USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 685 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 52 GLN :FLIP amide:sc= -2.6! C(o=-15!,f=-7.3!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.7 USER MOD Set 1.3: A 107 MET CE :methyl -173:sc= -3.98! (180deg=-4.73!) USER MOD Set 2.1: A 16 GLN : amide:sc= 0.0223 K(o=-0.15,f=-1.5!) USER MOD Set 2.2: A 18 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 2.3: A 47 HIS : no HE2:sc= -0.172 K(o=-0.15,f=-0.88) USER MOD Single : A 7 THR OG1 : rot -107:sc= 0.157 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0645) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.483 F(o=-2.3,f=-0.48) USER MOD Single : A 20 TYR OH : rot 117:sc= 0.845 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 45 SER OG : rot -141:sc= 1.28 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-4.9!) USER MOD Single : A 64 SER OG : rot 110:sc= -1.55! USER MOD Single : A 70 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 83 SER OG : rot 11:sc= 0.048 USER MOD Single : A 84 HIS : no HD1:sc= 0.19 K(o=0.19,f=-1.3!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.981 USER MOD Single : A 89 ASN :FLIP amide:sc= -3.22! C(o=-5.2!,f=-3.2!) USER MOD Single : A 104 CYS SG : rot 10:sc= 0.135 USER MOD Single : A 106 MET CE :methyl 139:sc= -1.34 (180deg=-2.91!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.166 -18.996 -1.384 1.00 0.00 N ATOM 82 CA THR A 7 0.119 -18.146 -0.829 1.00 0.00 C ATOM 83 C THR A 7 -0.184 -16.973 -1.755 1.00 0.00 C ATOM 84 O THR A 7 -1.028 -16.131 -1.446 1.00 0.00 O ATOM 85 CB THR A 7 0.534 -17.627 0.551 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.603 -17.246 1.305 1.00 0.00 O ATOM 87 CG2 THR A 7 1.465 -16.433 0.490 1.00 0.00 C ATOM 0 HA THR A 7 -0.785 -18.747 -0.730 1.00 0.00 H new ATOM 0 HB THR A 7 1.063 -18.455 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.643 -16.269 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.719 -16.117 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.375 -16.708 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.972 -15.613 -0.033 1.00 0.00 H new ATOM 95 N CYS A 8 0.511 -16.919 -2.886 1.00 0.00 N ATOM 96 CA CYS A 8 0.316 -15.840 -3.844 1.00 0.00 C ATOM 97 C CYS A 8 -0.226 -16.364 -5.173 1.00 0.00 C ATOM 98 O CYS A 8 0.534 -16.615 -6.109 1.00 0.00 O ATOM 99 CB CYS A 8 1.628 -15.086 -4.067 1.00 0.00 C ATOM 100 SG CYS A 8 2.653 -14.930 -2.568 1.00 0.00 S ATOM 0 H CYS A 8 1.212 -17.608 -3.160 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.423 -15.154 -3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.204 -15.599 -4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.403 -14.089 -4.447 1.00 0.00 H new ATOM 105 N PRO A 9 -1.558 -16.536 -5.271 1.00 0.00 N ATOM 106 CA PRO A 9 -2.203 -17.030 -6.487 1.00 0.00 C ATOM 107 C PRO A 9 -2.382 -15.942 -7.543 1.00 0.00 C ATOM 108 O PRO A 9 -1.800 -16.014 -8.625 1.00 0.00 O ATOM 109 CB PRO A 9 -3.559 -17.519 -5.981 1.00 0.00 C ATOM 110 CG PRO A 9 -3.862 -16.657 -4.803 1.00 0.00 C ATOM 111 CD PRO A 9 -2.536 -16.263 -4.199 1.00 0.00 C ATOM 0 HA PRO A 9 -1.610 -17.798 -6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.326 -17.422 -6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.520 -18.572 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.427 -15.775 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.473 -17.194 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.526 -15.212 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.318 -16.844 -3.303 1.00 0.00 H new ATOM 119 N GLU A 10 -3.194 -14.940 -7.224 1.00 0.00 N ATOM 120 CA GLU A 10 -3.455 -13.840 -8.147 1.00 0.00 C ATOM 121 C GLU A 10 -3.200 -12.491 -7.481 1.00 0.00 C ATOM 122 O GLU A 10 -2.146 -11.883 -7.673 1.00 0.00 O ATOM 123 CB GLU A 10 -4.896 -13.910 -8.655 1.00 0.00 C ATOM 124 CG GLU A 10 -5.282 -12.746 -9.552 1.00 0.00 C ATOM 125 CD GLU A 10 -6.451 -13.072 -10.460 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.218 -13.646 -11.545 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.600 -12.754 -10.088 1.00 0.00 O ATOM 0 H GLU A 10 -3.684 -14.866 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.772 -13.937 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.034 -14.842 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.572 -13.940 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.536 -11.885 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.423 -12.460 -10.160 1.00 0.00 H new ATOM 134 N LYS A 11 -4.173 -12.027 -6.700 1.00 0.00 N ATOM 135 CA LYS A 11 -4.061 -10.747 -6.005 1.00 0.00 C ATOM 136 C LYS A 11 -2.745 -10.658 -5.241 1.00 0.00 C ATOM 137 O LYS A 11 -2.089 -9.618 -5.229 1.00 0.00 O ATOM 138 CB LYS A 11 -5.235 -10.560 -5.042 1.00 0.00 C ATOM 139 CG LYS A 11 -6.517 -10.114 -5.725 1.00 0.00 C ATOM 140 CD LYS A 11 -7.558 -11.222 -5.733 1.00 0.00 C ATOM 141 CE LYS A 11 -8.968 -10.659 -5.807 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.162 -9.804 -7.010 1.00 0.00 N ATOM 0 H LYS A 11 -5.050 -12.520 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.083 -9.954 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.419 -11.499 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.961 -9.824 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.918 -9.240 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.299 -9.811 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.383 -11.881 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.453 -11.828 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.686 -11.479 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.173 -10.075 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.169 -9.564 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.607 -8.931 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.846 -10.319 -7.856 1.00 0.00 H new ATOM 156 N TRP A 12 -2.365 -11.760 -4.611 1.00 0.00 N ATOM 157 CA TRP A 12 -1.128 -11.825 -3.848 1.00 0.00 C ATOM 158 C TRP A 12 0.075 -11.872 -4.782 1.00 0.00 C ATOM 159 O TRP A 12 0.045 -12.543 -5.814 1.00 0.00 O ATOM 160 CB TRP A 12 -1.129 -13.050 -2.934 1.00 0.00 C ATOM 161 CG TRP A 12 -2.134 -12.980 -1.824 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.460 -12.673 -1.932 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.892 -13.229 -0.434 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.057 -12.714 -0.696 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.115 -13.054 0.240 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.760 -13.584 0.304 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.236 -13.222 1.616 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.882 -13.750 1.671 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.112 -13.570 2.314 1.00 0.00 C ATOM 0 H TRP A 12 -2.901 -12.628 -4.614 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.058 -10.928 -3.233 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.326 -13.938 -3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.135 -13.171 -2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.966 -12.433 -2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.041 -12.523 -0.506 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.193 -13.726 -0.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.184 -13.083 2.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.014 -14.023 2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.175 -13.709 3.383 1.00 0.00 H new ATOM 180 N ILE A 13 1.130 -11.155 -4.416 1.00 0.00 N ATOM 181 CA ILE A 13 2.343 -11.114 -5.224 1.00 0.00 C ATOM 182 C ILE A 13 3.583 -11.341 -4.367 1.00 0.00 C ATOM 183 O ILE A 13 3.798 -10.644 -3.379 1.00 0.00 O ATOM 184 CB ILE A 13 2.486 -9.764 -5.956 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.169 -8.973 -5.910 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.936 -9.989 -7.388 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.209 -9.291 -7.042 1.00 0.00 C ATOM 0 H ILE A 13 1.171 -10.594 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 13 2.258 -11.914 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 13 3.246 -9.172 -5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.672 -9.173 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.398 -7.908 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.033 -9.028 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.899 -10.500 -7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.199 -10.601 -7.909 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.694 -8.690 -6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.684 -9.064 -7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.053 -10.348 -7.010 1.00 0.00 H new ATOM 199 N ASN A 14 4.398 -12.318 -4.754 1.00 0.00 N ATOM 200 CA ASN A 14 5.619 -12.637 -4.017 1.00 0.00 C ATOM 201 C ASN A 14 6.857 -12.170 -4.771 1.00 0.00 C ATOM 202 O ASN A 14 6.855 -12.080 -5.999 1.00 0.00 O ATOM 203 CB ASN A 14 5.705 -14.139 -3.746 1.00 0.00 C ATOM 204 CG ASN A 14 7.038 -14.546 -3.147 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.236 -14.232 -1.873 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.880 -15.136 -3.824 1.00 0.00 N flip ATOM 0 H ASN A 14 4.236 -12.903 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 14 5.580 -12.107 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.902 -14.429 -3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.548 -14.683 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.685 -15.358 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.772 -15.403 -3.408 1.00 0.00 H new ATOM 213 N PHE A 15 7.912 -11.867 -4.022 1.00 0.00 N ATOM 214 CA PHE A 15 9.162 -11.399 -4.610 1.00 0.00 C ATOM 215 C PHE A 15 10.352 -12.194 -4.070 1.00 0.00 C ATOM 216 O PHE A 15 10.344 -13.425 -4.094 1.00 0.00 O ATOM 217 CB PHE A 15 9.349 -9.905 -4.331 1.00 0.00 C ATOM 218 CG PHE A 15 8.082 -9.108 -4.453 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.256 -8.931 -3.356 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.719 -8.539 -5.661 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.090 -8.200 -3.460 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.552 -7.806 -5.774 1.00 0.00 C ATOM 223 CZ PHE A 15 5.737 -7.635 -4.672 1.00 0.00 C ATOM 0 H PHE A 15 7.926 -11.937 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 15 9.113 -11.554 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.752 -9.779 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.089 -9.504 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.527 -9.370 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.354 -8.669 -6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.454 -8.069 -2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.278 -7.368 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.826 -7.061 -4.757 1.00 0.00 H new ATOM 233 N GLN A 16 11.375 -11.485 -3.590 1.00 0.00 N ATOM 234 CA GLN A 16 12.567 -12.128 -3.048 1.00 0.00 C ATOM 235 C GLN A 16 12.196 -13.198 -2.028 1.00 0.00 C ATOM 236 O GLN A 16 12.734 -14.304 -2.052 1.00 0.00 O ATOM 237 CB GLN A 16 13.487 -11.088 -2.404 1.00 0.00 C ATOM 238 CG GLN A 16 12.755 -10.095 -1.515 1.00 0.00 C ATOM 239 CD GLN A 16 12.759 -8.690 -2.084 1.00 0.00 C ATOM 240 OE1 GLN A 16 12.559 -8.492 -3.283 1.00 0.00 O ATOM 241 NE2 GLN A 16 12.987 -7.704 -1.225 1.00 0.00 N ATOM 0 H GLN A 16 11.399 -10.466 -3.567 1.00 0.00 H new ATOM 0 HA GLN A 16 13.094 -12.608 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.245 -11.602 -1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.011 -10.543 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.725 -10.425 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.219 -10.085 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.148 -7.913 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.001 -6.737 -1.550 1.00 0.00 H new ATOM 250 N ARG A 17 11.268 -12.864 -1.134 1.00 0.00 N ATOM 251 CA ARG A 17 10.828 -13.806 -0.112 1.00 0.00 C ATOM 252 C ARG A 17 9.540 -13.340 0.559 1.00 0.00 C ATOM 253 O ARG A 17 9.000 -14.026 1.427 1.00 0.00 O ATOM 254 CB ARG A 17 11.922 -14.005 0.939 1.00 0.00 C ATOM 255 CG ARG A 17 12.457 -12.704 1.514 1.00 0.00 C ATOM 256 CD ARG A 17 13.890 -12.450 1.079 1.00 0.00 C ATOM 257 NE ARG A 17 14.838 -12.641 2.175 1.00 0.00 N ATOM 258 CZ ARG A 17 16.157 -12.663 2.014 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.685 -12.506 0.807 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.952 -12.841 3.061 1.00 0.00 N ATOM 0 H ARG A 17 10.810 -11.954 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 17 10.628 -14.757 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.528 -14.616 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.746 -14.561 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.826 -11.876 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.407 -12.738 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.144 -13.122 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.978 -11.433 0.697 1.00 0.00 H new ATOM 0 HE ARG A 17 14.466 -12.764 3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.078 -12.368 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.698 -12.523 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.551 -12.961 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.964 -12.858 2.936 1.00 0.00 H new ATOM 274 N LYS A 18 9.046 -12.178 0.148 1.00 0.00 N ATOM 275 CA LYS A 18 7.820 -11.636 0.707 1.00 0.00 C ATOM 276 C LYS A 18 6.722 -11.598 -0.333 1.00 0.00 C ATOM 277 O LYS A 18 6.975 -11.582 -1.533 1.00 0.00 O ATOM 278 CB LYS A 18 8.033 -10.230 1.254 1.00 0.00 C ATOM 279 CG LYS A 18 8.306 -9.201 0.176 1.00 0.00 C ATOM 280 CD LYS A 18 9.656 -8.538 0.376 1.00 0.00 C ATOM 281 CE LYS A 18 9.507 -7.121 0.904 1.00 0.00 C ATOM 282 NZ LYS A 18 10.261 -6.138 0.077 1.00 0.00 N ATOM 0 H LYS A 18 9.477 -11.596 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 18 7.524 -12.294 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.150 -9.930 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.869 -10.243 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.275 -9.680 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.522 -8.444 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.252 -9.127 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.198 -8.520 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.452 -6.849 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.863 -7.078 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.106 -5.180 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.276 -6.363 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.928 -6.184 -0.907 1.00 0.00 H new ATOM 296 N CYS A 19 5.505 -11.564 0.153 1.00 0.00 N ATOM 297 CA CYS A 19 4.333 -11.509 -0.698 1.00 0.00 C ATOM 298 C CYS A 19 3.486 -10.304 -0.326 1.00 0.00 C ATOM 299 O CYS A 19 3.699 -9.686 0.716 1.00 0.00 O ATOM 300 CB CYS A 19 3.516 -12.799 -0.585 1.00 0.00 C ATOM 301 SG CYS A 19 2.301 -13.035 -1.924 1.00 0.00 S ATOM 0 H CYS A 19 5.295 -11.574 1.151 1.00 0.00 H new ATOM 0 HA CYS A 19 4.656 -11.409 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.199 -13.648 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.992 -12.801 0.371 1.00 0.00 H new ATOM 306 N TYR A 20 2.536 -9.966 -1.180 1.00 0.00 N ATOM 307 CA TYR A 20 1.670 -8.821 -0.940 1.00 0.00 C ATOM 308 C TYR A 20 0.206 -9.237 -0.956 1.00 0.00 C ATOM 309 O TYR A 20 -0.216 -10.039 -1.783 1.00 0.00 O ATOM 310 CB TYR A 20 1.891 -7.742 -2.011 1.00 0.00 C ATOM 311 CG TYR A 20 3.087 -6.840 -1.783 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.097 -7.175 -0.888 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.199 -5.641 -2.476 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.182 -6.339 -0.692 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.278 -4.802 -2.286 1.00 0.00 C ATOM 316 CZ TYR A 20 5.267 -5.155 -1.393 1.00 0.00 C ATOM 317 OH TYR A 20 6.345 -4.321 -1.201 1.00 0.00 O ATOM 0 H TYR A 20 2.343 -10.467 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 20 1.921 -8.419 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.005 -8.231 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.996 -7.123 -2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.034 -8.102 -0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.427 -5.360 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.959 -6.613 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.347 -3.874 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 20 6.848 -4.239 -2.038 1.00 0.00 H new ATOM 327 N TYR A 21 -0.559 -8.665 -0.040 1.00 0.00 N ATOM 328 CA TYR A 21 -1.979 -8.937 0.069 1.00 0.00 C ATOM 329 C TYR A 21 -2.744 -7.827 -0.636 1.00 0.00 C ATOM 330 O TYR A 21 -2.766 -6.686 -0.180 1.00 0.00 O ATOM 331 CB TYR A 21 -2.372 -8.989 1.547 1.00 0.00 C ATOM 332 CG TYR A 21 -3.667 -9.715 1.841 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.634 -9.909 0.861 1.00 0.00 C ATOM 334 CD2 TYR A 21 -3.920 -10.201 3.116 1.00 0.00 C ATOM 335 CE1 TYR A 21 -5.813 -10.569 1.146 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.095 -10.859 3.410 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.041 -11.042 2.422 1.00 0.00 C ATOM 338 OH TYR A 21 -7.214 -11.699 2.711 1.00 0.00 O ATOM 0 H TYR A 21 -0.210 -7.998 0.649 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.217 -9.895 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.569 -9.471 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.452 -7.969 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.460 -9.538 -0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.182 -10.061 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.554 -10.714 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.274 -11.229 4.408 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.215 -11.967 3.654 1.00 0.00 H new ATOM 348 N PHE A 22 -3.348 -8.160 -1.765 1.00 0.00 N ATOM 349 CA PHE A 22 -4.082 -7.187 -2.549 1.00 0.00 C ATOM 350 C PHE A 22 -5.589 -7.402 -2.418 1.00 0.00 C ATOM 351 O PHE A 22 -6.128 -8.392 -2.914 1.00 0.00 O ATOM 352 CB PHE A 22 -3.645 -7.302 -4.014 1.00 0.00 C ATOM 353 CG PHE A 22 -2.279 -6.720 -4.306 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.467 -6.254 -3.283 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.807 -6.649 -5.609 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.216 -5.730 -3.553 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.555 -6.125 -5.884 1.00 0.00 C ATOM 358 CZ PHE A 22 0.242 -5.665 -4.853 1.00 0.00 C ATOM 0 H PHE A 22 -3.343 -9.101 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.862 -6.186 -2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.647 -8.354 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.382 -6.800 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.816 -6.301 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.424 -7.007 -6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.404 -5.371 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.202 -6.076 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.219 -5.256 -5.064 1.00 0.00 H new ATOM 368 N GLY A 23 -6.260 -6.474 -1.741 1.00 0.00 N ATOM 369 CA GLY A 23 -7.696 -6.584 -1.550 1.00 0.00 C ATOM 370 C GLY A 23 -8.454 -5.350 -1.992 1.00 0.00 C ATOM 371 O GLY A 23 -7.856 -4.363 -2.422 1.00 0.00 O ATOM 0 H GLY A 23 -5.835 -5.647 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.065 -7.447 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.902 -6.771 -0.496 1.00 0.00 H new ATOM 375 N LYS A 24 -9.779 -5.410 -1.883 1.00 0.00 N ATOM 376 CA LYS A 24 -10.634 -4.296 -2.271 1.00 0.00 C ATOM 377 C LYS A 24 -11.621 -3.951 -1.159 1.00 0.00 C ATOM 378 O LYS A 24 -11.954 -4.795 -0.328 1.00 0.00 O ATOM 379 CB LYS A 24 -11.393 -4.629 -3.556 1.00 0.00 C ATOM 380 CG LYS A 24 -12.352 -5.798 -3.412 1.00 0.00 C ATOM 381 CD LYS A 24 -12.930 -6.214 -4.755 1.00 0.00 C ATOM 382 CE LYS A 24 -14.328 -6.790 -4.605 1.00 0.00 C ATOM 383 NZ LYS A 24 -14.301 -8.195 -4.112 1.00 0.00 N ATOM 0 H LYS A 24 -10.283 -6.222 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.997 -3.429 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.952 -3.749 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.675 -4.855 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.832 -6.643 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.162 -5.524 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.960 -5.352 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.278 -6.954 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.902 -6.174 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.841 -6.752 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.274 -8.551 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.775 -8.789 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.835 -8.228 -3.183 1.00 0.00 H new ATOM 440 N GLN A 28 -10.559 4.155 4.628 1.00 0.00 N ATOM 441 CA GLN A 28 -9.469 5.105 4.426 1.00 0.00 C ATOM 442 C GLN A 28 -8.115 4.441 4.652 1.00 0.00 C ATOM 443 O GLN A 28 -8.028 3.222 4.802 1.00 0.00 O ATOM 444 CB GLN A 28 -9.627 6.300 5.367 1.00 0.00 C ATOM 445 CG GLN A 28 -10.991 6.969 5.278 1.00 0.00 C ATOM 446 CD GLN A 28 -11.190 8.030 6.343 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.405 8.974 6.449 1.00 0.00 O ATOM 448 NE2 GLN A 28 -12.242 7.881 7.138 1.00 0.00 N ATOM 0 HA GLN A 28 -9.512 5.454 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.460 5.969 6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.855 7.035 5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.106 7.422 4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.770 6.212 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.866 7.084 7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.427 8.564 7.873 1.00 0.00 H new ATOM 457 N TRP A 29 -7.058 5.251 4.676 1.00 0.00 N ATOM 458 CA TRP A 29 -5.707 4.740 4.883 1.00 0.00 C ATOM 459 C TRP A 29 -5.584 4.068 6.244 1.00 0.00 C ATOM 460 O TRP A 29 -5.081 2.950 6.352 1.00 0.00 O ATOM 461 CB TRP A 29 -4.680 5.868 4.763 1.00 0.00 C ATOM 462 CG TRP A 29 -3.287 5.437 5.109 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.364 4.894 4.262 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.661 5.506 6.395 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.202 4.620 4.945 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.361 4.988 6.255 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.074 5.957 7.653 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.471 4.908 7.322 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.190 5.877 8.712 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.901 5.356 8.542 1.00 0.00 C ATOM 0 H TRP A 29 -7.112 6.262 4.555 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.507 3.998 4.110 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.691 6.254 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.973 6.689 5.418 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.523 4.707 3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.360 4.210 4.542 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.066 6.360 7.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.523 4.507 7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.498 6.222 9.688 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.234 5.307 9.390 1.00 0.00 H new ATOM 481 N VAL A 30 -6.047 4.759 7.277 1.00 0.00 N ATOM 482 CA VAL A 30 -5.993 4.232 8.634 1.00 0.00 C ATOM 483 C VAL A 30 -6.672 2.872 8.711 1.00 0.00 C ATOM 484 O VAL A 30 -6.287 2.016 9.505 1.00 0.00 O ATOM 485 CB VAL A 30 -6.657 5.189 9.641 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.779 6.406 9.880 1.00 0.00 C ATOM 487 CG2 VAL A 30 -8.038 5.604 9.153 1.00 0.00 C ATOM 0 H VAL A 30 -6.465 5.687 7.201 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.940 4.129 8.895 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.775 4.665 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.265 7.071 10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.816 6.087 10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.626 6.934 8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.492 6.280 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.947 6.110 8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.665 4.720 9.040 1.00 0.00 H new ATOM 497 N HIS A 31 -7.684 2.681 7.875 1.00 0.00 N ATOM 498 CA HIS A 31 -8.411 1.423 7.844 1.00 0.00 C ATOM 499 C HIS A 31 -7.564 0.329 7.209 1.00 0.00 C ATOM 500 O HIS A 31 -7.661 -0.839 7.584 1.00 0.00 O ATOM 501 CB HIS A 31 -9.727 1.582 7.081 1.00 0.00 C ATOM 502 CG HIS A 31 -10.941 1.354 7.928 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.447 2.304 8.791 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.752 0.275 8.043 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.515 1.819 9.400 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.721 0.591 8.963 1.00 0.00 N ATOM 0 H HIS A 31 -8.018 3.380 7.212 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.636 1.135 8.871 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.773 2.585 6.657 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.740 0.882 6.246 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.655 -0.659 7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.117 2.339 10.131 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.478 -0.024 9.261 1.00 0.00 H new ATOM 515 N ALA A 32 -6.727 0.713 6.247 1.00 0.00 N ATOM 516 CA ALA A 32 -5.866 -0.246 5.572 1.00 0.00 C ATOM 517 C ALA A 32 -4.764 -0.728 6.505 1.00 0.00 C ATOM 518 O ALA A 32 -4.540 -1.928 6.644 1.00 0.00 O ATOM 519 CB ALA A 32 -5.264 0.371 4.319 1.00 0.00 C ATOM 0 H ALA A 32 -6.630 1.675 5.922 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.472 -1.104 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.623 -0.359 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.063 0.669 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.674 1.246 4.592 1.00 0.00 H new ATOM 525 N ARG A 33 -4.091 0.214 7.153 1.00 0.00 N ATOM 526 CA ARG A 33 -3.020 -0.120 8.081 1.00 0.00 C ATOM 527 C ARG A 33 -3.541 -0.989 9.219 1.00 0.00 C ATOM 528 O ARG A 33 -2.867 -1.920 9.658 1.00 0.00 O ATOM 529 CB ARG A 33 -2.373 1.147 8.644 1.00 0.00 C ATOM 530 CG ARG A 33 -3.368 2.138 9.221 1.00 0.00 C ATOM 531 CD ARG A 33 -3.355 2.118 10.742 1.00 0.00 C ATOM 532 NE ARG A 33 -3.558 3.450 11.308 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.929 3.894 12.392 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.061 3.117 13.025 1.00 0.00 N ATOM 535 NH2 ARG A 33 -3.169 5.118 12.844 1.00 0.00 N ATOM 0 H ARG A 33 -4.268 1.214 7.053 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.265 -0.682 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.662 0.866 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.804 1.636 7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.131 3.141 8.867 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.369 1.901 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.135 1.448 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.404 1.717 11.091 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.219 4.074 10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.874 2.175 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.580 3.461 13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.836 5.719 12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.686 5.458 13.676 1.00 0.00 H new ATOM 549 N TYR A 34 -4.744 -0.681 9.691 1.00 0.00 N ATOM 550 CA TYR A 34 -5.353 -1.436 10.777 1.00 0.00 C ATOM 551 C TYR A 34 -5.811 -2.808 10.298 1.00 0.00 C ATOM 552 O TYR A 34 -5.830 -3.770 11.067 1.00 0.00 O ATOM 553 CB TYR A 34 -6.538 -0.664 11.361 1.00 0.00 C ATOM 554 CG TYR A 34 -6.548 -0.624 12.873 1.00 0.00 C ATOM 555 CD1 TYR A 34 -5.901 0.393 13.564 1.00 0.00 C ATOM 556 CD2 TYR A 34 -7.204 -1.602 13.609 1.00 0.00 C ATOM 557 CE1 TYR A 34 -5.907 0.433 14.945 1.00 0.00 C ATOM 558 CE2 TYR A 34 -7.216 -1.569 14.990 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.566 -0.550 15.653 1.00 0.00 C ATOM 560 OH TYR A 34 -6.575 -0.513 17.029 1.00 0.00 O ATOM 0 H TYR A 34 -5.316 0.086 9.338 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.601 -1.576 11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.520 0.357 10.979 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.465 -1.119 11.012 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.385 1.165 13.013 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.714 -2.402 13.093 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.398 1.230 15.467 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.732 -2.337 15.547 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.083 -1.277 17.373 1.00 0.00 H new ATOM 570 N ALA A 35 -6.186 -2.891 9.026 1.00 0.00 N ATOM 571 CA ALA A 35 -6.651 -4.144 8.449 1.00 0.00 C ATOM 572 C ALA A 35 -5.515 -5.146 8.301 1.00 0.00 C ATOM 573 O ALA A 35 -5.687 -6.335 8.570 1.00 0.00 O ATOM 574 CB ALA A 35 -7.316 -3.894 7.105 1.00 0.00 C ATOM 0 H ALA A 35 -6.177 -2.105 8.376 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.385 -4.572 9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.658 -4.841 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.168 -3.227 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.599 -3.434 6.424 1.00 0.00 H new ATOM 580 N CYS A 36 -4.355 -4.664 7.878 1.00 0.00 N ATOM 581 CA CYS A 36 -3.198 -5.528 7.702 1.00 0.00 C ATOM 582 C CYS A 36 -2.517 -5.786 9.042 1.00 0.00 C ATOM 583 O CYS A 36 -1.827 -6.790 9.218 1.00 0.00 O ATOM 584 CB CYS A 36 -2.201 -4.908 6.718 1.00 0.00 C ATOM 585 SG CYS A 36 -2.966 -3.857 5.439 1.00 0.00 S ATOM 0 H CYS A 36 -4.191 -3.683 7.651 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.544 -6.477 7.293 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.479 -4.313 7.277 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.645 -5.708 6.230 1.00 0.00 H new ATOM 590 N ASP A 37 -2.717 -4.867 9.981 1.00 0.00 N ATOM 591 CA ASP A 37 -2.126 -4.987 11.309 1.00 0.00 C ATOM 592 C ASP A 37 -2.858 -6.026 12.154 1.00 0.00 C ATOM 593 O ASP A 37 -2.293 -6.580 13.098 1.00 0.00 O ATOM 594 CB ASP A 37 -2.143 -3.633 12.022 1.00 0.00 C ATOM 595 CG ASP A 37 -0.777 -2.975 12.045 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.389 -2.378 11.019 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.097 -3.056 13.089 1.00 0.00 O ATOM 0 H ASP A 37 -3.284 -4.030 9.847 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.095 -5.317 11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.853 -2.972 11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.496 -3.768 13.045 1.00 0.00 H new ATOM 602 N ASP A 38 -4.121 -6.273 11.820 1.00 0.00 N ATOM 603 CA ASP A 38 -4.935 -7.233 12.559 1.00 0.00 C ATOM 604 C ASP A 38 -4.300 -8.621 12.563 1.00 0.00 C ATOM 605 O ASP A 38 -4.325 -9.316 13.577 1.00 0.00 O ATOM 606 CB ASP A 38 -6.340 -7.306 11.960 1.00 0.00 C ATOM 607 CG ASP A 38 -7.421 -7.318 13.022 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.600 -6.283 13.699 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.090 -8.361 13.178 1.00 0.00 O ATOM 0 H ASP A 38 -4.603 -5.822 11.043 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.998 -6.888 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.494 -6.454 11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.425 -8.204 11.349 1.00 0.00 H new ATOM 614 N MET A 39 -3.733 -9.012 11.424 1.00 0.00 N ATOM 615 CA MET A 39 -3.091 -10.318 11.291 1.00 0.00 C ATOM 616 C MET A 39 -2.504 -10.507 9.896 1.00 0.00 C ATOM 617 O MET A 39 -1.542 -11.253 9.717 1.00 0.00 O ATOM 618 CB MET A 39 -4.094 -11.438 11.578 1.00 0.00 C ATOM 619 CG MET A 39 -3.868 -12.120 12.914 1.00 0.00 C ATOM 620 SD MET A 39 -5.091 -13.399 13.259 1.00 0.00 S ATOM 621 CE MET A 39 -4.184 -14.438 14.401 1.00 0.00 C ATOM 0 H MET A 39 -3.705 -8.442 10.578 1.00 0.00 H new ATOM 0 HA MET A 39 -2.280 -10.361 12.018 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.103 -11.027 11.554 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.034 -12.182 10.784 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.872 -12.563 12.927 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.896 -11.373 13.708 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.810 -15.276 14.706 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.285 -14.816 13.914 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.904 -13.856 15.279 1.00 0.00 H new ATOM 631 N GLU A 40 -3.099 -9.835 8.911 1.00 0.00 N ATOM 632 CA GLU A 40 -2.652 -9.928 7.524 1.00 0.00 C ATOM 633 C GLU A 40 -1.129 -9.834 7.420 1.00 0.00 C ATOM 634 O GLU A 40 -0.435 -10.851 7.454 1.00 0.00 O ATOM 635 CB GLU A 40 -3.304 -8.825 6.687 1.00 0.00 C ATOM 636 CG GLU A 40 -4.750 -9.115 6.310 1.00 0.00 C ATOM 637 CD GLU A 40 -5.554 -9.704 7.452 1.00 0.00 C ATOM 638 OE1 GLU A 40 -6.127 -8.922 8.240 1.00 0.00 O ATOM 639 OE2 GLU A 40 -5.612 -10.947 7.559 1.00 0.00 O ATOM 0 H GLU A 40 -3.898 -9.216 9.051 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.955 -10.901 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.264 -7.888 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.723 -8.681 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.225 -8.192 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.768 -9.805 5.467 1.00 0.00 H new ATOM 646 N GLY A 41 -0.616 -8.615 7.287 1.00 0.00 N ATOM 647 CA GLY A 41 0.823 -8.432 7.177 1.00 0.00 C ATOM 648 C GLY A 41 1.304 -7.087 7.691 1.00 0.00 C ATOM 649 O GLY A 41 1.487 -6.900 8.895 1.00 0.00 O ATOM 0 H GLY A 41 -1.164 -7.756 7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.325 -9.225 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.116 -8.539 6.133 1.00 0.00 H new ATOM 653 N GLN A 42 1.535 -6.164 6.768 1.00 0.00 N ATOM 654 CA GLN A 42 2.030 -4.835 7.089 1.00 0.00 C ATOM 655 C GLN A 42 1.596 -3.886 5.998 1.00 0.00 C ATOM 656 O GLN A 42 1.248 -4.328 4.909 1.00 0.00 O ATOM 657 CB GLN A 42 3.557 -4.841 7.174 1.00 0.00 C ATOM 658 CG GLN A 42 4.174 -3.451 7.191 1.00 0.00 C ATOM 659 CD GLN A 42 5.688 -3.480 7.133 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.337 -4.208 7.885 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.258 -2.684 6.237 1.00 0.00 N ATOM 0 H GLN A 42 1.383 -6.318 5.771 1.00 0.00 H new ATOM 0 HA GLN A 42 1.628 -4.521 8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.860 -5.374 8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.957 -5.396 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.793 -2.879 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.859 -2.930 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.680 -2.098 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.274 -2.658 6.151 1.00 0.00 H new ATOM 670 N LEU A 43 1.620 -2.593 6.245 1.00 0.00 N ATOM 671 CA LEU A 43 1.229 -1.702 5.190 1.00 0.00 C ATOM 672 C LEU A 43 2.376 -1.674 4.191 1.00 0.00 C ATOM 673 O LEU A 43 3.485 -1.228 4.488 1.00 0.00 O ATOM 674 CB LEU A 43 0.941 -0.304 5.744 1.00 0.00 C ATOM 675 CG LEU A 43 -0.255 0.422 5.122 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.503 -0.441 5.175 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.492 1.745 5.829 1.00 0.00 C ATOM 0 H LEU A 43 1.893 -2.157 7.126 1.00 0.00 H new ATOM 0 HA LEU A 43 0.312 -2.042 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.775 -0.386 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.829 0.312 5.605 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.027 0.620 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.338 0.098 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.330 -1.365 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.739 -0.677 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.345 2.251 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.696 1.562 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.394 2.372 5.734 1.00 0.00 H new ATOM 689 N VAL A 44 2.072 -2.216 3.022 1.00 0.00 N ATOM 690 CA VAL A 44 3.010 -2.361 1.913 1.00 0.00 C ATOM 691 C VAL A 44 4.166 -1.374 1.939 1.00 0.00 C ATOM 692 O VAL A 44 5.312 -1.756 2.177 1.00 0.00 O ATOM 693 CB VAL A 44 2.271 -2.239 0.575 1.00 0.00 C ATOM 694 CG1 VAL A 44 2.008 -3.616 -0.004 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.970 -1.473 0.760 1.00 0.00 C ATOM 0 H VAL A 44 1.142 -2.578 2.810 1.00 0.00 H new ATOM 0 HA VAL A 44 3.446 -3.353 2.028 1.00 0.00 H new ATOM 0 HB VAL A 44 2.896 -1.686 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.483 -3.517 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.956 -4.130 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.396 -4.192 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.455 -1.394 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.335 -2.001 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.187 -0.474 1.139 1.00 0.00 H new ATOM 705 N SER A 45 3.864 -0.121 1.658 1.00 0.00 N ATOM 706 CA SER A 45 4.885 0.921 1.613 1.00 0.00 C ATOM 707 C SER A 45 5.841 0.651 0.455 1.00 0.00 C ATOM 708 O SER A 45 7.056 0.561 0.636 1.00 0.00 O ATOM 709 CB SER A 45 5.660 0.984 2.928 1.00 0.00 C ATOM 710 OG SER A 45 5.956 2.322 3.281 1.00 0.00 O ATOM 0 H SER A 45 2.919 0.206 1.456 1.00 0.00 H new ATOM 0 HA SER A 45 4.394 1.882 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.076 0.516 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.586 0.416 2.836 1.00 0.00 H new ATOM 0 HG SER A 45 6.857 2.368 3.663 1.00 0.00 H new ATOM 716 N ILE A 46 5.262 0.501 -0.731 1.00 0.00 N ATOM 717 CA ILE A 46 6.016 0.216 -1.952 1.00 0.00 C ATOM 718 C ILE A 46 7.273 1.075 -2.056 1.00 0.00 C ATOM 719 O ILE A 46 7.276 2.245 -1.677 1.00 0.00 O ATOM 720 CB ILE A 46 5.157 0.432 -3.220 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.831 1.124 -2.877 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.899 -0.893 -3.926 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.771 0.187 -2.335 1.00 0.00 C ATOM 0 H ILE A 46 4.255 0.573 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 46 6.305 -0.833 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 46 5.714 1.082 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.020 1.906 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.446 1.614 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.293 -0.719 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.849 -1.342 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.370 -1.567 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.864 0.751 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.551 -0.581 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.134 -0.284 -1.421 1.00 0.00 H new ATOM 735 N HIS A 47 8.341 0.475 -2.577 1.00 0.00 N ATOM 736 CA HIS A 47 9.615 1.167 -2.742 1.00 0.00 C ATOM 737 C HIS A 47 10.183 0.929 -4.137 1.00 0.00 C ATOM 738 O HIS A 47 11.236 1.461 -4.487 1.00 0.00 O ATOM 739 CB HIS A 47 10.617 0.695 -1.686 1.00 0.00 C ATOM 740 CG HIS A 47 10.621 -0.789 -1.486 1.00 0.00 C ATOM 741 ND1 HIS A 47 10.846 -1.686 -2.508 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.430 -1.533 -0.371 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.790 -2.918 -2.032 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.540 -2.852 -0.738 1.00 0.00 N ATOM 0 H HIS A 47 8.348 -0.495 -2.893 1.00 0.00 H new ATOM 0 HA HIS A 47 9.440 2.235 -2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.617 1.017 -1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.389 1.181 -0.737 1.00 0.00 H new ATOM 0 HD1 HIS A 47 11.028 -1.438 -3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.229 -1.159 0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.926 -3.824 -2.604 1.00 0.00 H new ATOM 753 N SER A 48 9.475 0.131 -4.934 1.00 0.00 N ATOM 754 CA SER A 48 9.905 -0.172 -6.289 1.00 0.00 C ATOM 755 C SER A 48 8.834 0.245 -7.285 1.00 0.00 C ATOM 756 O SER A 48 7.692 -0.205 -7.198 1.00 0.00 O ATOM 757 CB SER A 48 10.203 -1.665 -6.434 1.00 0.00 C ATOM 758 OG SER A 48 10.448 -2.006 -7.788 1.00 0.00 O ATOM 0 H SER A 48 8.600 -0.316 -4.660 1.00 0.00 H new ATOM 0 HA SER A 48 10.817 0.387 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.070 -1.927 -5.827 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.362 -2.246 -6.056 1.00 0.00 H new ATOM 0 HG SER A 48 10.637 -2.965 -7.855 1.00 0.00 H new ATOM 764 N PRO A 49 9.184 1.115 -8.249 1.00 0.00 N ATOM 765 CA PRO A 49 8.238 1.584 -9.260 1.00 0.00 C ATOM 766 C PRO A 49 7.432 0.436 -9.856 1.00 0.00 C ATOM 767 O PRO A 49 6.291 0.617 -10.279 1.00 0.00 O ATOM 768 CB PRO A 49 9.145 2.223 -10.311 1.00 0.00 C ATOM 769 CG PRO A 49 10.321 2.706 -9.534 1.00 0.00 C ATOM 770 CD PRO A 49 10.526 1.705 -8.429 1.00 0.00 C ATOM 0 HA PRO A 49 7.494 2.270 -8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.440 1.502 -11.073 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.643 3.043 -10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.206 2.775 -10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.140 3.702 -9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.263 0.950 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.881 2.182 -7.515 1.00 0.00 H new ATOM 778 N GLU A 50 8.032 -0.751 -9.869 1.00 0.00 N ATOM 779 CA GLU A 50 7.368 -1.934 -10.391 1.00 0.00 C ATOM 780 C GLU A 50 6.294 -2.418 -9.432 1.00 0.00 C ATOM 781 O GLU A 50 5.177 -2.729 -9.840 1.00 0.00 O ATOM 782 CB GLU A 50 8.375 -3.056 -10.634 1.00 0.00 C ATOM 783 CG GLU A 50 7.729 -4.364 -11.049 1.00 0.00 C ATOM 784 CD GLU A 50 8.637 -5.559 -10.826 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.992 -5.826 -9.660 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.991 -6.227 -11.821 1.00 0.00 O ATOM 0 H GLU A 50 8.977 -0.916 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 50 6.902 -1.661 -11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.076 -2.744 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.955 -3.218 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.806 -4.504 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.455 -4.312 -12.103 1.00 0.00 H new ATOM 793 N GLU A 51 6.647 -2.490 -8.153 1.00 0.00 N ATOM 794 CA GLU A 51 5.718 -2.946 -7.135 1.00 0.00 C ATOM 795 C GLU A 51 4.540 -1.988 -7.021 1.00 0.00 C ATOM 796 O GLU A 51 3.390 -2.415 -6.937 1.00 0.00 O ATOM 797 CB GLU A 51 6.429 -3.085 -5.788 1.00 0.00 C ATOM 798 CG GLU A 51 7.332 -4.304 -5.701 1.00 0.00 C ATOM 799 CD GLU A 51 8.380 -4.176 -4.612 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.010 -3.824 -3.472 1.00 0.00 O ATOM 801 OE2 GLU A 51 9.569 -4.428 -4.899 1.00 0.00 O ATOM 0 H GLU A 51 7.570 -2.238 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 51 5.338 -3.925 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.023 -2.189 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.682 -3.139 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.724 -5.189 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.827 -4.455 -6.661 1.00 0.00 H new ATOM 808 N GLN A 52 4.833 -0.691 -7.033 1.00 0.00 N ATOM 809 CA GLN A 52 3.792 0.324 -6.946 1.00 0.00 C ATOM 810 C GLN A 52 2.861 0.218 -8.144 1.00 0.00 C ATOM 811 O GLN A 52 1.642 0.295 -8.008 1.00 0.00 O ATOM 812 CB GLN A 52 4.410 1.728 -6.862 1.00 0.00 C ATOM 813 CG GLN A 52 4.800 2.322 -8.213 1.00 0.00 C ATOM 814 CD GLN A 52 3.636 2.925 -8.993 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.498 3.135 -8.338 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 3.764 3.201 -10.186 1.00 0.00 N flip ATOM 0 H GLN A 52 5.781 -0.320 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 52 3.214 0.155 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.700 2.397 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.295 1.686 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.554 3.093 -8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.264 1.543 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.652 3.027 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.982 3.604 -10.703 1.00 0.00 H new ATOM 825 N ASP A 53 3.450 0.020 -9.315 1.00 0.00 N ATOM 826 CA ASP A 53 2.692 -0.122 -10.545 1.00 0.00 C ATOM 827 C ASP A 53 1.887 -1.408 -10.503 1.00 0.00 C ATOM 828 O ASP A 53 0.778 -1.485 -11.027 1.00 0.00 O ATOM 829 CB ASP A 53 3.629 -0.125 -11.753 1.00 0.00 C ATOM 830 CG ASP A 53 2.889 0.089 -13.060 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.542 1.250 -13.362 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.657 -0.903 -13.781 1.00 0.00 O ATOM 0 H ASP A 53 4.461 -0.046 -9.437 1.00 0.00 H new ATOM 0 HA ASP A 53 2.011 0.724 -10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.378 0.658 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.163 -1.074 -11.792 1.00 0.00 H new ATOM 837 N PHE A 54 2.477 -2.424 -9.887 1.00 0.00 N ATOM 838 CA PHE A 54 1.858 -3.729 -9.774 1.00 0.00 C ATOM 839 C PHE A 54 0.537 -3.663 -9.019 1.00 0.00 C ATOM 840 O PHE A 54 -0.486 -4.155 -9.495 1.00 0.00 O ATOM 841 CB PHE A 54 2.819 -4.660 -9.039 1.00 0.00 C ATOM 842 CG PHE A 54 3.304 -5.810 -9.864 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.540 -6.955 -9.993 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.529 -5.746 -10.504 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.988 -8.019 -10.748 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.985 -6.805 -11.262 1.00 0.00 C ATOM 847 CZ PHE A 54 4.214 -7.946 -11.385 1.00 0.00 C ATOM 0 H PHE A 54 3.398 -2.362 -9.453 1.00 0.00 H new ATOM 0 HA PHE A 54 1.647 -4.102 -10.776 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.679 -4.083 -8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.323 -5.048 -8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.582 -7.017 -9.497 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.135 -4.857 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.382 -8.908 -10.842 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.942 -6.743 -11.758 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.568 -8.778 -11.976 1.00 0.00 H new ATOM 857 N LEU A 55 0.562 -3.047 -7.845 1.00 0.00 N ATOM 858 CA LEU A 55 -0.640 -2.911 -7.035 1.00 0.00 C ATOM 859 C LEU A 55 -1.570 -1.864 -7.616 1.00 0.00 C ATOM 860 O LEU A 55 -2.785 -2.027 -7.597 1.00 0.00 O ATOM 861 CB LEU A 55 -0.295 -2.549 -5.600 1.00 0.00 C ATOM 862 CG LEU A 55 0.937 -1.682 -5.443 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.529 -0.230 -5.296 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.755 -2.151 -4.257 1.00 0.00 C ATOM 0 H LEU A 55 1.399 -2.635 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.147 -3.876 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.145 -2.031 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.150 -3.468 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 55 1.560 -1.769 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.419 0.389 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.022 0.085 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.105 -0.117 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.639 -1.521 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.153 -2.085 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.063 -3.185 -4.413 1.00 0.00 H new ATOM 876 N THR A 56 -0.991 -0.782 -8.127 1.00 0.00 N ATOM 877 CA THR A 56 -1.776 0.288 -8.710 1.00 0.00 C ATOM 878 C THR A 56 -2.578 -0.249 -9.888 1.00 0.00 C ATOM 879 O THR A 56 -3.740 0.109 -10.081 1.00 0.00 O ATOM 880 CB THR A 56 -0.864 1.438 -9.151 1.00 0.00 C ATOM 881 OG1 THR A 56 -1.211 2.638 -8.484 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.910 1.711 -10.636 1.00 0.00 C ATOM 0 H THR A 56 0.017 -0.628 -8.147 1.00 0.00 H new ATOM 0 HA THR A 56 -2.468 0.674 -7.962 1.00 0.00 H new ATOM 0 HB THR A 56 0.144 1.116 -8.891 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.616 3.359 -8.778 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.240 2.537 -10.875 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.596 0.820 -11.180 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.927 1.973 -10.926 1.00 0.00 H new ATOM 890 N LYS A 57 -1.949 -1.131 -10.661 1.00 0.00 N ATOM 891 CA LYS A 57 -2.601 -1.743 -11.805 1.00 0.00 C ATOM 892 C LYS A 57 -3.606 -2.774 -11.322 1.00 0.00 C ATOM 893 O LYS A 57 -4.678 -2.941 -11.902 1.00 0.00 O ATOM 894 CB LYS A 57 -1.571 -2.406 -12.719 1.00 0.00 C ATOM 895 CG LYS A 57 -0.859 -1.432 -13.643 1.00 0.00 C ATOM 896 CD LYS A 57 -1.715 -1.085 -14.851 1.00 0.00 C ATOM 897 CE LYS A 57 -2.379 0.273 -14.688 1.00 0.00 C ATOM 898 NZ LYS A 57 -1.680 1.331 -15.469 1.00 0.00 N ATOM 0 H LYS A 57 -0.987 -1.435 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.117 -0.969 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.830 -2.919 -12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.068 -3.167 -13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.614 -0.522 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.083 -1.867 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.097 -1.084 -15.749 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.478 -1.851 -14.990 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.418 0.210 -15.011 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.389 0.548 -13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.164 2.241 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.695 1.409 -15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.692 1.082 -16.479 1.00 0.00 H new ATOM 912 N HIS A 58 -3.246 -3.454 -10.238 1.00 0.00 N ATOM 913 CA HIS A 58 -4.107 -4.464 -9.647 1.00 0.00 C ATOM 914 C HIS A 58 -5.333 -3.811 -9.021 1.00 0.00 C ATOM 915 O HIS A 58 -6.415 -4.395 -8.992 1.00 0.00 O ATOM 916 CB HIS A 58 -3.346 -5.256 -8.589 1.00 0.00 C ATOM 917 CG HIS A 58 -3.701 -6.711 -8.572 1.00 0.00 C ATOM 918 ND1 HIS A 58 -4.995 -7.167 -8.434 1.00 0.00 N ATOM 919 CD2 HIS A 58 -2.925 -7.814 -8.687 1.00 0.00 C ATOM 920 CE1 HIS A 58 -4.999 -8.488 -8.464 1.00 0.00 C ATOM 921 NE2 HIS A 58 -3.757 -8.905 -8.618 1.00 0.00 N ATOM 0 H HIS A 58 -2.359 -3.321 -9.752 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.431 -5.145 -10.434 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.276 -5.152 -8.767 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.549 -4.828 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.852 -7.833 -8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.871 -9.119 -8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.462 -9.880 -8.676 1.00 0.00 H new ATOM 983 N GLY A 63 -7.665 2.855 -6.319 1.00 0.00 N ATOM 984 CA GLY A 63 -6.295 2.941 -5.848 1.00 0.00 C ATOM 985 C GLY A 63 -6.000 1.966 -4.726 1.00 0.00 C ATOM 986 O GLY A 63 -6.893 1.265 -4.254 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.617 2.748 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.097 3.956 -5.503 1.00 0.00 H new ATOM 990 N SER A 64 -4.742 1.927 -4.297 1.00 0.00 N ATOM 991 CA SER A 64 -4.319 1.034 -3.221 1.00 0.00 C ATOM 992 C SER A 64 -3.731 1.834 -2.064 1.00 0.00 C ATOM 993 O SER A 64 -3.376 3.001 -2.230 1.00 0.00 O ATOM 994 CB SER A 64 -3.290 0.026 -3.737 1.00 0.00 C ATOM 995 OG SER A 64 -1.971 0.515 -3.573 1.00 0.00 O ATOM 0 H SER A 64 -3.994 2.506 -4.679 1.00 0.00 H new ATOM 0 HA SER A 64 -5.194 0.491 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.401 -0.917 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.476 -0.181 -4.791 1.00 0.00 H new ATOM 0 HG SER A 64 -1.515 -0.001 -2.876 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.624 1.212 -0.892 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.070 1.902 0.269 1.00 0.00 C ATOM 1003 C TRP A 65 -1.676 1.392 0.578 1.00 0.00 C ATOM 1004 O TRP A 65 -1.433 0.187 0.606 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.979 1.751 1.491 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.102 2.740 1.503 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -4.995 4.095 1.621 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.500 2.456 1.382 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.242 4.672 1.584 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.182 3.687 1.437 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.241 1.281 1.234 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.568 3.773 1.346 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.617 1.369 1.145 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.269 2.607 1.201 1.00 0.00 C ATOM 0 H TRP A 65 -3.909 0.247 -0.722 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.007 2.963 0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.390 0.741 1.510 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.385 1.871 2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.066 4.635 1.728 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.436 5.671 1.655 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.747 0.321 1.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.073 4.727 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.200 0.467 1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.346 2.642 1.128 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.762 2.326 0.790 1.00 0.00 N ATOM 1026 CA ILE A 66 0.620 1.992 1.076 1.00 0.00 C ATOM 1027 C ILE A 66 1.002 2.364 2.499 1.00 0.00 C ATOM 1028 O ILE A 66 0.277 3.082 3.184 1.00 0.00 O ATOM 1029 CB ILE A 66 1.570 2.682 0.086 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.818 4.135 0.496 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.987 2.613 -1.317 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.337 5.002 -0.630 1.00 0.00 C ATOM 0 H ILE A 66 -0.957 3.327 0.769 1.00 0.00 H new ATOM 0 HA ILE A 66 0.717 0.912 0.965 1.00 0.00 H new ATOM 0 HB ILE A 66 2.528 2.163 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.888 4.561 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.534 4.155 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.664 3.104 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.859 1.570 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.020 3.116 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.490 6.018 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.283 4.600 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.612 5.013 -1.444 1.00 0.00 H new ATOM 1044 N GLY A 67 2.146 1.855 2.931 1.00 0.00 N ATOM 1045 CA GLY A 67 2.630 2.120 4.270 1.00 0.00 C ATOM 1046 C GLY A 67 3.217 3.503 4.418 1.00 0.00 C ATOM 1047 O GLY A 67 4.364 3.654 4.835 1.00 0.00 O ATOM 0 H GLY A 67 2.754 1.257 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.810 2.001 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.386 1.380 4.531 1.00 0.00 H new ATOM 1051 N LEU A 68 2.436 4.518 4.075 1.00 0.00 N ATOM 1052 CA LEU A 68 2.905 5.892 4.176 1.00 0.00 C ATOM 1053 C LEU A 68 2.007 6.749 5.061 1.00 0.00 C ATOM 1054 O LEU A 68 0.798 6.838 4.854 1.00 0.00 O ATOM 1055 CB LEU A 68 3.002 6.527 2.790 1.00 0.00 C ATOM 1056 CG LEU A 68 3.914 7.756 2.703 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.279 8.956 3.389 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.268 7.455 3.316 1.00 0.00 C ATOM 0 H LEU A 68 1.482 4.417 3.727 1.00 0.00 H new ATOM 0 HA LEU A 68 3.892 5.853 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.362 5.776 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.001 6.812 2.467 1.00 0.00 H new ATOM 0 HG LEU A 68 4.052 8.000 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.947 9.814 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.330 9.191 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.105 8.724 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.903 8.338 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.141 7.182 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.735 6.629 2.780 1.00 0.00 H new ATOM 1070 N ARG A 69 2.639 7.409 6.022 1.00 0.00 N ATOM 1071 CA ARG A 69 1.958 8.312 6.936 1.00 0.00 C ATOM 1072 C ARG A 69 2.818 9.558 7.144 1.00 0.00 C ATOM 1073 O ARG A 69 3.961 9.458 7.591 1.00 0.00 O ATOM 1074 CB ARG A 69 1.680 7.611 8.270 1.00 0.00 C ATOM 1075 CG ARG A 69 1.751 8.526 9.483 1.00 0.00 C ATOM 1076 CD ARG A 69 1.759 7.733 10.780 1.00 0.00 C ATOM 1077 NE ARG A 69 1.165 8.482 11.884 1.00 0.00 N ATOM 1078 CZ ARG A 69 -0.069 8.277 12.336 1.00 0.00 C ATOM 1079 NH1 ARG A 69 -0.838 7.352 11.777 1.00 0.00 N ATOM 1080 NH2 ARG A 69 -0.535 8.999 13.345 1.00 0.00 N ATOM 0 H ARG A 69 3.642 7.332 6.189 1.00 0.00 H new ATOM 0 HA ARG A 69 1.000 8.609 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.690 7.157 8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.398 6.801 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.650 9.140 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.900 9.207 9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.212 6.801 10.638 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.784 7.465 11.034 1.00 0.00 H new ATOM 0 HE ARG A 69 1.728 9.203 12.334 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.483 6.796 10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.784 7.197 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.053 9.713 13.776 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.481 8.841 13.691 1.00 0.00 H new ATOM 1094 N ASN A 70 2.280 10.726 6.814 1.00 0.00 N ATOM 1095 CA ASN A 70 3.029 11.969 6.967 1.00 0.00 C ATOM 1096 C ASN A 70 2.709 12.641 8.297 1.00 0.00 C ATOM 1097 O ASN A 70 1.548 12.735 8.695 1.00 0.00 O ATOM 1098 CB ASN A 70 2.731 12.921 5.806 1.00 0.00 C ATOM 1099 CG ASN A 70 3.787 13.999 5.660 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.053 14.756 6.594 1.00 0.00 O ATOM 1101 ND2 ASN A 70 4.396 14.075 4.481 1.00 0.00 N ATOM 0 H ASN A 70 1.337 10.839 6.442 1.00 0.00 H new ATOM 0 HA ASN A 70 4.091 11.725 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.666 12.351 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.758 13.387 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.115 14.781 4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.144 13.427 3.734 1.00 0.00 H new ATOM 1202 N PHE A 77 6.913 12.869 4.984 1.00 0.00 N ATOM 1203 CA PHE A 77 6.277 11.563 4.914 1.00 0.00 C ATOM 1204 C PHE A 77 7.144 10.485 5.561 1.00 0.00 C ATOM 1205 O PHE A 77 8.354 10.424 5.349 1.00 0.00 O ATOM 1206 CB PHE A 77 5.953 11.186 3.458 1.00 0.00 C ATOM 1207 CG PHE A 77 7.075 11.390 2.462 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.341 11.800 2.860 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.852 11.153 1.114 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.356 11.974 1.938 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.866 11.324 0.189 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.117 11.736 0.602 1.00 0.00 C ATOM 0 HA PHE A 77 5.343 11.625 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.654 10.138 3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.093 11.771 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.535 11.986 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.876 10.831 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.334 12.296 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.679 11.135 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.908 11.872 -0.121 1.00 0.00 H new ATOM 1222 N ILE A 78 6.504 9.640 6.357 1.00 0.00 N ATOM 1223 CA ILE A 78 7.184 8.557 7.051 1.00 0.00 C ATOM 1224 C ILE A 78 6.404 7.256 6.897 1.00 0.00 C ATOM 1225 O ILE A 78 5.178 7.257 6.931 1.00 0.00 O ATOM 1226 CB ILE A 78 7.371 8.883 8.548 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.735 9.559 8.761 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.221 7.626 9.400 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.627 8.882 9.783 1.00 0.00 C ATOM 0 H ILE A 78 5.501 9.686 6.539 1.00 0.00 H new ATOM 0 HA ILE A 78 8.170 8.439 6.601 1.00 0.00 H new ATOM 0 HB ILE A 78 6.593 9.577 8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.261 9.593 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.569 10.591 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.357 7.881 10.451 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.226 7.204 9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.972 6.894 9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.566 9.429 9.865 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.127 8.871 10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.830 7.858 9.468 1.00 0.00 H new ATOM 1241 N TRP A 79 7.115 6.149 6.724 1.00 0.00 N ATOM 1242 CA TRP A 79 6.464 4.855 6.557 1.00 0.00 C ATOM 1243 C TRP A 79 5.907 4.353 7.884 1.00 0.00 C ATOM 1244 O TRP A 79 6.440 4.659 8.949 1.00 0.00 O ATOM 1245 CB TRP A 79 7.452 3.823 5.998 1.00 0.00 C ATOM 1246 CG TRP A 79 7.940 4.128 4.612 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.677 5.243 3.869 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.786 3.300 3.804 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.304 5.157 2.649 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.991 3.973 2.585 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.388 2.052 3.993 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.773 3.442 1.562 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.164 1.527 2.977 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.351 2.221 1.776 1.00 0.00 C ATOM 0 H TRP A 79 8.134 6.120 6.696 1.00 0.00 H new ATOM 0 HA TRP A 79 5.642 4.985 5.853 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.310 3.758 6.667 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.974 2.843 5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.065 6.072 4.193 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.264 5.860 1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.249 1.508 4.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.918 3.975 0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.634 0.564 3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.964 1.783 1.002 1.00 0.00 H new ATOM 1265 N VAL A 80 4.830 3.576 7.806 1.00 0.00 N ATOM 1266 CA VAL A 80 4.194 3.017 8.995 1.00 0.00 C ATOM 1267 C VAL A 80 5.183 2.149 9.768 1.00 0.00 C ATOM 1268 O VAL A 80 5.057 1.963 10.979 1.00 0.00 O ATOM 1269 CB VAL A 80 2.955 2.175 8.617 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.206 1.417 7.329 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.571 1.220 9.740 1.00 0.00 C ATOM 0 H VAL A 80 4.378 3.319 6.928 1.00 0.00 H new ATOM 0 HA VAL A 80 3.874 3.848 9.623 1.00 0.00 H new ATOM 0 HB VAL A 80 2.118 2.856 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.324 0.828 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.414 2.124 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.061 0.753 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.696 0.642 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.401 0.543 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.341 1.790 10.640 1.00 0.00 H new ATOM 1281 N ASP A 81 6.175 1.630 9.053 1.00 0.00 N ATOM 1282 CA ASP A 81 7.197 0.786 9.656 1.00 0.00 C ATOM 1283 C ASP A 81 8.207 1.632 10.421 1.00 0.00 C ATOM 1284 O ASP A 81 9.139 1.107 11.032 1.00 0.00 O ATOM 1285 CB ASP A 81 7.910 -0.032 8.578 1.00 0.00 C ATOM 1286 CG ASP A 81 8.616 -1.248 9.147 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.962 -2.035 9.860 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.824 -1.411 8.877 1.00 0.00 O ATOM 0 H ASP A 81 6.292 1.781 8.051 1.00 0.00 H new ATOM 0 HA ASP A 81 6.712 0.105 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.185 -0.353 7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.636 0.600 8.067 1.00 0.00 H new ATOM 1293 N GLY A 82 8.009 2.944 10.384 1.00 0.00 N ATOM 1294 CA GLY A 82 8.898 3.852 11.078 1.00 0.00 C ATOM 1295 C GLY A 82 10.155 4.164 10.289 1.00 0.00 C ATOM 1296 O GLY A 82 11.249 4.206 10.851 1.00 0.00 O ATOM 0 H GLY A 82 7.244 3.396 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.368 4.781 11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.176 3.418 12.038 1.00 0.00 H new ATOM 1300 N SER A 83 10.002 4.386 8.987 1.00 0.00 N ATOM 1301 CA SER A 83 11.143 4.697 8.131 1.00 0.00 C ATOM 1302 C SER A 83 10.777 5.739 7.077 1.00 0.00 C ATOM 1303 O SER A 83 9.896 5.513 6.251 1.00 0.00 O ATOM 1304 CB SER A 83 11.657 3.427 7.451 1.00 0.00 C ATOM 1305 OG SER A 83 12.438 2.650 8.344 1.00 0.00 O ATOM 0 H SER A 83 9.104 4.357 8.503 1.00 0.00 H new ATOM 0 HA SER A 83 11.930 5.111 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.814 2.836 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.254 3.694 6.579 1.00 0.00 H new ATOM 0 HG SER A 83 12.336 2.997 9.255 1.00 0.00 H new ATOM 1311 N HIS A 84 11.464 6.879 7.109 1.00 0.00 N ATOM 1312 CA HIS A 84 11.216 7.952 6.156 1.00 0.00 C ATOM 1313 C HIS A 84 11.268 7.431 4.723 1.00 0.00 C ATOM 1314 O HIS A 84 11.973 6.466 4.427 1.00 0.00 O ATOM 1315 CB HIS A 84 12.243 9.070 6.342 1.00 0.00 C ATOM 1316 CG HIS A 84 13.618 8.575 6.667 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.051 8.348 7.957 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.660 8.261 5.862 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.300 7.917 7.930 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.692 7.855 6.671 1.00 0.00 N ATOM 0 H HIS A 84 12.198 7.081 7.788 1.00 0.00 H new ATOM 0 HA HIS A 84 10.218 8.348 6.342 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.287 9.666 5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.906 9.732 7.140 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.676 8.319 4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.898 7.659 8.791 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.613 7.554 6.351 1.00 0.00 H new ATOM 1329 N VAL A 85 10.510 8.073 3.843 1.00 0.00 N ATOM 1330 CA VAL A 85 10.458 7.677 2.440 1.00 0.00 C ATOM 1331 C VAL A 85 11.833 7.755 1.786 1.00 0.00 C ATOM 1332 O VAL A 85 12.671 8.572 2.170 1.00 0.00 O ATOM 1333 CB VAL A 85 9.457 8.550 1.662 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.447 8.197 0.185 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.075 8.390 2.258 1.00 0.00 C ATOM 0 H VAL A 85 9.921 8.872 4.076 1.00 0.00 H new ATOM 0 HA VAL A 85 10.123 6.640 2.408 1.00 0.00 H new ATOM 0 HB VAL A 85 9.767 9.592 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.730 8.831 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.441 8.354 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.163 7.152 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.367 9.009 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.770 7.345 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.091 8.701 3.303 1.00 0.00 H new ATOM 1345 N ASP A 86 12.062 6.886 0.805 1.00 0.00 N ATOM 1346 CA ASP A 86 13.341 6.839 0.105 1.00 0.00 C ATOM 1347 C ASP A 86 13.197 7.223 -1.365 1.00 0.00 C ATOM 1348 O ASP A 86 13.840 8.162 -1.835 1.00 0.00 O ATOM 1349 CB ASP A 86 13.942 5.437 0.212 1.00 0.00 C ATOM 1350 CG ASP A 86 14.169 5.013 1.650 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.838 5.763 2.391 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.677 3.930 2.034 1.00 0.00 O ATOM 0 H ASP A 86 11.377 6.205 0.477 1.00 0.00 H new ATOM 0 HA ASP A 86 14.003 7.564 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.278 4.722 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.890 5.409 -0.326 1.00 0.00 H new ATOM 1357 N TYR A 87 12.370 6.478 -2.093 1.00 0.00 N ATOM 1358 CA TYR A 87 12.171 6.730 -3.516 1.00 0.00 C ATOM 1359 C TYR A 87 10.965 7.625 -3.780 1.00 0.00 C ATOM 1360 O TYR A 87 11.049 8.567 -4.569 1.00 0.00 O ATOM 1361 CB TYR A 87 12.006 5.406 -4.270 1.00 0.00 C ATOM 1362 CG TYR A 87 13.122 4.418 -4.010 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.044 3.513 -2.958 1.00 0.00 C ATOM 1364 CD2 TYR A 87 14.252 4.391 -4.817 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.061 2.610 -2.717 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.273 3.489 -4.584 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.173 2.601 -3.533 1.00 0.00 C ATOM 1368 OH TYR A 87 16.188 1.703 -3.298 1.00 0.00 O ATOM 0 H TYR A 87 11.829 5.697 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 87 13.057 7.253 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.057 4.952 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.955 5.610 -5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.174 3.516 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.334 5.086 -5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.986 1.915 -1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.145 3.479 -5.222 1.00 0.00 H new ATOM 0 HH TYR A 87 16.896 1.828 -3.964 1.00 0.00 H new ATOM 1378 N SER A 88 9.843 7.315 -3.138 1.00 0.00 N ATOM 1379 CA SER A 88 8.609 8.078 -3.326 1.00 0.00 C ATOM 1380 C SER A 88 8.195 8.051 -4.794 1.00 0.00 C ATOM 1381 O SER A 88 8.979 7.669 -5.663 1.00 0.00 O ATOM 1382 CB SER A 88 8.767 9.524 -2.841 1.00 0.00 C ATOM 1383 OG SER A 88 10.097 9.794 -2.433 1.00 0.00 O ATOM 0 H SER A 88 9.761 6.539 -2.481 1.00 0.00 H new ATOM 0 HA SER A 88 7.827 7.611 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.484 10.209 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.086 9.706 -2.009 1.00 0.00 H new ATOM 0 HG SER A 88 10.164 10.724 -2.131 1.00 0.00 H new ATOM 1389 N ASN A 89 6.959 8.439 -5.071 1.00 0.00 N ATOM 1390 CA ASN A 89 6.462 8.433 -6.439 1.00 0.00 C ATOM 1391 C ASN A 89 5.873 9.788 -6.822 1.00 0.00 C ATOM 1392 O ASN A 89 5.962 10.194 -7.980 1.00 0.00 O ATOM 1393 CB ASN A 89 5.432 7.313 -6.610 1.00 0.00 C ATOM 1394 CG ASN A 89 6.084 5.949 -6.686 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.277 4.918 -6.899 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 7.302 5.819 -6.557 1.00 0.00 N flip ATOM 0 H ASN A 89 6.287 8.759 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 89 7.298 8.246 -7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.732 7.334 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.853 7.489 -7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.888 6.638 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.725 4.892 -6.613 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.403 11.069 4.356 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.334 9.725 3.800 1.00 0.00 C ATOM 1600 C CYS A 104 -1.113 9.781 2.292 1.00 0.00 C ATOM 1601 O CYS A 104 -1.470 10.760 1.636 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.616 8.944 4.108 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.587 9.611 5.498 1.00 0.00 S ATOM 0 HA CYS A 104 -0.491 9.212 4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.242 8.931 3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.353 7.909 4.328 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.108 10.769 5.846 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.523 8.727 1.750 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.258 8.660 0.323 1.00 0.00 C ATOM 1610 C VAL A 105 -1.157 7.636 -0.359 1.00 0.00 C ATOM 1611 O VAL A 105 -1.246 6.483 0.065 1.00 0.00 O ATOM 1612 CB VAL A 105 1.216 8.325 0.038 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.420 8.003 -1.431 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.104 9.486 0.447 1.00 0.00 C ATOM 0 H VAL A 105 -0.219 7.908 2.276 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.475 9.647 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 105 1.488 7.447 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.469 7.769 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.805 7.145 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.132 8.863 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.145 9.238 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.824 10.375 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.981 9.680 1.513 1.00 0.00 H new ATOM 1624 N MET A 106 -1.823 8.077 -1.417 1.00 0.00 N ATOM 1625 CA MET A 106 -2.727 7.230 -2.180 1.00 0.00 C ATOM 1626 C MET A 106 -2.246 7.101 -3.620 1.00 0.00 C ATOM 1627 O MET A 106 -1.346 7.816 -4.042 1.00 0.00 O ATOM 1628 CB MET A 106 -4.145 7.804 -2.147 1.00 0.00 C ATOM 1629 CG MET A 106 -4.286 9.122 -2.890 1.00 0.00 C ATOM 1630 SD MET A 106 -6.000 9.512 -3.294 1.00 0.00 S ATOM 1631 CE MET A 106 -6.359 8.240 -4.504 1.00 0.00 C ATOM 0 H MET A 106 -1.752 9.031 -1.770 1.00 0.00 H new ATOM 0 HA MET A 106 -2.739 6.239 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.832 7.077 -2.580 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.446 7.948 -1.109 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.869 9.924 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.701 9.081 -3.809 1.00 0.00 H new ATOM 0 HE1 MET A 106 -7.362 7.848 -4.334 1.00 0.00 H new ATOM 0 HE2 MET A 106 -6.301 8.664 -5.506 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.633 7.432 -4.409 1.00 0.00 H new ATOM 1641 N MET A 107 -2.847 6.192 -4.372 1.00 0.00 N ATOM 1642 CA MET A 107 -2.460 5.994 -5.764 1.00 0.00 C ATOM 1643 C MET A 107 -3.644 6.220 -6.689 1.00 0.00 C ATOM 1644 O MET A 107 -4.728 5.675 -6.480 1.00 0.00 O ATOM 1645 CB MET A 107 -1.919 4.586 -5.999 1.00 0.00 C ATOM 1646 CG MET A 107 -1.793 3.743 -4.746 1.00 0.00 C ATOM 1647 SD MET A 107 -0.084 3.303 -4.383 1.00 0.00 S ATOM 1648 CE MET A 107 0.538 2.957 -6.028 1.00 0.00 C ATOM 0 H MET A 107 -3.598 5.583 -4.047 1.00 0.00 H new ATOM 0 HA MET A 107 -1.676 6.719 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.573 4.072 -6.703 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.939 4.661 -6.471 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.212 4.289 -3.901 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.383 2.834 -4.862 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.547 2.551 -5.958 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.111 2.231 -6.517 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.557 3.878 -6.611 1.00 0.00 H new ATOM 1707 N ARG A 112 0.158 6.317 -10.432 1.00 0.00 N ATOM 1708 CA ARG A 112 1.243 6.708 -9.545 1.00 0.00 C ATOM 1709 C ARG A 112 0.730 6.979 -8.133 1.00 0.00 C ATOM 1710 O ARG A 112 -0.310 6.467 -7.727 1.00 0.00 O ATOM 1711 CB ARG A 112 1.947 7.952 -10.089 1.00 0.00 C ATOM 1712 CG ARG A 112 2.174 7.918 -11.589 1.00 0.00 C ATOM 1713 CD ARG A 112 1.076 8.656 -12.338 1.00 0.00 C ATOM 1714 NE ARG A 112 1.418 8.866 -13.742 1.00 0.00 N ATOM 1715 CZ ARG A 112 1.850 10.023 -14.232 1.00 0.00 C ATOM 1716 NH1 ARG A 112 1.992 11.074 -13.433 1.00 0.00 N ATOM 1717 NH2 ARG A 112 2.141 10.134 -15.521 1.00 0.00 N ATOM 0 HA ARG A 112 1.953 5.883 -9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.354 8.832 -9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.908 8.063 -9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.139 8.367 -11.822 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.214 6.883 -11.928 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.148 8.089 -12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.896 9.619 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 112 1.320 8.079 -14.384 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.769 10.994 -12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.324 11.961 -13.811 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.033 9.330 -16.139 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.472 11.024 -15.894 1.00 0.00 H new ATOM 1731 N TRP A 113 1.484 7.784 -7.394 1.00 0.00 N ATOM 1732 CA TRP A 113 1.147 8.136 -6.022 1.00 0.00 C ATOM 1733 C TRP A 113 0.665 9.563 -5.903 1.00 0.00 C ATOM 1734 O TRP A 113 0.947 10.415 -6.742 1.00 0.00 O ATOM 1735 CB TRP A 113 2.364 8.048 -5.112 1.00 0.00 C ATOM 1736 CG TRP A 113 2.852 6.680 -4.817 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.576 5.532 -5.486 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.746 6.338 -3.763 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.250 4.487 -4.912 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.976 4.956 -3.844 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.372 7.077 -2.758 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.815 4.290 -2.952 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.204 6.418 -1.872 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.421 5.037 -1.975 1.00 0.00 C ATOM 0 H TRP A 113 2.347 8.211 -7.730 1.00 0.00 H new ATOM 0 HA TRP A 113 0.368 7.431 -5.731 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.177 8.613 -5.569 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.125 8.539 -4.169 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.923 5.454 -6.343 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.218 3.517 -5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.210 8.141 -2.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.981 3.226 -3.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.694 6.976 -1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.079 4.551 -1.270 1.00 0.00 H new ATOM 1755 N ASN A 114 0.006 9.819 -4.794 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.451 11.142 -4.459 1.00 0.00 C ATOM 1757 C ASN A 114 -0.216 11.346 -2.972 1.00 0.00 C ATOM 1758 O ASN A 114 -0.732 10.596 -2.144 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.933 11.310 -4.797 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.151 11.764 -6.227 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.223 12.960 -6.508 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.256 10.806 -7.141 1.00 0.00 N ATOM 0 H ASN A 114 -0.227 9.110 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 114 0.097 11.886 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.449 10.364 -4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.378 12.036 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.402 11.050 -8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.190 9.827 -6.863 1.00 0.00 H new ATOM 1769 N ASP A 115 0.574 12.348 -2.640 1.00 0.00 N ATOM 1770 CA ASP A 115 0.892 12.637 -1.253 1.00 0.00 C ATOM 1771 C ASP A 115 0.056 13.808 -0.749 1.00 0.00 C ATOM 1772 O ASP A 115 0.382 14.969 -1.000 1.00 0.00 O ATOM 1773 CB ASP A 115 2.388 12.937 -1.121 1.00 0.00 C ATOM 1774 CG ASP A 115 2.916 12.652 0.272 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.135 12.771 1.239 1.00 0.00 O ATOM 1776 OD2 ASP A 115 4.110 12.310 0.395 1.00 0.00 O ATOM 0 H ASP A 115 1.009 12.978 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 115 0.654 11.767 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.941 12.339 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.569 13.983 -1.368 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.034 13.496 -0.049 1.00 0.00 N ATOM 1782 CA ALA A 116 -1.923 14.520 0.473 1.00 0.00 C ATOM 1783 C ALA A 116 -2.727 14.006 1.661 1.00 0.00 C ATOM 1784 O ALA A 116 -2.851 12.800 1.864 1.00 0.00 O ATOM 1785 CB ALA A 116 -2.856 15.007 -0.625 1.00 0.00 C ATOM 0 H ALA A 116 -1.318 12.541 0.167 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.312 15.353 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.519 15.774 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.269 15.425 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.450 14.171 -0.995 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.009 5.842 -1.671 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.588 4.877 -2.681 1.00 0.00 C ATOM 1881 C LEU A 122 -10.607 3.745 -2.794 1.00 0.00 C ATOM 1882 O LEU A 122 -11.810 3.975 -2.675 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.205 4.322 -2.340 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.064 5.334 -2.445 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.897 6.086 -1.134 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.767 4.640 -2.829 1.00 0.00 C ATOM 0 HA LEU A 122 -9.530 5.384 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.228 3.926 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.991 3.485 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.313 6.052 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.081 6.802 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.820 6.616 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.671 5.379 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.967 5.377 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.513 3.899 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.890 4.146 -3.793 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.130 2.523 -3.027 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.037 1.398 -3.149 1.00 0.00 C ATOM 1900 C GLY A 123 -10.343 0.050 -3.076 1.00 0.00 C ATOM 1901 O GLY A 123 -10.934 -0.970 -3.429 1.00 0.00 O ATOM 0 H GLY A 123 -9.141 2.296 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.784 1.456 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.570 1.472 -4.097 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.094 0.034 -2.617 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.353 -1.217 -2.508 1.00 0.00 C ATOM 1907 C ALA A 124 -7.363 -1.180 -1.357 1.00 0.00 C ATOM 1908 O ALA A 124 -6.621 -0.212 -1.194 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.640 -1.530 -3.813 1.00 0.00 C ATOM 0 H ALA A 124 -8.580 0.863 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.072 -2.010 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.092 -2.467 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.373 -1.622 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.943 -0.726 -4.049 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.348 -2.249 -0.566 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.437 -2.337 0.565 1.00 0.00 C ATOM 1917 C TRP A 125 -5.289 -3.281 0.242 1.00 0.00 C ATOM 1918 O TRP A 125 -5.489 -4.478 0.046 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.169 -2.790 1.834 1.00 0.00 C ATOM 1920 CG TRP A 125 -7.917 -4.082 1.685 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.059 -4.291 0.968 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -7.579 -5.339 2.280 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.449 -5.603 1.076 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.557 -6.267 1.877 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -6.543 -5.771 3.113 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -8.530 -7.601 2.279 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -6.517 -7.094 3.512 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -7.505 -7.995 3.094 1.00 0.00 C ATOM 0 H TRP A 125 -7.953 -3.061 -0.688 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.032 -1.343 0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.443 -2.894 2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.869 -2.010 2.134 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.580 -3.535 0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.269 -6.016 0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -5.777 -5.083 3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.290 -8.298 1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.722 -7.439 4.157 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.456 -9.023 3.422 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.089 -2.727 0.179 1.00 0.00 N ATOM 1940 CA VAL A 126 -2.907 -3.506 -0.133 1.00 0.00 C ATOM 1941 C VAL A 126 -1.986 -3.593 1.086 1.00 0.00 C ATOM 1942 O VAL A 126 -1.772 -2.609 1.793 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.160 -2.896 -1.338 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.709 -3.301 -1.339 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.813 -3.315 -2.639 1.00 0.00 C ATOM 0 H VAL A 126 -3.910 -1.736 0.341 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.219 -4.516 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.215 -1.811 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.208 -2.857 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.233 -2.953 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.634 -4.387 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.272 -2.875 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.791 -4.401 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.847 -2.971 -2.654 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.478 -4.794 1.333 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.609 -5.068 2.476 1.00 0.00 C ATOM 1957 C CYS A 127 0.536 -5.982 2.075 1.00 0.00 C ATOM 1958 O CYS A 127 0.521 -6.559 0.998 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.401 -5.708 3.619 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.093 -5.064 3.813 1.00 0.00 S ATOM 0 H CYS A 127 -1.656 -5.609 0.746 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.200 -4.117 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.452 -6.784 3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.858 -5.555 4.552 1.00 0.00 H new ATOM 1965 N ASP A 128 1.533 -6.107 2.939 1.00 0.00 N ATOM 1966 CA ASP A 128 2.663 -6.966 2.654 1.00 0.00 C ATOM 1967 C ASP A 128 2.877 -7.949 3.799 1.00 0.00 C ATOM 1968 O ASP A 128 2.703 -7.610 4.967 1.00 0.00 O ATOM 1969 CB ASP A 128 3.924 -6.136 2.433 1.00 0.00 C ATOM 1970 CG ASP A 128 4.450 -5.527 3.719 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.990 -4.426 4.086 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.323 -6.152 4.357 1.00 0.00 O ATOM 0 H ASP A 128 1.579 -5.626 3.837 1.00 0.00 H new ATOM 0 HA ASP A 128 2.451 -7.525 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.696 -6.765 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.711 -5.341 1.718 1.00 0.00 H new ATOM 1977 N ARG A 129 3.257 -9.166 3.447 1.00 0.00 N ATOM 1978 CA ARG A 129 3.500 -10.215 4.426 1.00 0.00 C ATOM 1979 C ARG A 129 4.412 -11.276 3.835 1.00 0.00 C ATOM 1980 O ARG A 129 4.422 -11.481 2.624 1.00 0.00 O ATOM 1981 CB ARG A 129 2.179 -10.845 4.875 1.00 0.00 C ATOM 1982 CG ARG A 129 2.342 -11.916 5.942 1.00 0.00 C ATOM 1983 CD ARG A 129 2.837 -11.328 7.253 1.00 0.00 C ATOM 1984 NE ARG A 129 2.485 -12.163 8.397 1.00 0.00 N ATOM 1985 CZ ARG A 129 2.532 -11.746 9.658 1.00 0.00 C ATOM 1986 NH1 ARG A 129 2.914 -10.507 9.936 1.00 0.00 N ATOM 1987 NH2 ARG A 129 2.195 -12.568 10.643 1.00 0.00 N ATOM 0 H ARG A 129 3.405 -9.455 2.480 1.00 0.00 H new ATOM 0 HA ARG A 129 3.986 -9.774 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.525 -10.061 5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.682 -11.281 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.388 -12.417 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.044 -12.673 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.920 -11.210 7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.412 -10.333 7.387 1.00 0.00 H new ATOM 0 HE ARG A 129 2.186 -13.122 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.173 -9.872 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.949 -10.189 10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.899 -13.521 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.232 -12.247 11.610 1.00 0.00 H new ATOM 2001 N LEU A 130 5.169 -11.953 4.681 1.00 0.00 N ATOM 2002 CA LEU A 130 6.071 -12.994 4.209 1.00 0.00 C ATOM 2003 C LEU A 130 5.286 -14.174 3.643 1.00 0.00 C ATOM 2004 O LEU A 130 4.327 -14.645 4.255 1.00 0.00 O ATOM 2005 CB LEU A 130 6.993 -13.452 5.342 1.00 0.00 C ATOM 2006 CG LEU A 130 8.263 -12.609 5.535 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.475 -13.341 4.981 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.120 -11.240 4.875 1.00 0.00 C ATOM 0 H LEU A 130 5.179 -11.804 5.690 1.00 0.00 H new ATOM 0 HA LEU A 130 6.685 -12.581 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.427 -13.446 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.287 -14.485 5.154 1.00 0.00 H new ATOM 0 HG LEU A 130 8.406 -12.454 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.366 -12.730 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.597 -14.290 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.332 -13.528 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.034 -10.665 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.946 -11.368 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.278 -10.708 5.319 1.00 0.00 H new ATOM 2020 N ALA A 131 5.693 -14.633 2.463 1.00 0.00 N ATOM 2021 CA ALA A 131 5.027 -15.747 1.798 1.00 0.00 C ATOM 2022 C ALA A 131 5.041 -17.005 2.659 1.00 0.00 C ATOM 2023 O ALA A 131 6.004 -17.770 2.642 1.00 0.00 O ATOM 2024 CB ALA A 131 5.682 -16.023 0.452 1.00 0.00 C ATOM 0 H ALA A 131 6.484 -14.248 1.947 1.00 0.00 H new ATOM 0 HA ALA A 131 3.986 -15.465 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.176 -16.857 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.608 -15.136 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.732 -16.274 0.603 1.00 0.00 H new