 52.13 C ATOM 0 H ALA A 64 1.337 -9.749 -5.664 1.00 72.13 H new ATOM 0 HA ALA A 64 3.756 -8.192 -6.305 1.00 4.35 H new ATOM 0 HB1 ALA A 64 2.820 -6.291 -5.029 1.00 52.13 H new ATOM 0 HB2 ALA A 64 1.858 -6.649 -6.483 1.00 52.13 H new ATOM 0 HB3 ALA A 64 1.275 -7.161 -4.881 1.00 52.13 H new ATOM 1004 N HIS A 65 4.368 -8.133 -3.748 1.00 4.43 N ATOM 1005 CA HIS A 65 4.934 -8.501 -2.455 1.00 33.25 C ATOM 1006 C HIS A 65 4.257 -7.729 -1.326 1.00 31.21 C ATOM 1007 O HIS A 65 4.418 -6.514 -1.207 1.00 73.35 O ATOM 1008 CB HIS A 65 6.439 -8.236 -2.438 1.00 64.01 C ATOM 1009 CG HIS A 65 7.172 -9.010 -1.386 1.00 3.53 C ATOM 1010 ND1 HIS A 65 8.031 -10.048 -1.676 1.00 63.34 N ATOM 1011 CD2 HIS A 65 7.172 -8.889 -0.037 1.00 61.55 C ATOM 1012 CE1 HIS A 65 8.526 -10.535 -0.552 1.00 43.04 C ATOM 1013 NE2 HIS A 65 8.021 -9.849 0.457 1.00 42.21 N ATOM 0 H HIS A 65 4.786 -7.304 -4.171 1.00 4.43 H new ATOM 0 HA HIS A 65 4.759 -9.566 -2.300 1.00 33.25 H new ATOM 0 HB2 HIS A 65 6.854 -8.484 -3.415 1.00 64.01 H new ATOM 0 HB3 HIS A 65 6.610 -7.171 -2.279 1.00 64.01 H new ATOM 0 HD2 HIS A 65 6.609 -8.172 0.542 1.00 61.55 H new ATOM 0 HE1 HIS A 65 9.225 -11.355 -0.472 1.00 43.04 H new ATOM 0 HE2 HIS A 65 8.228 -10.007 1.443 1.00 42.21 H new ATOM 1021 N PHE A 66 3.499 -8.442 -0.499 1.00 71.24 N ATOM 1022 CA PHE A 66 2.796 -7.824 0.619 1.00 40.23 C ATOM 1023 C PHE A 66 3.376 -8.290 1.951 1.00 63.03 C ATOM 1024 O PHE A 66 4.011 -9.341 2.028 1.00 22.23 O ATOM 1025 CB PHE A 66 1.303 -8.154 0.556 1.00 24.41 C ATOM 1026 CG PHE A 66 0.485 -7.102 -0.135 1.00 53.21 C ATOM 1027 CD1 PHE A 66 0.459 -7.022 -1.518 1.00 64.31 C ATOM 1028 CD2 PHE A 66 -0.259 -6.192 0.598 1.00 11.53 C ATOM 1029 CE1 PHE A 66 -0.293 -6.055 -2.157 1.00 73.14 C ATOM 1030 CE2 PHE A 66 -1.014 -5.223 -0.035 1.00 41.43 C ATOM 1031 CZ PHE A 66 -1.030 -5.153 -1.415 1.00 31.43 C ATOM 0 H PHE A 66 3.356 -9.448 -0.582 1.00 71.24 H new ATOM 0 HA PHE A 66 2.925 -6.744 0.545 1.00 40.23 H new ATOM 0 HB2 PHE A 66 1.171 -9.104 0.038 1.00 24.41 H new ATOM 0 HB3 PHE A 66 0.926 -8.288 1.570 1.00 24.41 H new ATOM 0 HD1 PHE A 66 1.034 -7.724 -2.104 1.00 64.31 H new ATOM 0 HD2 PHE A 66 -0.249 -6.240 1.677 1.00 11.53 H new ATOM 0 HE1 PHE A 66 -0.304 -6.005 -3.236 1.00 73.14 H new ATOM 0 HE2 PHE A 66 -1.591 -4.521 0.548 1.00 41.43 H new ATOM 0 HZ PHE A 66 -1.617 -4.395 -1.912 1.00 31.43 H new ATOM 1041 N GLU A 67 3.153 -7.499 2.996 1.00 65.22 N ATOM 1042 CA GLU A 67 3.656 -7.830 4.324 1.00 35.32 C ATOM 1043 C GLU A 67 2.760 -7.237 5.408 1.00 52.22 C ATOM 1044 O GLU A 67 2.695 -6.019 5.578 1.00 21.22 O ATOM 1045 CB GLU A 67 5.088 -7.319 4.494 1.00 33.24 C ATOM 1046 CG GLU A 67 6.132 -8.423 4.490 1.00 43.42 C ATOM 1047 CD GLU A 67 7.309 -8.116 5.396 1.00 51.23 C ATOM 1048 OE1 GLU A 67 7.826 -6.981 5.332 1.00 40.35 O ATOM 1049 OE2 GLU A 67 7.713 -9.010 6.168 1.00 12.11 O ATOM 0 H GLU A 67 2.628 -6.626 2.949 1.00 65.22 H new ATOM 0 HA GLU A 67 3.651 -8.915 4.426 1.00 35.32 H new ATOM 0 HB2 GLU A 67 5.312 -6.616 3.692 1.00 33.24 H new ATOM 0 HB3 GLU A 67 5.159 -6.767 5.431 1.00 33.24 H new ATOM 0 HG2 GLU A 67 5.669 -9.357 4.807 1.00 43.42 H new ATOM 0 HG3 GLU A 67 6.491 -8.574 3.472 1.00 43.42 H new ATOM 1056 N LYS A 68 2.070 -8.106 6.138 1.00 34.11 N ATOM 1057 CA LYS A 68 1.178 -7.671 7.206 1.00 14.31 C ATOM 1058 C LYS A 68 1.802 -7.925 8.574 1.00 21.23 C ATOM 1059 O LYS A 68 1.105 -7.962 9.588 1.00 33.41 O ATOM 1060 CB LYS A 68 -0.166 -8.396 7.104 1.00 21.31 C ATOM 1061 CG LYS A 68 -1.261 -7.771 7.951 1.00 41.01 C ATOM 1062 CD LYS A 68 -2.110 -8.829 8.635 1.00 24.34 C ATOM 1063 CE LYS A 68 -2.876 -8.252 9.816 1.00 43.24 C ATOM 1064 NZ LYS A 68 -3.310 -9.312 10.767 1.00 11.11 N ATOM 0 H LYS A 68 2.111 -9.117 6.009 1.00 34.11 H new ATOM 0 HA LYS A 68 1.015 -6.599 7.094 1.00 14.31 H new ATOM 0 HB2 LYS A 68 -0.486 -8.406 6.062 1.00 21.31 H new ATOM 0 HB3 LYS A 68 -0.033 -9.435 7.406 1.00 21.31 H new ATOM 0 HG2 LYS A 68 -0.814 -7.120 8.703 1.00 41.01 H new ATOM 0 HG3 LYS A 68 -1.895 -7.145 7.323 1.00 41.01 H new ATOM 0 HD2 LYS A 68 -2.812 -9.254 7.917 1.00 24.34 H new ATOM 0 HD3 LYS A 68 -1.472 -9.644 8.977 1.00 24.34 H new ATOM 0 HE2 LYS A 68 -2.248 -7.530 10.338 1.00 43.24 H new ATOM 0 HE3 LYS A 68 -3.749 -7.710 9.453 1.00 43.24 H new ATOM 0 HZ1 LYS A 68 -3.828 -8.878 11.557 1.00 11.11 H new ATOM 0 HZ2 LYS A 68 -3.930 -9.987 10.275 1.00 11.11 H new ATOM 0 HZ3 LYS A 68 -2.475 -9.812 11.134 1.00 11.11 H new ATOM 1078 N ARG A 69 3.120 -8.098 8.595 1.00 33.23 N ATOM 1079 CA ARG A 69 3.838 -8.349 9.839 1.00 14.43 C ATOM 1080 C ARG A 69 3.956 -7.071 10.665 1.00 4.00 C ATOM 1081 O ARG A 69 4.491 -7.084 11.774 1.00 34.41 O ATOM 1082 CB ARG A 69 5.230 -8.910 9.545 1.00 10.13 C ATOM 1083 CG ARG A 69 5.395 -10.368 9.942 1.00 3.35 C ATOM 1084 CD ARG A 69 6.819 -10.849 9.714 1.00 64.44 C ATOM 1085 NE ARG A 69 6.932 -12.301 9.833 1.00 3.55 N ATOM 1086 CZ ARG A 69 8.073 -12.964 9.682 1.00 41.14 C ATOM 1087 NH1 ARG A 69 9.193 -12.309 9.406 1.00 72.51 N ATOM 1088 NH2 ARG A 69 8.096 -14.285 9.806 1.00 15.21 N ATOM 0 H ARG A 69 3.712 -8.069 7.765 1.00 33.23 H new ATOM 0 HA ARG A 69 3.273 -9.082 10.414 1.00 14.43 H new ATOM 0 HB2 ARG A 69 5.437 -8.807 8.480 1.00 10.13 H new ATOM 0 HB3 ARG A 69 5.973 -8.312 10.073 1.00 10.13 H new ATOM 0 HG2 ARG A 69 5.131 -10.492 10.992 1.00 3.35 H new ATOM 0 HG3 ARG A 69 4.705 -10.984 9.365 1.00 3.35 H new ATOM 0 HD2 ARG A 69 7.152 -10.539 8.723 1.00 64.44 H new ATOM 0 HD3 ARG A 69 7.482 -10.373 10.436 1.00 64.44 H new ATOM 0 HE ARG A 69 6.089 -12.835 10.044 1.00 3.55 H new ATOM 0 HH11 ARG A 69 9.179 -11.294 9.309 1.00 72.51 H new ATOM 0 HH12 ARG A 69 10.068 -12.821 9.291 1.00 72.51 H new ATOM 0 HH21 ARG A 69 7.237 -14.792 10.017 1.00 15.21 H new ATOM 0 HH22 ARG A 69 8.973 -14.793 9.690 1.00 15.21 H new ATOM 1102 N ARG A 70 3.455 -5.969 10.116 1.00 24.12 N ATOM 1103 CA ARG A 70 3.507 -4.683 10.801 1.00 62.10 C ATOM 1104 C ARG A 70 4.947 -4.196 10.936 1.00 61.43 C ATOM 1105 O ARG A 70 5.357 -3.725 11.996 1.00 64.45 O ATOM 1106 CB ARG A 70 2.863 -4.791 12.184 1.00 33.41 C ATOM 1107 CG ARG A 70 1.543 -5.545 12.184 1.00 72.23 C ATOM 1108 CD ARG A 70 1.632 -6.824 13.001 1.00 34.33 C ATOM 1109 NE ARG A 70 0.983 -7.948 12.332 1.00 74.24 N ATOM 1110 CZ ARG A 70 1.069 -9.205 12.754 1.00 14.41 C ATOM 1111 NH1 ARG A 70 1.772 -9.496 13.840 1.00 41.15 N ATOM 1112 NH2 ARG A 70 0.450 -10.173 12.091 1.00 55.23 N ATOM 0 H ARG A 70 3.009 -5.941 9.199 1.00 24.12 H new ATOM 0 HA ARG A 70 2.951 -3.960 10.204 1.00 62.10 H new ATOM 0 HB2 ARG A 70 3.557 -5.290 12.861 1.00 33.41 H new ATOM 0 HB3 ARG A 70 2.699 -3.788 12.578 1.00 33.41 H new ATOM 0 HG2 ARG A 70 0.758 -4.907 12.590 1.00 72.23 H new ATOM 0 HG3 ARG A 70 1.260 -5.786 11.159 1.00 72.23 H new ATOM 0 HD2 ARG A 70 2.679 -7.066 13.182 1.00 34.33 H new ATOM 0 HD3 ARG A 70 1.168 -6.665 13.975 1.00 34.33 H new ATOM 0 HE ARG A 70 0.433 -7.758 11.494 1.00 74.24 H new ATOM 0 HH11 ARG A 70 2.248 -8.754 14.353 1.00 41.15 H new ATOM 0 HH12 ARG A 70 1.837 -10.462 14.162 1.00 41.15 H new ATOM 0 HH21 ARG A 70 -0.093 -9.953 11.256 1.00 55.23 H new ATOM 0 HH22 ARG A 70 0.517 -11.137 12.416 1.00 55.23 H new ATOM 1126 N GLY A 71 5.710 -4.314 9.853 1.00 21.41 N ATOM 1127 CA GLY A 71 7.096 -3.883 9.872 1.00 73.24 C ATOM 1128 C GLY A 71 7.233 -2.378 9.981 1.00 11.45 C ATOM 1129 O GLY A 71 8.330 -1.860 10.193 1.00 11.35 O ATOM 0 H GLY A 71 5.393 -4.700 8.964 1.00 21.41 H new ATOM 0 HA2 GLY A 71 7.608 -4.353 10.712 1.00 73.24 H new ATOM 0 HA3 GLY A 71 7.592 -4.225 8.964 1.00 73.24 H new ATOM 1133 N THR A 72 6.116 -1.671 9.835 1.00 3.24 N ATOM 1134 CA THR A 72 6.117 -0.216 9.916 1.00 12.44 C ATOM 1135 C THR A 72 4.747 0.313 10.326 1.00 73.42 C ATOM 1136 O THR A 72 4.312 1.364 9.856 1.00 32.23 O ATOM 1137 CB THR A 72 6.520 0.422 8.573 1.00 32.33 C ATOM 1138 OG1 THR A 72 5.875 -0.262 7.493 1.00 34.23 O ATOM 1139 CG2 THR A 72 8.028 0.373 8.382 1.00 22.12 C ATOM 0 H THR A 72 5.199 -2.083 9.660 1.00 3.24 H new ATOM 0 HA THR A 72 6.851 0.057 10.674 1.00 12.44 H new ATOM 0 HB THR A 72 6.204 1.465 8.582 1.00 32.33 H new ATOM 0 HG1 THR A 72 6.135 0.150 6.643 1.00 34.23 H new ATOM 0 HG21 THR A 72 8.289 0.829 7.427 1.00 22.12 H new ATOM 0 HG22 THR A 72 8.515 0.919 9.190 1.00 22.12 H new ATOM 0 HG23 THR A 72 8.362 -0.664 8.392 1.00 22.12 H new ATOM 1147 N GLN A 73 4.072 -0.423 11.204 1.00 42.32 N ATOM 1148 CA GLN A 73 2.751 -0.027 11.676 1.00 53.22 C ATOM 1149 C GLN A 73 2.780 1.383 12.258 1.00 62.34 C ATOM 1150 O GLN A 73 3.201 1.587 13.396 1.00 72.35 O ATOM 1151 CB GLN A 73 2.244 -1.015 12.728 1.00 65.11 C ATOM 1152 CG GLN A 73 3.250 -1.295 13.833 1.00 11.03 C ATOM 1153 CD GLN A 73 2.654 -1.136 15.218 1.00 31.31 C ATOM 1154 OE1 GLN A 73 2.590 -0.030 15.756 1.00 73.50 O ATOM 1155 NE2 GLN A 73 2.214 -2.244 15.804 1.00 54.32 N ATOM 0 H GLN A 73 4.418 -1.296 11.602 1.00 42.32 H new ATOM 0 HA GLN A 73 2.072 -0.035 10.823 1.00 53.22 H new ATOM 0 HB2 GLN A 73 1.329 -0.623 13.172 1.00 65.11 H new ATOM 0 HB3 GLN A 73 1.984 -1.953 12.238 1.00 65.11 H new ATOM 0 HG2 GLN A 73 3.634 -2.309 13.721 1.00 11.03 H new ATOM 0 HG3 GLN A 73 4.098 -0.619 13.727 1.00 11.03 H new ATOM 0 HE21 GLN A 73 2.287 -3.140 15.321 1.00 54.32 H new ATOM 0 HE22 GLN A 73 1.803 -2.199 16.737 1.00 54.32 H new ATOM 1164 N GLY A 74 2.331 2.353 11.468 1.00 54.42 N ATOM 1165 CA GLY A 74 2.315 3.732 11.922 1.00 73.41 C ATOM 1166 C GLY A 74 3.608 4.459 11.613 1.00 63.21 C ATOM 1167 O GLY A 74 3.671 5.685 11.689 1.00 41.30 O ATOM 0 H GLY A 74 1.978 2.209 10.522 1.00 54.42 H new ATOM 0 HA2 GLY A 74 1.485 4.257 11.450 1.00 73.41 H new ATOM 0 HA3 GLY A 74 2.137 3.755 12.997 1.00 73.41 H new ATOM 1171 N GLU A 75 4.643 3.700 11.265 1.00 3.40 N ATOM 1172 CA GLU A 75 5.942 4.281 10.946 1.00 2.42 C ATOM 1173 C GLU A 75 5.947 4.863 9.535 1.00 33.33 C ATOM 1174 O GLU A 75 6.686 5.801 9.242 1.00 45.23 O ATOM 1175 CB GLU A 75 7.044 3.227 11.079 1.00 55.51 C ATOM 1176 CG GLU A 75 8.427 3.817 11.296 1.00 61.13 C ATOM 1177 CD GLU A 75 8.615 4.363 12.698 1.00 42.54 C ATOM 1178 OE1 GLU A 75 8.160 3.707 13.657 1.00 15.11 O ATOM 1179 OE2 GLU A 75 9.219 5.448 12.835 1.00 51.34 O ATOM 0 H GLU A 75 4.607 2.683 11.197 1.00 3.40 H new ATOM 0 HA GLU A 75 6.134 5.088 11.653 1.00 2.42 H new ATOM 0 HB2 GLU A 75 6.805 2.567 11.913 1.00 55.51 H new ATOM 0 HB3 GLU A 75 7.058 2.612 10.179 1.00 55.51 H new ATOM 0 HG2 GLU A 75 9.179 3.051 11.105 1.00 61.13 H new ATOM 0 HG3 GLU A 75 8.595 4.616 10.574 1.00 61.13 H new ATOM 1186 N ALA A 76 5.115 4.297 8.666 1.00 5.21 N ATOM 1187 CA ALA A 76 5.022 4.759 7.287 1.00 41.32 C ATOM 1188 C ALA A 76 4.386 6.143 7.213 1.00 3.45 C ATOM 1189 O ALA A 76 4.407 6.792 6.167 1.00 25.12 O ATOM 1190 CB ALA A 76 4.228 3.767 6.450 1.00 23.23 C ATOM 0 H ALA A 76 4.496 3.518 8.893 1.00 5.21 H new ATOM 0 HA ALA A 76 6.033 4.830 6.885 1.00 41.32 H new ATOM 0 HB1 ALA A 76 4.167 4.125 5.422 1.00 23.23 H new ATOM 0 HB2 ALA A 76 4.725 2.797 6.467 1.00 23.23 H new ATOM 0 HB3 ALA A 76 3.223 3.667 6.860 1.00 23.23 H new ATOM 1196 N ARG A 77 3.821 6.590 8.330 1.00 32.33 N ATOM 1197 CA ARG A 77 3.177 7.896 8.391 1.00 1.44 C ATOM 1198 C ARG A 77 4.216 9.014 8.400 1.00 53.20 C ATOM 1199 O ARG A 77 3.898 10.172 8.130 1.00 0.25 O ATOM 1200 CB ARG A 77 2.295 7.996 9.637 1.00 54.10 C ATOM 1201 CG ARG A 77 1.131 8.962 9.483 1.00 30.22 C ATOM 1202 CD ARG A 77 -0.172 8.226 9.211 1.00 25.40 C ATOM 1203 NE ARG A 77 -1.334 8.984 9.665 1.00 51.10 N ATOM 1204 CZ ARG A 77 -2.560 8.477 9.739 1.00 64.25 C ATOM 1205 NH1 ARG A 77 -2.781 7.217 9.390 1.00 30.22 N ATOM 1206 NH2 ARG A 77 -3.567 9.230 10.162 1.00 45.23 N ATOM 0 H ARG A 77 3.796 6.066 9.205 1.00 32.33 H new ATOM 0 HA ARG A 77 2.554 8.008 7.503 1.00 1.44 H new ATOM 0 HB2 ARG A 77 1.906 7.006 9.877 1.00 54.10 H new ATOM 0 HB3 ARG A 77 2.908 8.311 10.482 1.00 54.10 H new ATOM 0 HG2 ARG A 77 1.030 9.559 10.389 1.00 30.22 H new ATOM 0 HG3 ARG A 77 1.337 9.654 8.666 1.00 30.22 H new ATOM 0 HD2 ARG A 77 -0.262 8.031 8.142 1.00 25.40 H new ATOM 0 HD3 ARG A 77 -0.153 7.258 9.711 1.00 25.40 H new ATOM 0 HE ARG A 77 -1.197 9.956 9.941 1.00 51.10 H new ATOM 0 HH11 ARG A 77 -2.009 6.635 9.064 1.00 30.22 H new ATOM 0 HH12 ARG A 77 -3.723 6.830 9.448 1.00 30.22 H new ATOM 0 HH21 ARG A 77 -3.401 10.200 10.431 1.00 45.23 H new ATOM 0 HH22 ARG A 77 -4.507 8.839 10.218 1.00 45.23 H new ATOM 1220 N ALA A 78 5.458 8.659 8.712 1.00 73.41 N ATOM 1221 CA ALA A 78 6.543 9.631 8.754 1.00 31.22 C ATOM 1222 C ALA A 78 7.599 9.321 7.698 1.00 14.41 C ATOM 1223 O ALA A 78 8.008 10.200 6.939 1.00 12.53 O ATOM 1224 CB ALA A 78 7.172 9.660 10.139 1.00 31.23 C ATOM 0 H ALA A 78 5.738 7.705 8.939 1.00 73.41 H new ATOM 0 HA ALA A 78 6.126 10.614 8.536 1.00 31.22 H new ATOM 0 HB1 ALA A 78 7.981 10.390 10.156 1.00 31.23 H new ATOM 0 HB2 ALA A 78 6.418 9.937 10.875 1.00 31.23 H new ATOM 0 HB3 ALA A 78 7.569 8.674 10.379 1.00 31.23 H new ATOM 1230 N TYR A 79 8.036 8.068 7.655 1.00 30.12 N ATOM 1231 CA TYR A 79 9.047 7.644 6.694 1.00 71.30 C ATOM 1232 C TYR A 79 8.406 7.251 5.367 1.00 75.34 C ATOM 1233 O TYR A 79 8.969 7.487 4.298 1.00 21.10 O ATOM 1234 CB TYR A 79 9.850 6.468 7.253 1.00 45.14 C ATOM 1235 CG TYR A 79 10.735 5.798 6.226 1.00 25.54 C ATOM 1236 CD1 TYR A 79 11.488 6.549 5.332 1.00 1.12 C ATOM 1237 CD2 TYR A 79 10.818 4.413 6.150 1.00 24.21 C ATOM 1238 CE1 TYR A 79 12.298 5.941 4.392 1.00 34.14 C ATOM 1239 CE2 TYR A 79 11.626 3.796 5.215 1.00 43.15 C ATOM 1240 CZ TYR A 79 12.364 4.564 4.338 1.00 53.32 C ATOM 1241 OH TYR A 79 13.169 3.954 3.404 1.00 74.35 O ATOM 0 H TYR A 79 7.706 7.328 8.274 1.00 30.12 H new ATOM 0 HA TYR A 79 9.719 8.484 6.518 1.00 71.30 H new ATOM 0 HB2 TYR A 79 10.468 6.820 8.079 1.00 45.14 H new ATOM 0 HB3 TYR A 79 9.161 5.730 7.663 1.00 45.14 H new ATOM 0 HD1 TYR A 79 11.439 7.627 5.372 1.00 1.12 H new ATOM 0 HD2 TYR A 79 10.241 3.808 6.834 1.00 24.21 H new ATOM 0 HE1 TYR A 79 12.876 6.540 3.704 1.00 34.14 H new ATOM 0 HE2 TYR A 79 11.680 2.718 5.171 1.00 43.15 H new ATOM 0 HH TYR A 79 13.102 2.981 3.500 1.00 74.35 H new ATOM 1251 N SER A 80 7.222 6.650 5.443 1.00 24.25 N ATOM 1252 CA SER A 80 6.504 6.221 4.249 1.00 20.43 C ATOM 1253 C SER A 80 7.419 5.427 3.321 1.00 14.20 C ATOM 1254 O SER A 80 7.563 4.213 3.463 1.00 50.31 O ATOM 1255 CB SER A 80 5.933 7.432 3.509 1.00 63.42 C ATOM 1256 OG SER A 80 6.754 8.573 3.689 1.00 32.22 O ATOM 0 H SER A 80 6.740 6.449 6.319 1.00 24.25 H new ATOM 0 HA SER A 80 5.683 5.575 4.561 1.00 20.43 H new ATOM 0 HB2 SER A 80 5.847 7.206 2.446 1.00 63.42 H new ATOM 0 HB3 SER A 80 4.927 7.643 3.872 1.00 63.42 H new ATOM 0 HG SER A 80 7.691 8.329 3.538 1.00 32.22 H new ATOM 1262 N MET A 81 8.034 6.123 2.370 1.00 31.05 N ATOM 1263 CA MET A 81 8.936 5.484 1.419 1.00 52.41 C ATOM 1264 C MET A 81 10.332 6.094 1.499 1.00 14.33 C ATOM 1265 O MET A 81 10.578 7.005 2.291 1.00 60.23 O ATOM 1266 CB MET A 81 8.389 5.619 -0.004 1.00 20.34 C ATOM 1267 CG MET A 81 7.615 4.398 -0.475 1.00 42.20 C ATOM 1268 SD MET A 81 6.253 3.971 0.626 1.00 0.35 S ATOM 1269 CE MET A 81 5.149 5.355 0.352 1.00 61.34 C ATOM 0 H MET A 81 7.924 7.128 2.238 1.00 31.05 H new ATOM 0 HA MET A 81 9.005 4.427 1.676 1.00 52.41 H new ATOM 0 HB2 MET A 81 7.739 6.493 -0.053 1.00 20.34 H new ATOM 0 HB3 MET A 81 9.218 5.800 -0.688 1.00 20.34 H new ATOM 0 HG2 MET A 81 7.224 4.584 -1.475 1.00 42.20 H new ATOM 0 HG3 MET A 81 8.295 3.549 -0.552 1.00 42.20 H new ATOM 0 HE1 MET A 81 4.366 5.351 1.110 1.00 61.34 H new ATOM 0 HE2 MET A 81 5.711 6.287 0.416 1.00 61.34 H new ATOM 0 HE3 MET A 81 4.698 5.270 -0.637 1.00 61.34 H new ATOM 1279 N LYS A 82 11.242 5.587 0.676 1.00 65.22 N ATOM 1280 CA LYS A 82 12.614 6.082 0.652 1.00 32.45 C ATOM 1281 C LYS A 82 12.747 7.271 -0.294 1.00 22.35 C ATOM 1282 O LYS A 82 12.412 7.176 -1.474 1.00 3.32 O ATOM 1283 CB LYS A 82 13.573 4.967 0.227 1.00 54.55 C ATOM 1284 CG LYS A 82 14.773 4.814 1.144 1.00 1.24 C ATOM 1285 CD LYS A 82 16.006 5.490 0.568 1.00 71.14 C ATOM 1286 CE LYS A 82 16.638 6.445 1.569 1.00 73.04 C ATOM 1287 NZ LYS A 82 18.119 6.297 1.618 1.00 34.53 N ATOM 0 H LYS A 82 11.055 4.833 0.016 1.00 65.22 H new ATOM 0 HA LYS A 82 12.873 6.411 1.658 1.00 32.45 H new ATOM 0 HB2 LYS A 82 13.028 4.023 0.195 1.00 54.55 H new ATOM 0 HB3 LYS A 82 13.923 5.167 -0.786 1.00 54.55 H new ATOM 0 HG2 LYS A 82 14.544 5.244 2.119 1.00 1.24 H new ATOM 0 HG3 LYS A 82 14.978 3.755 1.302 1.00 1.24 H new ATOM 0 HD2 LYS A 82 16.734 4.733 0.276 1.00 71.14 H new ATOM 0 HD3 LYS A 82 15.734 6.036 -0.335 1.00 71.14 H new ATOM 0 HE2 LYS A 82 16.384 7.471 1.302 1.00 73.04 H new ATOM 0 HE3 LYS A 82 16.222 6.261 2.559 1.00 73.04 H new ATOM 0 HZ1 LYS A 82 18.541 7.161 2.014 1.00 34.53 H new ATOM 0 HZ2 LYS A 82 18.367 5.484 2.217 1.00 34.53 H new ATOM 0 HZ3 LYS A 82 18.484 6.143 0.657 1.00 34.53 H new ATOM 1301 N GLU A 83 13.240 8.388 0.233 1.00 75.21 N ATOM 1302 CA GLU A 83 13.417 9.594 -0.566 1.00 43.34 C ATOM 1303 C GLU A 83 14.432 9.363 -1.682 1.00 42.03 C ATOM 1304 O GLU A 83 14.303 9.912 -2.777 1.00 5.34 O ATOM 1305 CB GLU A 83 13.872 10.757 0.319 1.00 61.34 C ATOM 1306 CG GLU A 83 12.754 11.361 1.151 1.00 1.42 C ATOM 1307 CD GLU A 83 13.114 11.471 2.620 1.00 4.10 C ATOM 1308 OE1 GLU A 83 13.318 10.418 3.260 1.00 10.34 O ATOM 1309 OE2 GLU A 83 13.192 12.609 3.129 1.00 25.41 O ATOM 0 H GLU A 83 13.523 8.482 1.208 1.00 75.21 H new ATOM 0 HA GLU A 83 12.457 9.844 -1.017 1.00 43.34 H new ATOM 0 HB2 GLU A 83 14.662 10.409 0.985 1.00 61.34 H new ATOM 0 HB3 GLU A 83 14.306 11.534 -0.311 1.00 61.34 H new ATOM 0 HG2 GLU A 83 12.513 12.351 0.765 1.00 1.42 H new ATOM 0 HG3 GLU A 83 11.857 10.751 1.045 1.00 1.42 H new ATOM 1316 N ASP A 84 15.441 8.547 -1.397 1.00 11.24 N ATOM 1317 CA ASP A 84 16.478 8.242 -2.375 1.00 43.21 C ATOM 1318 C ASP A 84 15.875 7.621 -3.631 1.00 51.41 C ATOM 1319 O ASP A 84 16.336 7.873 -4.745 1.00 23.11 O ATOM 1320 CB ASP A 84 17.516 7.295 -1.771 1.00 62.12 C ATOM 1321 CG ASP A 84 18.803 7.259 -2.573 1.00 34.43 C ATOM 1322 OD1 ASP A 84 18.830 7.839 -3.678 1.00 52.13 O ATOM 1323 OD2 ASP A 84 19.782 6.650 -2.094 1.00 3.40 O ATOM 0 H ASP A 84 15.563 8.085 -0.496 1.00 11.24 H new ATOM 0 HA ASP A 84 16.967 9.176 -2.652 1.00 43.21 H new ATOM 0 HB2 ASP A 84 17.736 7.606 -0.750 1.00 62.12 H new ATOM 0 HB3 ASP A 84 17.098 6.290 -1.715 1.00 62.12 H new ATOM 1328 N THR A 85 14.840 6.807 -3.445 1.00 3.44 N ATOM 1329 CA THR A 85 14.175 6.149 -4.561 1.00 60.35 C ATOM 1330 C THR A 85 12.795 6.746 -4.809 1.00 14.11 C ATOM 1331 O THR A 85 12.017 6.226 -5.609 1.00 61.22 O ATOM 1332 CB THR A 85 14.030 4.635 -4.316 1.00 23.04 C ATOM 1333 OG1 THR A 85 13.709 4.390 -2.942 1.00 5.33 O ATOM 1334 CG2 THR A 85 15.313 3.902 -4.680 1.00 54.44 C ATOM 0 H THR A 85 14.445 6.588 -2.531 1.00 3.44 H new ATOM 0 HA THR A 85 14.800 6.309 -5.439 1.00 60.35 H new ATOM 0 HB THR A 85 13.225 4.262 -4.950 1.00 23.04 H new ATOM 0 HG1 THR A 85 12.943 3.781 -2.889 1.00 5.33 H new ATOM 0 HG21 THR A 85 15.186 2.835 -4.499 1.00 54.44 H new ATOM 0 HG22 THR A 85 15.540 4.067 -5.733 1.00 54.44 H new ATOM 0 HG23 THR A 85 16.133 4.279 -4.069 1.00 54.44 H new ATOM 1342 N ARG A 86 12.496 7.841 -4.118 1.00 4.42 N ATOM 1343 CA ARG A 86 11.209 8.509 -4.263 1.00 14.32 C ATOM 1344 C ARG A 86 11.135 9.267 -5.585 1.00 51.02 C ATOM 1345 O ARG A 86 11.939 10.163 -5.845 1.00 62.04 O ATOM 1346 CB ARG A 86 10.975 9.472 -3.097 1.00 44.23 C ATOM 1347 CG ARG A 86 9.565 10.036 -3.046 1.00 32.01 C ATOM 1348 CD ARG A 86 9.095 10.233 -1.613 1.00 23.51 C ATOM 1349 NE ARG A 86 9.192 11.628 -1.192 1.00 31.53 N ATOM 1350 CZ ARG A 86 8.281 12.549 -1.486 1.00 63.20 C ATOM 1351 NH1 ARG A 86 7.211 12.224 -2.199 1.00 5.32 N ATOM 1352 NH2 ARG A 86 8.440 13.798 -1.067 1.00 33.33 N ATOM 0 H ARG A 86 13.128 8.284 -3.452 1.00 4.42 H new ATOM 0 HA ARG A 86 10.430 7.746 -4.257 1.00 14.32 H new ATOM 0 HB2 ARG A 86 11.184 8.953 -2.161 1.00 44.23 H new ATOM 0 HB3 ARG A 86 11.684 10.296 -3.170 1.00 44.23 H new ATOM 0 HG2 ARG A 86 9.534 10.989 -3.574 1.00 32.01 H new ATOM 0 HG3 ARG A 86 8.883 9.362 -3.564 1.00 32.01 H new ATOM 0 HD2 ARG A 86 8.062 9.898 -1.521 1.00 23.51 H new ATOM 0 HD3 ARG A 86 9.693 9.611 -0.947 1.00 23.51 H new ATOM 0 HE ARG A 86 10.003 11.911 -0.642 1.00 31.53 H new ATOM 0 HH11 ARG A 86 7.086 11.265 -2.523 1.00 5.32 H new ATOM 0 HH12 ARG A 86 6.513 12.933 -2.423 1.00 5.32 H new ATOM 0 HH21 ARG A 86 9.262 14.051 -0.519 1.00 33.33 H new ATOM 0 HH22 ARG A 86 7.740 14.505 -1.293 1.00 33.33 H new ATOM 1366 N LEU A 87 10.166 8.901 -6.417 1.00 41.53 N ATOM 1367 CA LEU A 87 9.987 9.546 -7.714 1.00 3.13 C ATOM 1368 C LEU A 87 8.775 10.472 -7.699 1.00 22.01 C ATOM 1369 O LEU A 87 8.901 11.678 -7.910 1.00 23.35 O ATOM 1370 CB LEU A 87 9.825 8.493 -8.811 1.00 63.31 C ATOM 1371 CG LEU A 87 10.838 8.554 -9.955 1.00 21.00 C ATOM 1372 CD1 LEU A 87 10.463 7.571 -11.053 1.00 50.23 C ATOM 1373 CD2 LEU A 87 10.930 9.968 -10.510 1.00 64.35 C ATOM 0 H LEU A 87 9.492 8.162 -6.217 1.00 41.53 H new ATOM 0 HA LEU A 87 10.875 10.143 -7.921 1.00 3.13 H new ATOM 0 HB2 LEU A 87 9.885 7.506 -8.351 1.00 63.31 H new ATOM 0 HB3 LEU A 87 8.824 8.588 -9.233 1.00 63.31 H new ATOM 0 HG LEU A 87 11.816 8.274 -9.565 1.00 21.00 H new ATOM 0 HD11 LEU A 87 11.195 7.629 -11.858 1.00 50.23 H new ATOM 0 HD12 LEU A 87 10.449 6.560 -10.647 1.00 50.23 H new ATOM 0 HD13 LEU A 87 9.475 7.819 -11.442 1.00 50.23 H new ATOM 0 HD21 LEU A 87 11.655 9.993 -11.323 1.00 64.35 H new ATOM 0 HD22 LEU A 87 9.954 10.276 -10.885 1.00 64.35 H new ATOM 0 HD23 LEU A 87 11.247 10.649 -9.720 1.00 64.35 H new ATOM 1385 N GLU A 88 7.602 9.899 -7.447 1.00 3.24 N ATOM 1386 CA GLU A 88 6.368 10.674 -7.403 1.00 1.53 C ATOM 1387 C GLU A 88 5.645 10.471 -6.075 1.00 33.14 C ATOM 1388 O GLU A 88 6.058 9.659 -5.248 1.00 70.42 O ATOM 1389 CB GLU A 88 5.450 10.280 -8.562 1.00 23.13 C ATOM 1390 CG GLU A 88 4.904 11.467 -9.337 1.00 10.02 C ATOM 1391 CD GLU A 88 4.440 11.090 -10.731 1.00 5.44 C ATOM 1392 OE1 GLU A 88 5.048 10.179 -11.331 1.00 41.31 O ATOM 1393 OE2 GLU A 88 3.471 11.706 -11.221 1.00 1.13 O ATOM 0 H GLU A 88 7.481 8.902 -7.270 1.00 3.24 H new ATOM 0 HA GLU A 88 6.628 11.728 -7.498 1.00 1.53 H new ATOM 0 HB2 GLU A 88 5.999 9.632 -9.245 1.00 23.13 H new ATOM 0 HB3 GLU A 88 4.616 9.697 -8.172 1.00 23.13 H new ATOM 0 HG2 GLU A 88 4.071 11.903 -8.786 1.00 10.02 H new ATOM 0 HG3 GLU A 88 5.675 12.234 -9.410 1.00 10.02 H new ATOM 1400 N GLY A 89 4.561 11.216 -5.877 1.00 43.10 N ATOM 1401 CA GLY A 89 3.798 11.104 -4.648 1.00 73.31 C ATOM 1402 C GLY A 89 4.275 12.066 -3.579 1.00 1.13 C ATOM 1403 O GLY A 89 5.077 12.965 -3.835 1.00 74.22 O ATOM 0 H GLY A 89 4.198 11.895 -6.546 1.00 43.10 H new ATOM 0 HA2 GLY A 89 2.746 11.293 -4.859 1.00 73.31 H new ATOM 0 HA3 GLY A 89 3.869 10.083 -4.272 1.00 73.31 H new ATOM 1407 N PRO A 90 3.776 11.883 -2.347 1.00 50.52 N ATOM 1408 CA PRO A 90 2.821 10.818 -2.030 1.00 73.33 C ATOM 1409 C PRO A 90 1.451 11.062 -2.655 1.00 64.34 C ATOM 1410 O PRO A 90 1.215 12.104 -3.266 1.00 74.01 O ATOM 1411 CB PRO A 90 2.728 10.867 -0.503 1.00 52.22 C ATOM 1412 CG PRO A 90 3.093 12.267 -0.147 1.00 24.44 C ATOM 1413 CD PRO A 90 4.105 12.704 -1.169 1.00 62.35 C ATOM 0 HA PRO A 90 3.144 9.853 -2.420 1.00 73.33 H new ATOM 0 HB2 PRO A 90 1.724 10.620 -0.159 1.00 52.22 H new ATOM 0 HB3 PRO A 90 3.408 10.151 -0.042 1.00 52.22 H new ATOM 0 HG2 PRO A 90 2.217 12.915 -0.164 1.00 24.44 H new ATOM 0 HG3 PRO A 90 3.508 12.318 0.860 1.00 24.44 H new ATOM 0 HD2 PRO A 90 4.023 13.769 -1.386 1.00 62.35 H new ATOM 0 HD3 PRO A 90 5.124 12.526 -0.827 1.00 62.35 H new ATOM 1421 N TRP A 91 0.554 10.095 -2.499 1.00 2.45 N ATOM 1422 CA TRP A 91 -0.792 10.206 -3.048 1.00 14.40 C ATOM 1423 C TRP A 91 -1.817 9.582 -2.107 1.00 53.24 C ATOM 1424 O TRP A 91 -1.612 8.483 -1.594 1.00 31.10 O ATOM 1425 CB TRP A 91 -0.863 9.532 -4.419 1.00 51.21 C ATOM 1426 CG TRP A 91 -0.265 10.357 -5.518 1.00 41.12 C ATOM 1427 CD1 TRP A 91 -0.394 11.705 -5.694 1.00 43.30 C ATOM 1428 CD2 TRP A 91 0.554 9.887 -6.594 1.00 63.40 C ATOM 1429 NE1 TRP A 91 0.296 12.101 -6.815 1.00 1.24 N ATOM 1430 CE2 TRP A 91 0.887 11.004 -7.384 1.00 10.50 C ATOM 1431 CE3 TRP A 91 1.041 8.630 -6.966 1.00 12.52 C ATOM 1432 CZ2 TRP A 91 1.682 10.901 -8.522 1.00 41.02 C ATOM 1433 CZ3 TRP A 91 1.829 8.529 -8.096 1.00 45.50 C ATOM 1434 CH2 TRP A 91 2.145 9.659 -8.863 1.00 14.00 C ATOM 0 H TRP A 91 0.735 9.226 -1.997 1.00 2.45 H new ATOM 0 HA TRP A 91 -1.026 11.265 -3.159 1.00 14.40 H new ATOM 0 HB2 TRP A 91 -0.346 8.573 -4.372 1.00 51.21 H new ATOM 0 HB3 TRP A 91 -1.905 9.321 -4.659 1.00 51.21 H new ATOM 0 HD1 TRP A 91 -0.956 12.363 -5.048 1.00 43.30 H new ATOM 0 HE1 TRP A 91 0.358 13.057 -7.166 1.00 1.24 H new ATOM 0 HE3 TRP A 91 0.805 7.754 -6.380 1.00 12.52 H new ATOM 0 HZ2 TRP A 91 1.925 11.770 -9.115 1.00 41.02 H new ATOM 0 HZ3 TRP A 91 2.208 7.563 -8.394 1.00 45.50 H new ATOM 0 HH2 TRP A 91 2.766 9.547 -9.740 1.00 14.00 H new ATOM 1445 N GLU A 92 -2.920 10.291 -1.886 1.00 72.34 N ATOM 1446 CA GLU A 92 -3.976 9.804 -1.006 1.00 52.34 C ATOM 1447 C GLU A 92 -5.283 9.622 -1.773 1.00 41.43 C ATOM 1448 O GLU A 92 -5.660 10.466 -2.587 1.00 72.32 O ATOM 1449 CB GLU A 92 -4.187 10.774 0.159 1.00 64.43 C ATOM 1450 CG GLU A 92 -3.198 10.582 1.296 1.00 20.44 C ATOM 1451 CD GLU A 92 -3.152 11.770 2.237 1.00 55.44 C ATOM 1452 OE1 GLU A 92 -3.525 12.882 1.807 1.00 70.00 O ATOM 1453 OE2 GLU A 92 -2.744 11.588 3.403 1.00 51.32 O ATOM 0 H GLU A 92 -3.105 11.203 -2.304 1.00 72.34 H new ATOM 0 HA GLU A 92 -3.668 8.835 -0.612 1.00 52.34 H new ATOM 0 HB2 GLU A 92 -4.108 11.796 -0.211 1.00 64.43 H new ATOM 0 HB3 GLU A 92 -5.199 10.651 0.544 1.00 64.43 H new ATOM 0 HG2 GLU A 92 -3.466 9.688 1.859 1.00 20.44 H new ATOM 0 HG3 GLU A 92 -2.204 10.412 0.883 1.00 20.44 H new ATOM 1460 N TYR A 93 -5.968 8.516 -1.508 1.00 15.01 N ATOM 1461 CA TYR A 93 -7.231 8.221 -2.175 1.00 32.14 C ATOM 1462 C TYR A 93 -8.219 7.573 -1.209 1.00 24.11 C ATOM 1463 O TYR A 93 -7.830 7.043 -0.169 1.00 34.12 O ATOM 1464 CB TYR A 93 -6.996 7.302 -3.374 1.00 60.43 C ATOM 1465 CG TYR A 93 -6.173 7.937 -4.472 1.00 53.31 C ATOM 1466 CD1 TYR A 93 -6.754 8.808 -5.386 1.00 44.32 C ATOM 1467 CD2 TYR A 93 -4.816 7.666 -4.596 1.00 53.42 C ATOM 1468 CE1 TYR A 93 -6.006 9.391 -6.391 1.00 72.04 C ATOM 1469 CE2 TYR A 93 -4.061 8.246 -5.597 1.00 61.42 C ATOM 1470 CZ TYR A 93 -4.660 9.107 -6.492 1.00 73.14 C ATOM 1471 OH TYR A 93 -3.911 9.685 -7.492 1.00 35.21 O ATOM 0 H TYR A 93 -5.670 7.809 -0.836 1.00 15.01 H new ATOM 0 HA TYR A 93 -7.656 9.162 -2.525 1.00 32.14 H new ATOM 0 HB2 TYR A 93 -6.495 6.396 -3.034 1.00 60.43 H new ATOM 0 HB3 TYR A 93 -7.960 6.999 -3.783 1.00 60.43 H new ATOM 0 HD1 TYR A 93 -7.808 9.033 -5.309 1.00 44.32 H new ATOM 0 HD2 TYR A 93 -4.343 6.991 -3.898 1.00 53.42 H new ATOM 0 HE1 TYR A 93 -6.473 10.065 -7.094 1.00 72.04 H new ATOM 0 HE2 TYR A 93 -3.007 8.026 -5.678 1.00 61.42 H new ATOM 0 HH TYR A 93 -2.982 9.381 -7.422 1.00 35.21 H new ATOM 1481 N GLY A 94 -9.500 7.619 -1.563 1.00 4.44 N ATOM 1482 CA GLY A 94 -10.524 7.033 -0.718 1.00 51.33 C ATOM 1483 C GLY A 94 -11.088 8.024 0.281 1.00 74.31 C ATOM 1484 O GLY A 94 -11.128 9.225 0.018 1.00 1.12 O ATOM 0 H GLY A 94 -9.847 8.051 -2.419 1.00 4.44 H new ATOM 0 HA2 GLY A 94 -11.332 6.652 -1.343 1.00 51.33 H new ATOM 0 HA3 GLY A 94 -10.105 6.181 -0.183 1.00 51.33 H new ATOM 1488 N GLU A 95 -11.528 7.518 1.429 1.00 5.34 N ATOM 1489 CA GLU A 95 -12.095 8.368 2.470 1.00 62.02 C ATOM 1490 C GLU A 95 -11.156 9.526 2.799 1.00 75.44 C ATOM 1491 O GLU A 95 -11.501 10.691 2.605 1.00 72.21 O ATOM 1492 CB GLU A 95 -12.374 7.549 3.732 1.00 52.31 C ATOM 1493 CG GLU A 95 -12.757 8.396 4.934 1.00 21.23 C ATOM 1494 CD GLU A 95 -13.483 7.599 6.001 1.00 4.43 C ATOM 1495 OE1 GLU A 95 -13.012 6.494 6.340 1.00 61.41 O ATOM 1496 OE2 GLU A 95 -14.522 8.083 6.498 1.00 44.02 O ATOM 0 H GLU A 95 -11.503 6.525 1.662 1.00 5.34 H new ATOM 0 HA GLU A 95 -13.033 8.779 2.097 1.00 62.02 H new ATOM 0 HB2 GLU A 95 -13.177 6.841 3.526 1.00 52.31 H new ATOM 0 HB3 GLU A 95 -11.488 6.963 3.978 1.00 52.31 H new ATOM 0 HG2 GLU A 95 -11.858 8.838 5.364 1.00 21.23 H new ATOM 0 HG3 GLU A 95 -13.391 9.220 4.606 1.00 21.23 H new