USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 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 106 MET CE :methyl 152:sc= -1.01 (180deg=-4.46!) USER MOD Set 1.2: A 114 ASN :FLIP amide:sc= -0.283 F(o=-2.1,f=-1.3) USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= -2.13! C(o=-16!,f=-12!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.969 USER MOD Set 2.3: A 107 MET CE :methyl -167:sc= -9.25! (180deg=-9.94!) USER MOD Set 3.1: A 47 HIS : no HD1:sc=-0.000992 X(o=-0.00099,f=-0.25) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -51:sc= 0.316 USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= -0.0314 (180deg=-1.95!) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.466 F(o=-2.3,f=-0.47) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 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=-0.11) 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) USER MOD Single : A 45 SER OG : rot -133:sc= 1.08 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.0873 (180deg=-0.526) USER MOD Single : A 58 HIS : no HE2:sc= -3.65! C(o=-3.7!,f=-6.1!) USER MOD Single : A 64 SER OG : rot 123:sc= -2.08! USER MOD Single : A 70 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.00037) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.0727 K(o=0.073,f=-2.6) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.97 USER MOD Single : A 89 ASN :FLIP amide:sc= -1.47 F(o=-2.8!,f=-1.5) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.292 -18.723 -1.290 1.00 0.00 N ATOM 82 CA THR A 7 0.113 -17.984 -0.854 1.00 0.00 C ATOM 83 C THR A 7 -0.164 -16.805 -1.780 1.00 0.00 C ATOM 84 O THR A 7 -0.973 -15.932 -1.464 1.00 0.00 O ATOM 85 CB THR A 7 0.300 -17.485 0.581 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.939 -17.080 1.136 1.00 0.00 O ATOM 87 CG2 THR A 7 1.257 -16.316 0.691 1.00 0.00 C ATOM 0 HA THR A 7 -0.741 -18.660 -0.889 1.00 0.00 H new ATOM 0 HB THR A 7 0.721 -18.329 1.127 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.386 -16.461 0.521 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.343 -16.013 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.237 -16.612 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.880 -15.481 0.101 1.00 0.00 H new ATOM 95 N CYS A 8 0.517 -16.780 -2.922 1.00 0.00 N ATOM 96 CA CYS A 8 0.344 -15.699 -3.885 1.00 0.00 C ATOM 97 C CYS A 8 -0.191 -16.223 -5.217 1.00 0.00 C ATOM 98 O CYS A 8 0.569 -16.439 -6.161 1.00 0.00 O ATOM 99 CB CYS A 8 1.669 -14.964 -4.097 1.00 0.00 C ATOM 100 SG CYS A 8 2.675 -14.804 -2.585 1.00 0.00 S ATOM 0 H CYS A 8 1.191 -17.493 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.389 -15.001 -3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.249 -15.492 -4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.462 -13.969 -4.491 1.00 0.00 H new ATOM 105 N PRO A 9 -1.518 -16.433 -5.306 1.00 0.00 N ATOM 106 CA PRO A 9 -2.159 -16.932 -6.522 1.00 0.00 C ATOM 107 C PRO A 9 -2.385 -15.837 -7.562 1.00 0.00 C ATOM 108 O PRO A 9 -1.827 -15.887 -8.659 1.00 0.00 O ATOM 109 CB PRO A 9 -3.492 -17.473 -6.010 1.00 0.00 C ATOM 110 CG PRO A 9 -3.812 -16.634 -4.819 1.00 0.00 C ATOM 111 CD PRO A 9 -2.494 -16.204 -4.222 1.00 0.00 C ATOM 0 HA PRO A 9 -1.545 -17.673 -7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.269 -17.394 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.415 -18.527 -5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.408 -15.767 -5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.399 -17.199 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.516 -15.157 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.249 -16.787 -3.335 1.00 0.00 H new ATOM 119 N GLU A 10 -3.208 -14.855 -7.213 1.00 0.00 N ATOM 120 CA GLU A 10 -3.513 -13.753 -8.116 1.00 0.00 C ATOM 121 C GLU A 10 -3.270 -12.404 -7.443 1.00 0.00 C ATOM 122 O GLU A 10 -2.234 -11.772 -7.654 1.00 0.00 O ATOM 123 CB GLU A 10 -4.965 -13.848 -8.592 1.00 0.00 C ATOM 124 CG GLU A 10 -5.402 -12.676 -9.454 1.00 0.00 C ATOM 125 CD GLU A 10 -6.768 -12.888 -10.076 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.949 -13.902 -10.782 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.658 -12.038 -9.859 1.00 0.00 O ATOM 0 H GLU A 10 -3.677 -14.800 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.848 -13.828 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.093 -14.771 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.620 -13.913 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.419 -11.770 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.668 -12.517 -10.244 1.00 0.00 H new ATOM 134 N LYS A 11 -4.235 -11.970 -6.636 1.00 0.00 N ATOM 135 CA LYS A 11 -4.133 -10.694 -5.930 1.00 0.00 C ATOM 136 C LYS A 11 -2.810 -10.590 -5.180 1.00 0.00 C ATOM 137 O LYS A 11 -2.167 -9.542 -5.176 1.00 0.00 O ATOM 138 CB LYS A 11 -5.301 -10.535 -4.954 1.00 0.00 C ATOM 139 CG LYS A 11 -6.664 -10.668 -5.611 1.00 0.00 C ATOM 140 CD LYS A 11 -7.781 -10.253 -4.668 1.00 0.00 C ATOM 141 CE LYS A 11 -8.460 -8.976 -5.135 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.377 -8.423 -4.102 1.00 0.00 N ATOM 0 H LYS A 11 -5.098 -12.483 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.173 -9.894 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.211 -11.284 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.232 -9.559 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.697 -10.052 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.818 -11.700 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.517 -11.054 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.377 -10.106 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.703 -8.232 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.021 -9.176 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.358 -8.475 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.287 -8.976 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.129 -7.431 -3.913 1.00 0.00 H new ATOM 156 N TRP A 12 -2.410 -11.688 -4.555 1.00 0.00 N ATOM 157 CA TRP A 12 -1.163 -11.736 -3.806 1.00 0.00 C ATOM 158 C TRP A 12 0.029 -11.773 -4.756 1.00 0.00 C ATOM 159 O TRP A 12 -0.007 -12.447 -5.786 1.00 0.00 O ATOM 160 CB TRP A 12 -1.141 -12.958 -2.888 1.00 0.00 C ATOM 161 CG TRP A 12 -2.151 -12.902 -1.781 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.491 -12.667 -1.902 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.901 -13.091 -0.383 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.088 -12.697 -0.664 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.133 -12.956 0.283 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.754 -13.362 0.369 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.249 -13.082 1.666 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.871 -13.486 1.740 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.111 -13.347 2.376 1.00 0.00 C ATOM 0 H TRP A 12 -2.935 -12.563 -4.552 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.094 -10.836 -3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.319 -13.852 -3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.146 -13.057 -2.455 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.006 -12.484 -2.834 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.081 -12.550 -0.481 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.206 -13.472 -0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.204 -12.974 2.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.009 -13.694 2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.170 -13.451 3.449 1.00 0.00 H new ATOM 180 N ILE A 13 1.082 -11.042 -4.407 1.00 0.00 N ATOM 181 CA ILE A 13 2.283 -10.987 -5.231 1.00 0.00 C ATOM 182 C ILE A 13 3.537 -11.202 -4.390 1.00 0.00 C ATOM 183 O ILE A 13 3.757 -10.504 -3.404 1.00 0.00 O ATOM 184 CB ILE A 13 2.401 -9.635 -5.962 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.077 -8.858 -5.895 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.832 -9.852 -7.402 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.109 -9.172 -7.023 1.00 0.00 C ATOM 0 H ILE A 13 1.128 -10.479 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 13 2.197 -11.787 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 13 3.162 -9.037 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.590 -9.074 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.295 -7.790 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.912 -8.889 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.800 -10.353 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.094 -10.470 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.798 -8.581 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.573 -8.928 -7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.143 -10.232 -7.002 1.00 0.00 H new ATOM 199 N ASN A 14 4.359 -12.169 -4.790 1.00 0.00 N ATOM 200 CA ASN A 14 5.592 -12.475 -4.070 1.00 0.00 C ATOM 201 C ASN A 14 6.816 -11.992 -4.839 1.00 0.00 C ATOM 202 O ASN A 14 6.796 -11.899 -6.066 1.00 0.00 O ATOM 203 CB ASN A 14 5.700 -13.975 -3.803 1.00 0.00 C ATOM 204 CG ASN A 14 7.048 -14.369 -3.230 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.265 -14.059 -1.958 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.885 -14.946 -3.925 1.00 0.00 N flip ATOM 0 H ASN A 14 4.193 -12.754 -5.609 1.00 0.00 H new ATOM 0 HA ASN A 14 5.558 -11.947 -3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.913 -14.275 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.531 -14.519 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.676 -15.165 -4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.788 -15.205 -3.527 1.00 0.00 H new ATOM 213 N PHE A 15 7.878 -11.680 -4.103 1.00 0.00 N ATOM 214 CA PHE A 15 9.115 -11.198 -4.706 1.00 0.00 C ATOM 215 C PHE A 15 10.318 -11.988 -4.190 1.00 0.00 C ATOM 216 O PHE A 15 10.320 -13.219 -4.226 1.00 0.00 O ATOM 217 CB PHE A 15 9.294 -9.705 -4.417 1.00 0.00 C ATOM 218 CG PHE A 15 8.020 -8.918 -4.517 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.204 -8.758 -3.410 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.639 -8.338 -5.716 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.031 -8.036 -3.495 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.466 -7.613 -5.809 1.00 0.00 C ATOM 223 CZ PHE A 15 5.660 -7.463 -4.695 1.00 0.00 C ATOM 0 H PHE A 15 7.906 -11.753 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 15 9.051 -11.345 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.709 -9.584 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.022 -9.293 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.489 -9.204 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.266 -8.454 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.404 -7.919 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.180 -7.165 -6.749 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.742 -6.898 -4.764 1.00 0.00 H new ATOM 233 N GLN A 16 11.340 -11.275 -3.710 1.00 0.00 N ATOM 234 CA GLN A 16 12.543 -11.915 -3.190 1.00 0.00 C ATOM 235 C GLN A 16 12.192 -12.994 -2.173 1.00 0.00 C ATOM 236 O GLN A 16 12.741 -14.097 -2.212 1.00 0.00 O ATOM 237 CB GLN A 16 13.463 -10.873 -2.549 1.00 0.00 C ATOM 238 CG GLN A 16 12.735 -9.892 -1.644 1.00 0.00 C ATOM 239 CD GLN A 16 13.608 -8.725 -1.228 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.182 -8.720 -0.139 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.713 -7.726 -2.097 1.00 0.00 N ATOM 0 H GLN A 16 11.355 -10.256 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 16 13.063 -12.386 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.232 -11.386 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.973 -10.318 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.852 -9.515 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.386 -10.415 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.220 -7.772 -2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.287 -6.913 -1.873 1.00 0.00 H new ATOM 250 N ARG A 17 11.274 -12.675 -1.265 1.00 0.00 N ATOM 251 CA ARG A 17 10.855 -13.628 -0.244 1.00 0.00 C ATOM 252 C ARG A 17 9.573 -13.173 0.448 1.00 0.00 C ATOM 253 O ARG A 17 9.050 -13.869 1.318 1.00 0.00 O ATOM 254 CB ARG A 17 11.966 -13.827 0.788 1.00 0.00 C ATOM 255 CG ARG A 17 12.501 -12.527 1.366 1.00 0.00 C ATOM 256 CD ARG A 17 12.978 -12.708 2.798 1.00 0.00 C ATOM 257 NE ARG A 17 13.909 -11.657 3.202 1.00 0.00 N ATOM 258 CZ ARG A 17 15.014 -11.882 3.905 1.00 0.00 C ATOM 259 NH1 ARG A 17 15.328 -13.115 4.279 1.00 0.00 N ATOM 260 NH2 ARG A 17 15.809 -10.872 4.234 1.00 0.00 N ATOM 0 H ARG A 17 10.809 -11.769 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 17 10.654 -14.578 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.588 -14.448 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.787 -14.374 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.325 -12.166 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.722 -11.766 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.119 -12.709 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.462 -13.679 2.899 1.00 0.00 H new ATOM 0 HE ARG A 17 13.699 -10.697 2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.720 -13.895 4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.177 -13.284 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.572 -9.922 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.657 -11.045 4.774 1.00 0.00 H new ATOM 274 N LYS A 18 9.066 -12.011 0.053 1.00 0.00 N ATOM 275 CA LYS A 18 7.846 -11.480 0.632 1.00 0.00 C ATOM 276 C LYS A 18 6.735 -11.442 -0.395 1.00 0.00 C ATOM 277 O LYS A 18 6.973 -11.419 -1.598 1.00 0.00 O ATOM 278 CB LYS A 18 8.056 -10.076 1.184 1.00 0.00 C ATOM 279 CG LYS A 18 8.312 -9.039 0.111 1.00 0.00 C ATOM 280 CD LYS A 18 9.661 -8.371 0.300 1.00 0.00 C ATOM 281 CE LYS A 18 9.510 -6.954 0.830 1.00 0.00 C ATOM 282 NZ LYS A 18 10.723 -6.504 1.567 1.00 0.00 N ATOM 0 H LYS A 18 9.484 -11.421 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 18 7.566 -12.144 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.177 -9.784 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.899 -10.088 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.272 -9.511 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.524 -8.286 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.265 -8.957 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.195 -8.351 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.317 -6.275 -0.000 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.645 -6.904 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.579 -5.533 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.893 -7.137 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.545 -6.527 0.930 1.00 0.00 H new ATOM 296 N CYS A 19 5.524 -11.418 0.106 1.00 0.00 N ATOM 297 CA CYS A 19 4.341 -11.365 -0.732 1.00 0.00 C ATOM 298 C CYS A 19 3.490 -10.168 -0.345 1.00 0.00 C ATOM 299 O CYS A 19 3.711 -9.550 0.695 1.00 0.00 O ATOM 300 CB CYS A 19 3.533 -12.661 -0.615 1.00 0.00 C ATOM 301 SG CYS A 19 2.316 -12.909 -1.949 1.00 0.00 S ATOM 0 H CYS A 19 5.326 -11.435 1.106 1.00 0.00 H new ATOM 0 HA CYS A 19 4.652 -11.257 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.222 -13.505 -0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.011 -12.665 0.342 1.00 0.00 H new ATOM 306 N TYR A 20 2.527 -9.836 -1.187 1.00 0.00 N ATOM 307 CA TYR A 20 1.653 -8.699 -0.933 1.00 0.00 C ATOM 308 C TYR A 20 0.195 -9.134 -0.930 1.00 0.00 C ATOM 309 O TYR A 20 -0.230 -9.930 -1.762 1.00 0.00 O ATOM 310 CB TYR A 20 1.848 -7.618 -2.006 1.00 0.00 C ATOM 311 CG TYR A 20 3.033 -6.696 -1.793 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.058 -7.016 -0.910 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.117 -5.495 -2.486 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.132 -6.164 -0.726 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.185 -4.638 -2.308 1.00 0.00 C ATOM 316 CZ TYR A 20 5.191 -4.977 -1.427 1.00 0.00 C ATOM 317 OH TYR A 20 6.257 -4.127 -1.246 1.00 0.00 O ATOM 0 H TYR A 20 2.329 -10.336 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 20 1.912 -8.292 0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.959 -8.107 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.943 -7.013 -2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.015 -7.944 -0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.332 -5.226 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.921 -6.427 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.232 -3.708 -2.855 1.00 0.00 H new ATOM 0 HH TYR A 20 6.146 -3.337 -1.815 1.00 0.00 H new ATOM 327 N TYR A 21 -0.563 -8.587 0.006 1.00 0.00 N ATOM 328 CA TYR A 21 -1.978 -8.885 0.130 1.00 0.00 C ATOM 329 C TYR A 21 -2.770 -7.778 -0.551 1.00 0.00 C ATOM 330 O TYR A 21 -2.805 -6.644 -0.079 1.00 0.00 O ATOM 331 CB TYR A 21 -2.351 -8.969 1.613 1.00 0.00 C ATOM 332 CG TYR A 21 -3.684 -9.627 1.905 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.619 -9.859 0.902 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.003 -10.011 3.200 1.00 0.00 C ATOM 335 CE1 TYR A 21 -5.833 -10.456 1.185 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.212 -10.607 3.490 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.125 -10.828 2.481 1.00 0.00 C ATOM 338 OH TYR A 21 -7.332 -11.422 2.767 1.00 0.00 O ATOM 0 H TYR A 21 -0.214 -7.925 0.699 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.207 -9.840 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.570 -9.519 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.363 -7.960 2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.393 -9.568 -0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.292 -9.840 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.549 -10.630 0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.443 -10.900 4.504 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.379 -11.622 3.725 1.00 0.00 H new ATOM 348 N PHE A 22 -3.379 -8.111 -1.677 1.00 0.00 N ATOM 349 CA PHE A 22 -4.139 -7.143 -2.443 1.00 0.00 C ATOM 350 C PHE A 22 -5.641 -7.375 -2.285 1.00 0.00 C ATOM 351 O PHE A 22 -6.166 -8.407 -2.704 1.00 0.00 O ATOM 352 CB PHE A 22 -3.728 -7.247 -3.916 1.00 0.00 C ATOM 353 CG PHE A 22 -2.378 -6.645 -4.230 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.557 -6.165 -3.220 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.928 -6.566 -5.541 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.322 -5.619 -3.508 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.689 -6.020 -5.835 1.00 0.00 C ATOM 358 CZ PHE A 22 0.115 -5.545 -4.815 1.00 0.00 C ATOM 0 H PHE A 22 -3.360 -9.048 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.924 -6.141 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.720 -8.298 -4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.484 -6.754 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.889 -6.219 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.552 -6.935 -6.342 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.303 -5.249 -2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.352 -5.965 -6.859 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.081 -5.118 -5.040 1.00 0.00 H new ATOM 368 N GLY A 23 -6.325 -6.411 -1.673 1.00 0.00 N ATOM 369 CA GLY A 23 -7.756 -6.533 -1.463 1.00 0.00 C ATOM 370 C GLY A 23 -8.532 -5.325 -1.949 1.00 0.00 C ATOM 371 O GLY A 23 -7.951 -4.360 -2.446 1.00 0.00 O ATOM 0 H GLY A 23 -5.913 -5.548 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.119 -7.422 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.950 -6.679 -0.400 1.00 0.00 H new ATOM 375 N LYS A 24 -9.854 -5.384 -1.803 1.00 0.00 N ATOM 376 CA LYS A 24 -10.723 -4.293 -2.226 1.00 0.00 C ATOM 377 C LYS A 24 -11.705 -3.920 -1.120 1.00 0.00 C ATOM 378 O LYS A 24 -12.023 -4.736 -0.255 1.00 0.00 O ATOM 379 CB LYS A 24 -11.488 -4.683 -3.492 1.00 0.00 C ATOM 380 CG LYS A 24 -12.429 -5.861 -3.295 1.00 0.00 C ATOM 381 CD LYS A 24 -12.796 -6.507 -4.621 1.00 0.00 C ATOM 382 CE LYS A 24 -14.176 -6.074 -5.088 1.00 0.00 C ATOM 383 NZ LYS A 24 -14.438 -6.481 -6.497 1.00 0.00 N ATOM 0 H LYS A 24 -10.346 -6.178 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.098 -3.426 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.062 -3.824 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.773 -4.927 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.958 -6.600 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.334 -5.525 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.055 -6.240 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.769 -7.592 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.933 -6.511 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.266 -4.991 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.389 -6.167 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.731 -6.044 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.377 -7.516 -6.576 1.00 0.00 H new ATOM 440 N GLN A 28 -10.578 4.144 4.661 1.00 0.00 N ATOM 441 CA GLN A 28 -9.488 5.098 4.476 1.00 0.00 C ATOM 442 C GLN A 28 -8.132 4.435 4.706 1.00 0.00 C ATOM 443 O GLN A 28 -8.040 3.215 4.835 1.00 0.00 O ATOM 444 CB GLN A 28 -9.656 6.284 5.428 1.00 0.00 C ATOM 445 CG GLN A 28 -10.926 7.083 5.186 1.00 0.00 C ATOM 446 CD GLN A 28 -11.083 8.235 6.159 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.146 8.998 6.394 1.00 0.00 O ATOM 448 NE2 GLN A 28 -12.274 8.367 6.731 1.00 0.00 N ATOM 0 HA GLN A 28 -9.524 5.455 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.657 5.918 6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.796 6.945 5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.919 7.471 4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.789 6.422 5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.023 7.712 6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.440 9.124 7.394 1.00 0.00 H new ATOM 457 N TRP A 29 -7.083 5.252 4.752 1.00 0.00 N ATOM 458 CA TRP A 29 -5.728 4.752 4.965 1.00 0.00 C ATOM 459 C TRP A 29 -5.606 4.071 6.321 1.00 0.00 C ATOM 460 O TRP A 29 -5.099 2.953 6.422 1.00 0.00 O ATOM 461 CB TRP A 29 -4.717 5.894 4.861 1.00 0.00 C ATOM 462 CG TRP A 29 -3.315 5.483 5.196 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.390 4.954 4.342 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.679 5.564 6.477 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.218 4.702 5.014 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.372 5.069 6.326 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.090 6.010 7.737 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.471 5.005 7.386 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.196 5.946 8.789 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.899 5.448 8.608 1.00 0.00 C ATOM 0 H TRP A 29 -7.146 6.264 4.644 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.514 4.016 4.190 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.737 6.296 3.848 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.021 6.700 5.529 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.555 4.762 3.292 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.372 4.307 4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.087 6.397 7.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.529 4.620 7.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.502 6.286 9.767 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.223 5.413 9.450 1.00 0.00 H new ATOM 481 N VAL A 30 -6.075 4.751 7.357 1.00 0.00 N ATOM 482 CA VAL A 30 -6.025 4.213 8.710 1.00 0.00 C ATOM 483 C VAL A 30 -6.700 2.851 8.774 1.00 0.00 C ATOM 484 O VAL A 30 -6.316 1.991 9.566 1.00 0.00 O ATOM 485 CB VAL A 30 -6.697 5.160 9.722 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.816 6.371 9.987 1.00 0.00 C ATOM 487 CG2 VAL A 30 -8.068 5.589 9.223 1.00 0.00 C ATOM 0 H VAL A 30 -6.495 5.678 7.287 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.972 4.111 8.974 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.829 4.623 10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.307 7.028 10.704 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.859 6.043 10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.650 6.911 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.527 6.258 9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.962 6.108 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.698 4.710 9.090 1.00 0.00 H new ATOM 497 N HIS A 31 -7.706 2.661 7.931 1.00 0.00 N ATOM 498 CA HIS A 31 -8.429 1.401 7.887 1.00 0.00 C ATOM 499 C HIS A 31 -7.573 0.314 7.252 1.00 0.00 C ATOM 500 O HIS A 31 -7.670 -0.857 7.620 1.00 0.00 O ATOM 501 CB HIS A 31 -9.739 1.560 7.114 1.00 0.00 C ATOM 502 CG HIS A 31 -10.953 1.209 7.917 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.523 -0.047 7.909 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.707 1.957 8.758 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.575 -0.055 8.710 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.707 1.148 9.236 1.00 0.00 N ATOM 0 H HIS A 31 -8.038 3.363 7.270 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.662 1.106 8.910 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.826 2.591 6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.706 0.930 6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.550 2.996 9.006 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.217 -0.902 8.901 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.435 1.431 9.892 1.00 0.00 H new ATOM 515 N ALA A 32 -6.730 0.705 6.299 1.00 0.00 N ATOM 516 CA ALA A 32 -5.860 -0.248 5.627 1.00 0.00 C ATOM 517 C ALA A 32 -4.766 -0.732 6.565 1.00 0.00 C ATOM 518 O ALA A 32 -4.539 -1.931 6.700 1.00 0.00 O ATOM 519 CB ALA A 32 -5.250 0.377 4.381 1.00 0.00 C ATOM 0 H ALA A 32 -6.633 1.669 5.979 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.461 -1.107 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.602 -0.349 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.045 0.675 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.666 1.253 4.662 1.00 0.00 H new ATOM 525 N ARG A 33 -4.099 0.209 7.224 1.00 0.00 N ATOM 526 CA ARG A 33 -3.035 -0.129 8.158 1.00 0.00 C ATOM 527 C ARG A 33 -3.561 -1.009 9.285 1.00 0.00 C ATOM 528 O ARG A 33 -2.884 -1.936 9.727 1.00 0.00 O ATOM 529 CB ARG A 33 -2.400 1.138 8.736 1.00 0.00 C ATOM 530 CG ARG A 33 -3.402 2.114 9.324 1.00 0.00 C ATOM 531 CD ARG A 33 -3.405 2.060 10.845 1.00 0.00 C ATOM 532 NE ARG A 33 -2.349 2.886 11.422 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.700 2.579 12.542 1.00 0.00 C ATOM 534 NH1 ARG A 33 -1.999 1.466 13.200 1.00 0.00 N ATOM 535 NH2 ARG A 33 -0.752 3.382 13.003 1.00 0.00 N ATOM 0 H ARG A 33 -4.277 1.209 7.128 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.274 -0.684 7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.686 0.855 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.836 1.641 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.163 3.125 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.399 1.884 8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.373 2.395 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.278 1.028 11.172 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.094 3.748 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.727 0.845 12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.501 1.232 14.059 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.519 4.237 12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.256 3.145 13.862 1.00 0.00 H new ATOM 549 N TYR A 34 -4.771 -0.712 9.745 1.00 0.00 N ATOM 550 CA TYR A 34 -5.386 -1.478 10.821 1.00 0.00 C ATOM 551 C TYR A 34 -5.825 -2.855 10.335 1.00 0.00 C ATOM 552 O TYR A 34 -5.820 -3.824 11.095 1.00 0.00 O ATOM 553 CB TYR A 34 -6.585 -0.721 11.394 1.00 0.00 C ATOM 554 CG TYR A 34 -6.798 -0.955 12.874 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.183 -0.146 13.820 1.00 0.00 C ATOM 556 CD2 TYR A 34 -7.616 -1.985 13.322 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.374 -0.356 15.172 1.00 0.00 C ATOM 558 CE2 TYR A 34 -7.813 -2.201 14.673 1.00 0.00 C ATOM 559 CZ TYR A 34 -7.191 -1.385 15.594 1.00 0.00 C ATOM 560 OH TYR A 34 -7.385 -1.597 16.939 1.00 0.00 O ATOM 0 H TYR A 34 -5.345 0.053 9.390 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.640 -1.613 11.604 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.448 0.346 11.219 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.484 -1.019 10.854 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.544 0.661 13.493 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.105 -2.626 12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.887 0.282 15.895 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.452 -3.006 15.006 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.988 -2.359 17.066 1.00 0.00 H new ATOM 570 N ALA A 35 -6.209 -2.934 9.065 1.00 0.00 N ATOM 571 CA ALA A 35 -6.659 -4.191 8.481 1.00 0.00 C ATOM 572 C ALA A 35 -5.512 -5.181 8.340 1.00 0.00 C ATOM 573 O ALA A 35 -5.673 -6.373 8.604 1.00 0.00 O ATOM 574 CB ALA A 35 -7.317 -3.944 7.132 1.00 0.00 C ATOM 0 H ALA A 35 -6.217 -2.143 8.422 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.394 -4.628 9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.647 -4.893 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.176 -3.286 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.600 -3.476 6.457 1.00 0.00 H new ATOM 580 N CYS A 36 -4.354 -4.685 7.925 1.00 0.00 N ATOM 581 CA CYS A 36 -3.184 -5.533 7.755 1.00 0.00 C ATOM 582 C CYS A 36 -2.510 -5.786 9.098 1.00 0.00 C ATOM 583 O CYS A 36 -1.808 -6.782 9.276 1.00 0.00 O ATOM 584 CB CYS A 36 -2.192 -4.892 6.782 1.00 0.00 C ATOM 585 SG CYS A 36 -2.966 -3.849 5.504 1.00 0.00 S ATOM 0 H CYS A 36 -4.201 -3.702 7.701 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.511 -6.487 7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.484 -4.287 7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.619 -5.680 6.294 1.00 0.00 H new ATOM 590 N ASP A 37 -2.733 -4.876 10.040 1.00 0.00 N ATOM 591 CA ASP A 37 -2.151 -4.994 11.371 1.00 0.00 C ATOM 592 C ASP A 37 -2.874 -6.055 12.195 1.00 0.00 C ATOM 593 O ASP A 37 -2.314 -6.605 13.145 1.00 0.00 O ATOM 594 CB ASP A 37 -2.205 -3.648 12.097 1.00 0.00 C ATOM 595 CG ASP A 37 -1.242 -3.583 13.266 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.016 -3.542 13.024 1.00 0.00 O ATOM 597 OD2 ASP A 37 -1.711 -3.574 14.424 1.00 0.00 O ATOM 0 H ASP A 37 -3.313 -4.048 9.906 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.111 -5.298 11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.972 -2.849 11.393 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.219 -3.472 12.455 1.00 0.00 H new ATOM 602 N ASP A 38 -4.124 -6.329 11.835 1.00 0.00 N ATOM 603 CA ASP A 38 -4.929 -7.314 12.548 1.00 0.00 C ATOM 604 C ASP A 38 -4.264 -8.686 12.545 1.00 0.00 C ATOM 605 O ASP A 38 -4.286 -9.393 13.552 1.00 0.00 O ATOM 606 CB ASP A 38 -6.322 -7.411 11.924 1.00 0.00 C ATOM 607 CG ASP A 38 -7.419 -7.017 12.894 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.473 -7.599 13.997 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.224 -6.126 12.549 1.00 0.00 O ATOM 0 H ASP A 38 -4.602 -5.882 11.053 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.018 -6.983 13.583 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.369 -6.767 11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.493 -8.431 11.581 1.00 0.00 H new ATOM 614 N MET A 39 -3.671 -9.052 11.411 1.00 0.00 N ATOM 615 CA MET A 39 -2.997 -10.342 11.273 1.00 0.00 C ATOM 616 C MET A 39 -2.419 -10.525 9.871 1.00 0.00 C ATOM 617 O MET A 39 -1.457 -11.268 9.685 1.00 0.00 O ATOM 618 CB MET A 39 -3.967 -11.486 11.575 1.00 0.00 C ATOM 619 CG MET A 39 -3.705 -12.161 12.909 1.00 0.00 C ATOM 620 SD MET A 39 -3.179 -13.877 12.732 1.00 0.00 S ATOM 621 CE MET A 39 -4.711 -14.648 12.218 1.00 0.00 C ATOM 0 H MET A 39 -3.643 -8.472 10.572 1.00 0.00 H new ATOM 0 HA MET A 39 -2.176 -10.359 11.990 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.986 -11.100 11.565 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.900 -12.229 10.781 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.938 -11.605 13.448 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.611 -12.124 13.514 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.549 -15.715 12.067 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.468 -14.501 12.988 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.050 -14.197 11.285 1.00 0.00 H new ATOM 631 N GLU A 40 -3.023 -9.856 8.891 1.00 0.00 N ATOM 632 CA GLU A 40 -2.579 -9.955 7.502 1.00 0.00 C ATOM 633 C GLU A 40 -1.060 -9.837 7.389 1.00 0.00 C ATOM 634 O GLU A 40 -0.356 -10.846 7.358 1.00 0.00 O ATOM 635 CB GLU A 40 -3.263 -8.882 6.647 1.00 0.00 C ATOM 636 CG GLU A 40 -4.783 -8.867 6.771 1.00 0.00 C ATOM 637 CD GLU A 40 -5.360 -10.207 7.193 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.129 -11.205 6.479 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.045 -10.255 8.235 1.00 0.00 O ATOM 0 H GLU A 40 -3.822 -9.239 9.033 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.864 -10.939 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.876 -7.904 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.995 -9.039 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.075 -8.108 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.217 -8.577 5.814 1.00 0.00 H new ATOM 646 N GLY A 41 -0.556 -8.607 7.322 1.00 0.00 N ATOM 647 CA GLY A 41 0.880 -8.409 7.210 1.00 0.00 C ATOM 648 C GLY A 41 1.347 -7.062 7.734 1.00 0.00 C ATOM 649 O GLY A 41 1.537 -6.885 8.938 1.00 0.00 O ATOM 0 H GLY A 41 -1.110 -7.751 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.392 -9.201 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.172 -8.504 6.164 1.00 0.00 H new ATOM 653 N GLN A 42 1.559 -6.129 6.818 1.00 0.00 N ATOM 654 CA GLN A 42 2.039 -4.797 7.150 1.00 0.00 C ATOM 655 C GLN A 42 1.593 -3.844 6.068 1.00 0.00 C ATOM 656 O GLN A 42 1.244 -4.281 4.978 1.00 0.00 O ATOM 657 CB GLN A 42 3.566 -4.789 7.236 1.00 0.00 C ATOM 658 CG GLN A 42 4.166 -3.394 7.302 1.00 0.00 C ATOM 659 CD GLN A 42 5.681 -3.404 7.250 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.338 -4.049 8.067 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.243 -2.687 6.283 1.00 0.00 N ATOM 0 H GLN A 42 1.402 -6.275 5.821 1.00 0.00 H new ATOM 0 HA GLN A 42 1.634 -4.494 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.875 -5.350 8.118 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.973 -5.309 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.782 -2.799 6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.842 -2.907 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.659 -2.168 5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.259 -2.656 6.196 1.00 0.00 H new ATOM 670 N LEU A 43 1.603 -2.550 6.323 1.00 0.00 N ATOM 671 CA LEU A 43 1.199 -1.657 5.277 1.00 0.00 C ATOM 672 C LEU A 43 2.336 -1.619 4.269 1.00 0.00 C ATOM 673 O LEU A 43 3.445 -1.170 4.560 1.00 0.00 O ATOM 674 CB LEU A 43 0.911 -0.262 5.842 1.00 0.00 C ATOM 675 CG LEU A 43 -0.264 0.489 5.208 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.522 -0.361 5.218 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.504 1.800 5.938 1.00 0.00 C ATOM 0 H LEU A 43 1.874 -2.117 7.206 1.00 0.00 H new ATOM 0 HA LEU A 43 0.279 -1.998 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.722 -0.357 6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.808 0.346 5.730 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.011 0.705 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.341 0.196 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.347 -1.277 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.783 -0.613 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.342 2.325 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.733 1.597 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.390 2.420 5.876 1.00 0.00 H new ATOM 689 N VAL A 44 2.027 -2.158 3.100 1.00 0.00 N ATOM 690 CA VAL A 44 2.959 -2.294 1.985 1.00 0.00 C ATOM 691 C VAL A 44 4.118 -1.313 2.022 1.00 0.00 C ATOM 692 O VAL A 44 5.267 -1.705 2.226 1.00 0.00 O ATOM 693 CB VAL A 44 2.216 -2.155 0.651 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.968 -3.524 0.049 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.906 -1.410 0.852 1.00 0.00 C ATOM 0 H VAL A 44 1.098 -2.523 2.892 1.00 0.00 H new ATOM 0 HA VAL A 44 3.391 -3.290 2.083 1.00 0.00 H new ATOM 0 HB VAL A 44 2.833 -1.580 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.440 -3.415 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.921 -4.024 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.364 -4.119 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.389 -1.319 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.278 -1.960 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.110 -0.416 1.251 1.00 0.00 H new ATOM 705 N SER A 45 3.816 -0.050 1.794 1.00 0.00 N ATOM 706 CA SER A 45 4.841 0.988 1.768 1.00 0.00 C ATOM 707 C SER A 45 5.787 0.740 0.600 1.00 0.00 C ATOM 708 O SER A 45 7.009 0.759 0.750 1.00 0.00 O ATOM 709 CB SER A 45 5.620 1.013 3.083 1.00 0.00 C ATOM 710 OG SER A 45 6.028 2.329 3.407 1.00 0.00 O ATOM 0 H SER A 45 2.869 0.288 1.623 1.00 0.00 H new ATOM 0 HA SER A 45 4.358 1.957 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.999 0.613 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.494 0.367 3.004 1.00 0.00 H new ATOM 0 HG SER A 45 6.974 2.325 3.663 1.00 0.00 H new ATOM 716 N ILE A 46 5.190 0.488 -0.560 1.00 0.00 N ATOM 717 CA ILE A 46 5.929 0.207 -1.791 1.00 0.00 C ATOM 718 C ILE A 46 7.149 1.108 -1.945 1.00 0.00 C ATOM 719 O ILE A 46 7.117 2.286 -1.585 1.00 0.00 O ATOM 720 CB ILE A 46 5.030 0.365 -3.037 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.667 0.946 -2.653 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.853 -0.973 -3.737 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.749 1.162 -3.832 1.00 0.00 C ATOM 0 H ILE A 46 4.177 0.472 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 46 6.264 -0.827 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 46 5.518 1.057 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.182 0.275 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.818 1.897 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.217 -0.844 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.826 -1.352 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.389 -1.683 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.802 1.575 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.213 1.857 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.568 0.210 -4.331 1.00 0.00 H new ATOM 735 N HIS A 47 8.225 0.541 -2.484 1.00 0.00 N ATOM 736 CA HIS A 47 9.464 1.282 -2.693 1.00 0.00 C ATOM 737 C HIS A 47 10.052 0.990 -4.070 1.00 0.00 C ATOM 738 O HIS A 47 11.093 1.536 -4.438 1.00 0.00 O ATOM 739 CB HIS A 47 10.481 0.928 -1.607 1.00 0.00 C ATOM 740 CG HIS A 47 10.566 -0.539 -1.319 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.080 -1.454 -2.213 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.200 -1.250 -0.225 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.026 -2.663 -1.683 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.496 -2.566 -0.477 1.00 0.00 N ATOM 0 H HIS A 47 8.263 -0.433 -2.785 1.00 0.00 H new ATOM 0 HA HIS A 47 9.234 2.346 -2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.464 1.287 -1.911 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.218 1.455 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.758 -0.854 0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.359 -3.575 -2.155 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.333 -3.343 0.163 1.00 0.00 H new ATOM 753 N SER A 48 9.381 0.131 -4.831 1.00 0.00 N ATOM 754 CA SER A 48 9.836 -0.226 -6.166 1.00 0.00 C ATOM 755 C SER A 48 8.800 0.181 -7.202 1.00 0.00 C ATOM 756 O SER A 48 7.647 -0.239 -7.127 1.00 0.00 O ATOM 757 CB SER A 48 10.105 -1.729 -6.255 1.00 0.00 C ATOM 758 OG SER A 48 11.470 -2.018 -6.002 1.00 0.00 O ATOM 0 H SER A 48 8.518 -0.331 -4.543 1.00 0.00 H new ATOM 0 HA SER A 48 10.765 0.307 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.479 -2.257 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.830 -2.093 -7.245 1.00 0.00 H new ATOM 0 HG SER A 48 11.616 -2.985 -6.063 1.00 0.00 H new ATOM 764 N PRO A 49 9.193 1.004 -8.189 1.00 0.00 N ATOM 765 CA PRO A 49 8.282 1.455 -9.239 1.00 0.00 C ATOM 766 C PRO A 49 7.463 0.303 -9.803 1.00 0.00 C ATOM 767 O PRO A 49 6.325 0.489 -10.237 1.00 0.00 O ATOM 768 CB PRO A 49 9.225 2.024 -10.297 1.00 0.00 C ATOM 769 CG PRO A 49 10.406 2.501 -9.524 1.00 0.00 C ATOM 770 CD PRO A 49 10.552 1.555 -8.361 1.00 0.00 C ATOM 0 HA PRO A 49 7.549 2.178 -8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.508 1.265 -11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.757 2.838 -10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.303 2.500 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.258 3.524 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.279 0.771 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.891 2.072 -7.464 1.00 0.00 H new ATOM 778 N GLU A 50 8.048 -0.890 -9.778 1.00 0.00 N ATOM 779 CA GLU A 50 7.374 -2.082 -10.270 1.00 0.00 C ATOM 780 C GLU A 50 6.287 -2.527 -9.305 1.00 0.00 C ATOM 781 O GLU A 50 5.175 -2.850 -9.716 1.00 0.00 O ATOM 782 CB GLU A 50 8.374 -3.219 -10.470 1.00 0.00 C ATOM 783 CG GLU A 50 7.722 -4.533 -10.851 1.00 0.00 C ATOM 784 CD GLU A 50 8.641 -5.722 -10.649 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.879 -6.096 -9.482 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.124 -6.278 -11.657 1.00 0.00 O ATOM 0 H GLU A 50 8.989 -1.055 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 50 6.916 -1.834 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.085 -2.936 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.944 -3.358 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.819 -4.672 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.413 -4.491 -11.895 1.00 0.00 H new ATOM 793 N GLU A 51 6.625 -2.552 -8.022 1.00 0.00 N ATOM 794 CA GLU A 51 5.682 -2.969 -6.997 1.00 0.00 C ATOM 795 C GLU A 51 4.513 -1.996 -6.913 1.00 0.00 C ATOM 796 O GLU A 51 3.358 -2.408 -6.813 1.00 0.00 O ATOM 797 CB GLU A 51 6.384 -3.081 -5.644 1.00 0.00 C ATOM 798 CG GLU A 51 7.443 -4.170 -5.595 1.00 0.00 C ATOM 799 CD GLU A 51 8.067 -4.315 -4.222 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.715 -3.353 -3.759 1.00 0.00 O ATOM 801 OE2 GLU A 51 7.908 -5.392 -3.608 1.00 0.00 O ATOM 0 H GLU A 51 7.545 -2.288 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 51 5.290 -3.949 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.848 -2.124 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.639 -3.276 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.996 -5.120 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.223 -3.946 -6.323 1.00 0.00 H new ATOM 808 N GLN A 52 4.818 -0.704 -6.970 1.00 0.00 N ATOM 809 CA GLN A 52 3.785 0.324 -6.914 1.00 0.00 C ATOM 810 C GLN A 52 2.891 0.229 -8.142 1.00 0.00 C ATOM 811 O GLN A 52 1.673 0.343 -8.045 1.00 0.00 O ATOM 812 CB GLN A 52 4.414 1.722 -6.801 1.00 0.00 C ATOM 813 CG GLN A 52 4.855 2.317 -8.133 1.00 0.00 C ATOM 814 CD GLN A 52 3.821 3.240 -8.766 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.599 3.243 -8.240 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 4.123 3.948 -9.727 1.00 0.00 N flip ATOM 0 H GLN A 52 5.769 -0.345 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 52 3.175 0.160 -6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.695 2.395 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.276 1.668 -6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.781 2.872 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.078 1.506 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.070 3.919 -10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.426 4.563 -10.146 1.00 0.00 H new ATOM 825 N ASP A 53 3.510 -0.009 -9.291 1.00 0.00 N ATOM 826 CA ASP A 53 2.787 -0.154 -10.541 1.00 0.00 C ATOM 827 C ASP A 53 1.967 -1.435 -10.515 1.00 0.00 C ATOM 828 O ASP A 53 0.882 -1.508 -11.088 1.00 0.00 O ATOM 829 CB ASP A 53 3.757 -0.177 -11.723 1.00 0.00 C ATOM 830 CG ASP A 53 3.066 0.090 -13.046 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.413 1.146 -13.172 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.179 -0.759 -13.956 1.00 0.00 O ATOM 0 H ASP A 53 4.522 -0.106 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 53 2.119 0.699 -10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.535 0.570 -11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.252 -1.147 -11.764 1.00 0.00 H new ATOM 837 N PHE A 54 2.519 -2.450 -9.858 1.00 0.00 N ATOM 838 CA PHE A 54 1.879 -3.747 -9.759 1.00 0.00 C ATOM 839 C PHE A 54 0.522 -3.647 -9.074 1.00 0.00 C ATOM 840 O PHE A 54 -0.487 -4.115 -9.605 1.00 0.00 O ATOM 841 CB PHE A 54 2.784 -4.679 -8.956 1.00 0.00 C ATOM 842 CG PHE A 54 3.268 -5.870 -9.722 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.478 -7.000 -9.842 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.518 -5.861 -10.315 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.925 -8.100 -10.543 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.974 -6.958 -11.016 1.00 0.00 C ATOM 847 CZ PHE A 54 4.177 -8.082 -11.131 1.00 0.00 C ATOM 0 H PHE A 54 3.420 -2.392 -9.382 1.00 0.00 H new ATOM 0 HA PHE A 54 1.720 -4.135 -10.765 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.646 -4.114 -8.601 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.243 -5.023 -8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.501 -7.020 -9.382 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.144 -4.985 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.298 -8.975 -10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.952 -6.939 -11.474 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.531 -8.943 -11.678 1.00 0.00 H new ATOM 857 N LEU A 55 0.498 -3.022 -7.905 1.00 0.00 N ATOM 858 CA LEU A 55 -0.744 -2.847 -7.167 1.00 0.00 C ATOM 859 C LEU A 55 -1.592 -1.763 -7.810 1.00 0.00 C ATOM 860 O LEU A 55 -2.817 -1.846 -7.828 1.00 0.00 O ATOM 861 CB LEU A 55 -0.470 -2.501 -5.712 1.00 0.00 C ATOM 862 CG LEU A 55 0.753 -1.635 -5.483 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.343 -0.183 -5.450 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.452 -2.036 -4.197 1.00 0.00 C ATOM 0 H LEU A 55 1.321 -2.629 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.290 -3.790 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.342 -1.989 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.353 -3.427 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 55 1.458 -1.779 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.222 0.440 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.120 0.086 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.370 -0.025 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.328 -1.405 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.768 -1.913 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.763 -3.079 -4.262 1.00 0.00 H new ATOM 876 N THR A 56 -0.920 -0.744 -8.337 1.00 0.00 N ATOM 877 CA THR A 56 -1.597 0.362 -8.986 1.00 0.00 C ATOM 878 C THR A 56 -2.404 -0.162 -10.166 1.00 0.00 C ATOM 879 O THR A 56 -3.538 0.256 -10.397 1.00 0.00 O ATOM 880 CB THR A 56 -0.577 1.413 -9.443 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.676 2.589 -8.659 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.722 1.815 -10.891 1.00 0.00 C ATOM 0 H THR A 56 0.097 -0.666 -8.325 1.00 0.00 H new ATOM 0 HA THR A 56 -2.277 0.839 -8.280 1.00 0.00 H new ATOM 0 HB THR A 56 0.393 0.933 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.015 3.244 -8.967 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.033 2.561 -11.139 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.590 0.939 -11.527 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.714 2.236 -11.054 1.00 0.00 H new ATOM 890 N LYS A 57 -1.812 -1.106 -10.888 1.00 0.00 N ATOM 891 CA LYS A 57 -2.471 -1.724 -12.022 1.00 0.00 C ATOM 892 C LYS A 57 -3.534 -2.682 -11.513 1.00 0.00 C ATOM 893 O LYS A 57 -4.599 -2.831 -12.111 1.00 0.00 O ATOM 894 CB LYS A 57 -1.460 -2.470 -12.895 1.00 0.00 C ATOM 895 CG LYS A 57 -1.396 -1.958 -14.325 1.00 0.00 C ATOM 896 CD LYS A 57 -0.049 -1.324 -14.630 1.00 0.00 C ATOM 897 CE LYS A 57 -0.182 0.168 -14.888 1.00 0.00 C ATOM 898 NZ LYS A 57 -1.086 0.455 -16.037 1.00 0.00 N ATOM 0 H LYS A 57 -0.873 -1.458 -10.704 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.935 -0.950 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.471 -2.387 -12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.716 -3.529 -12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.576 -2.782 -15.016 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.188 -1.227 -14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.631 -1.491 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.393 -1.807 -15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.565 0.658 -13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.803 0.591 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.797 1.344 -16.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.028 -0.321 -16.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.064 0.543 -15.695 1.00 0.00 H new ATOM 912 N HIS A 58 -3.234 -3.317 -10.381 1.00 0.00 N ATOM 913 CA HIS A 58 -4.158 -4.251 -9.759 1.00 0.00 C ATOM 914 C HIS A 58 -5.410 -3.517 -9.294 1.00 0.00 C ATOM 915 O HIS A 58 -6.508 -4.075 -9.299 1.00 0.00 O ATOM 916 CB HIS A 58 -3.492 -4.944 -8.573 1.00 0.00 C ATOM 917 CG HIS A 58 -3.955 -6.355 -8.375 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.440 -7.421 -9.080 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.893 -6.872 -7.547 1.00 0.00 C ATOM 920 CE1 HIS A 58 -4.042 -8.533 -8.697 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.927 -8.226 -7.768 1.00 0.00 N ATOM 0 H HIS A 58 -2.355 -3.198 -9.878 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.440 -5.005 -10.495 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.412 -4.940 -8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.693 -4.372 -7.667 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.708 -7.361 -9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.501 -6.322 -6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.844 -9.524 -9.079 1.00 0.00 H new ATOM 983 N GLY A 63 -7.654 3.025 -6.187 1.00 0.00 N ATOM 984 CA GLY A 63 -6.245 2.951 -5.848 1.00 0.00 C ATOM 985 C GLY A 63 -5.971 1.989 -4.708 1.00 0.00 C ATOM 986 O GLY A 63 -6.872 1.285 -4.253 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.679 2.639 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.888 3.944 -5.575 1.00 0.00 H new ATOM 990 N SER A 64 -4.725 1.960 -4.247 1.00 0.00 N ATOM 991 CA SER A 64 -4.329 1.078 -3.152 1.00 0.00 C ATOM 992 C SER A 64 -3.738 1.884 -2.000 1.00 0.00 C ATOM 993 O SER A 64 -3.357 3.041 -2.177 1.00 0.00 O ATOM 994 CB SER A 64 -3.316 0.043 -3.642 1.00 0.00 C ATOM 995 OG SER A 64 -1.988 0.502 -3.458 1.00 0.00 O ATOM 0 H SER A 64 -3.969 2.538 -4.615 1.00 0.00 H new ATOM 0 HA SER A 64 -5.218 0.559 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.458 -0.893 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.488 -0.168 -4.697 1.00 0.00 H new ATOM 0 HG SER A 64 -1.493 -0.140 -2.907 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.658 1.274 -0.819 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.104 1.963 0.343 1.00 0.00 C ATOM 1003 C TRP A 65 -1.716 1.444 0.663 1.00 0.00 C ATOM 1004 O TRP A 65 -1.484 0.236 0.698 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.021 1.821 1.559 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.152 2.804 1.555 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.057 4.162 1.676 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.546 2.509 1.416 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.308 4.728 1.623 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.239 3.734 1.462 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.276 1.329 1.258 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.625 3.811 1.354 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.652 1.406 1.150 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.314 2.639 1.198 1.00 0.00 C ATOM 0 H TRP A 65 -3.965 0.317 -0.643 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.030 3.022 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.426 0.809 1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.434 1.954 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.134 4.710 1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.511 5.725 1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.774 0.373 1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.138 4.761 1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.226 0.500 1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.390 2.666 1.110 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.795 2.371 0.878 1.00 0.00 N ATOM 1026 CA ILE A 66 0.583 2.028 1.176 1.00 0.00 C ATOM 1027 C ILE A 66 0.964 2.423 2.595 1.00 0.00 C ATOM 1028 O ILE A 66 0.239 3.153 3.267 1.00 0.00 O ATOM 1029 CB ILE A 66 1.546 2.701 0.186 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.738 4.173 0.557 1.00 0.00 C ATOM 1031 CG2 ILE A 66 1.009 2.562 -1.230 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.260 5.025 -0.577 1.00 0.00 C ATOM 0 H ILE A 66 -0.981 3.373 0.851 1.00 0.00 H new ATOM 0 HA ILE A 66 0.667 0.945 1.080 1.00 0.00 H new ATOM 0 HB ILE A 66 2.517 2.209 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.785 4.580 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.430 4.239 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.696 3.041 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.914 1.506 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.032 3.040 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.370 6.055 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.228 4.645 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.559 4.991 -1.411 1.00 0.00 H new ATOM 1044 N GLY A 67 2.107 1.920 3.035 1.00 0.00 N ATOM 1045 CA GLY A 67 2.592 2.205 4.368 1.00 0.00 C ATOM 1046 C GLY A 67 3.215 3.578 4.487 1.00 0.00 C ATOM 1047 O GLY A 67 4.371 3.706 4.889 1.00 0.00 O ATOM 0 H GLY A 67 2.714 1.312 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.766 2.124 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.328 1.452 4.650 1.00 0.00 H new ATOM 1051 N LEU A 68 2.453 4.606 4.141 1.00 0.00 N ATOM 1052 CA LEU A 68 2.952 5.971 4.219 1.00 0.00 C ATOM 1053 C LEU A 68 2.084 6.851 5.111 1.00 0.00 C ATOM 1054 O LEU A 68 0.874 6.967 4.914 1.00 0.00 O ATOM 1055 CB LEU A 68 3.032 6.593 2.823 1.00 0.00 C ATOM 1056 CG LEU A 68 3.930 7.830 2.712 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.288 9.030 3.389 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.295 7.552 3.313 1.00 0.00 C ATOM 0 H LEU A 68 1.493 4.522 3.806 1.00 0.00 H new ATOM 0 HA LEU A 68 3.948 5.918 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.394 5.837 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.025 6.864 2.505 1.00 0.00 H new ATOM 0 HG LEU A 68 4.056 8.062 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.945 9.895 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.332 9.248 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.126 8.809 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.919 8.441 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.183 7.290 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.765 6.725 2.781 1.00 0.00 H new ATOM 1070 N ARG A 69 2.737 7.498 6.067 1.00 0.00 N ATOM 1071 CA ARG A 69 2.080 8.416 6.984 1.00 0.00 C ATOM 1072 C ARG A 69 2.975 9.636 7.204 1.00 0.00 C ATOM 1073 O ARG A 69 4.108 9.502 7.663 1.00 0.00 O ATOM 1074 CB ARG A 69 1.769 7.713 8.311 1.00 0.00 C ATOM 1075 CG ARG A 69 1.856 8.615 9.533 1.00 0.00 C ATOM 1076 CD ARG A 69 2.995 8.202 10.450 1.00 0.00 C ATOM 1077 NE ARG A 69 2.509 7.584 11.681 1.00 0.00 N ATOM 1078 CZ ARG A 69 3.264 7.388 12.758 1.00 0.00 C ATOM 1079 NH1 ARG A 69 4.537 7.763 12.757 1.00 0.00 N ATOM 1080 NH2 ARG A 69 2.746 6.820 13.838 1.00 0.00 N ATOM 0 H ARG A 69 3.739 7.400 6.228 1.00 0.00 H new ATOM 0 HA ARG A 69 1.134 8.747 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.766 7.289 8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.461 6.880 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.000 9.648 9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.915 8.579 10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.647 7.503 9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.597 9.076 10.696 1.00 0.00 H new ATOM 0 HE ARG A 69 1.534 7.286 11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.938 8.203 11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.114 7.612 13.584 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.767 6.533 13.844 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.326 6.670 14.663 1.00 0.00 H new ATOM 1094 N ASN A 70 2.475 10.822 6.875 1.00 0.00 N ATOM 1095 CA ASN A 70 3.259 12.042 7.041 1.00 0.00 C ATOM 1096 C ASN A 70 3.062 12.639 8.431 1.00 0.00 C ATOM 1097 O ASN A 70 1.999 12.497 9.034 1.00 0.00 O ATOM 1098 CB ASN A 70 2.896 13.065 5.958 1.00 0.00 C ATOM 1099 CG ASN A 70 2.539 14.427 6.526 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.368 14.796 6.599 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.554 15.185 6.927 1.00 0.00 N ATOM 0 H ASN A 70 1.539 10.965 6.495 1.00 0.00 H new ATOM 0 HA ASN A 70 4.312 11.782 6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.735 13.172 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.055 12.688 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.377 16.112 7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.511 14.840 6.848 1.00 0.00 H new ATOM 1202 N PHE A 77 7.297 12.653 4.974 1.00 0.00 N ATOM 1203 CA PHE A 77 6.473 11.452 4.971 1.00 0.00 C ATOM 1204 C PHE A 77 7.239 10.284 5.579 1.00 0.00 C ATOM 1205 O PHE A 77 8.342 9.955 5.145 1.00 0.00 O ATOM 1206 CB PHE A 77 6.019 11.091 3.549 1.00 0.00 C ATOM 1207 CG PHE A 77 5.657 12.267 2.674 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.472 13.535 3.210 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.513 12.098 1.305 1.00 0.00 C ATOM 1210 CE1 PHE A 77 5.152 14.607 2.401 1.00 0.00 C ATOM 1211 CE2 PHE A 77 5.196 13.171 0.492 1.00 0.00 C ATOM 1212 CZ PHE A 77 5.015 14.425 1.040 1.00 0.00 C ATOM 0 HA PHE A 77 5.587 11.655 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.815 10.527 3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.156 10.429 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.580 13.684 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.650 11.119 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.009 15.587 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.090 13.028 -0.573 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.767 15.262 0.405 1.00 0.00 H new ATOM 1222 N ILE A 78 6.647 9.670 6.591 1.00 0.00 N ATOM 1223 CA ILE A 78 7.260 8.546 7.275 1.00 0.00 C ATOM 1224 C ILE A 78 6.437 7.278 7.078 1.00 0.00 C ATOM 1225 O ILE A 78 5.210 7.315 7.096 1.00 0.00 O ATOM 1226 CB ILE A 78 7.414 8.843 8.778 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.872 9.218 9.087 1.00 0.00 C ATOM 1228 CG2 ILE A 78 6.939 7.664 9.622 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.592 8.258 10.014 1.00 0.00 C ATOM 0 H ILE A 78 5.733 9.936 6.959 1.00 0.00 H new ATOM 0 HA ILE A 78 8.249 8.391 6.844 1.00 0.00 H new ATOM 0 HB ILE A 78 6.782 9.692 9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.424 9.278 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.890 10.213 9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.059 7.901 10.679 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.888 7.466 9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.530 6.781 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.613 8.604 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.070 8.214 10.970 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.611 7.265 9.565 1.00 0.00 H new ATOM 1241 N TRP A 79 7.118 6.157 6.894 1.00 0.00 N ATOM 1242 CA TRP A 79 6.438 4.884 6.694 1.00 0.00 C ATOM 1243 C TRP A 79 5.874 4.363 8.010 1.00 0.00 C ATOM 1244 O TRP A 79 6.407 4.649 9.082 1.00 0.00 O ATOM 1245 CB TRP A 79 7.398 3.844 6.103 1.00 0.00 C ATOM 1246 CG TRP A 79 7.911 4.191 4.735 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.619 5.304 4.001 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.815 3.413 3.940 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.282 5.265 2.798 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.023 4.114 2.737 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.467 2.191 4.129 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.855 3.635 1.730 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.294 1.716 3.127 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.481 2.436 1.941 1.00 0.00 C ATOM 0 H TRP A 79 8.136 6.101 6.879 1.00 0.00 H new ATOM 0 HA TRP A 79 5.618 5.050 5.995 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.246 3.723 6.777 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.889 2.881 6.055 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.962 6.100 4.319 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.231 5.977 2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.328 1.628 5.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.002 4.189 0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.804 0.774 3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.132 2.037 1.177 1.00 0.00 H new ATOM 1265 N VAL A 80 4.793 3.596 7.919 1.00 0.00 N ATOM 1266 CA VAL A 80 4.153 3.024 9.100 1.00 0.00 C ATOM 1267 C VAL A 80 5.133 2.135 9.861 1.00 0.00 C ATOM 1268 O VAL A 80 5.008 1.940 11.071 1.00 0.00 O ATOM 1269 CB VAL A 80 2.908 2.199 8.707 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.157 1.463 7.405 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.515 1.227 9.811 1.00 0.00 C ATOM 0 H VAL A 80 4.340 3.355 7.037 1.00 0.00 H new ATOM 0 HA VAL A 80 3.841 3.848 9.742 1.00 0.00 H new ATOM 0 HB VAL A 80 2.075 2.888 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.272 0.885 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.371 2.183 6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.007 0.791 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.635 0.662 9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.339 0.540 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.289 1.782 10.721 1.00 0.00 H new ATOM 1281 N ASP A 81 6.114 1.605 9.138 1.00 0.00 N ATOM 1282 CA ASP A 81 7.124 0.738 9.732 1.00 0.00 C ATOM 1283 C ASP A 81 8.154 1.558 10.499 1.00 0.00 C ATOM 1284 O ASP A 81 9.051 1.009 11.140 1.00 0.00 O ATOM 1285 CB ASP A 81 7.818 -0.086 8.647 1.00 0.00 C ATOM 1286 CG ASP A 81 8.520 -1.307 9.209 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.867 -2.085 9.937 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.721 -1.486 8.922 1.00 0.00 O ATOM 0 H ASP A 81 6.231 1.762 8.137 1.00 0.00 H new ATOM 0 HA ASP A 81 6.628 0.063 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.082 -0.402 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.544 0.540 8.127 1.00 0.00 H new ATOM 1293 N GLY A 82 8.010 2.877 10.433 1.00 0.00 N ATOM 1294 CA GLY A 82 8.922 3.761 11.128 1.00 0.00 C ATOM 1295 C GLY A 82 10.181 4.051 10.333 1.00 0.00 C ATOM 1296 O GLY A 82 11.279 4.080 10.890 1.00 0.00 O ATOM 0 H GLY A 82 7.274 3.350 9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.413 4.699 11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.196 3.314 12.084 1.00 0.00 H new ATOM 1300 N SER A 83 10.026 4.270 9.030 1.00 0.00 N ATOM 1301 CA SER A 83 11.166 4.561 8.168 1.00 0.00 C ATOM 1302 C SER A 83 10.817 5.629 7.134 1.00 0.00 C ATOM 1303 O SER A 83 9.854 5.487 6.387 1.00 0.00 O ATOM 1304 CB SER A 83 11.638 3.289 7.464 1.00 0.00 C ATOM 1305 OG SER A 83 12.932 3.460 6.913 1.00 0.00 O ATOM 0 H SER A 83 9.126 4.252 8.550 1.00 0.00 H new ATOM 0 HA SER A 83 11.971 4.942 8.796 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.648 2.460 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.935 3.025 6.674 1.00 0.00 H new ATOM 0 HG SER A 83 13.211 2.632 6.470 1.00 0.00 H new ATOM 1311 N HIS A 84 11.608 6.697 7.096 1.00 0.00 N ATOM 1312 CA HIS A 84 11.378 7.783 6.150 1.00 0.00 C ATOM 1313 C HIS A 84 11.420 7.271 4.715 1.00 0.00 C ATOM 1314 O HIS A 84 12.147 6.329 4.399 1.00 0.00 O ATOM 1315 CB HIS A 84 12.418 8.889 6.348 1.00 0.00 C ATOM 1316 CG HIS A 84 12.425 9.916 5.258 1.00 0.00 C ATOM 1317 ND1 HIS A 84 11.295 10.596 4.856 1.00 0.00 N ATOM 1318 CD2 HIS A 84 13.436 10.380 4.484 1.00 0.00 C ATOM 1319 CE1 HIS A 84 11.609 11.432 3.882 1.00 0.00 C ATOM 1320 NE2 HIS A 84 12.901 11.321 3.638 1.00 0.00 N ATOM 0 H HIS A 84 12.412 6.833 7.708 1.00 0.00 H new ATOM 0 HA HIS A 84 10.386 8.194 6.338 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.230 9.385 7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.407 8.437 6.414 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.362 10.473 5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.469 10.068 4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.924 12.094 3.372 1.00 0.00 H new ATOM 1329 N VAL A 85 10.631 7.902 3.852 1.00 0.00 N ATOM 1330 CA VAL A 85 10.565 7.519 2.444 1.00 0.00 C ATOM 1331 C VAL A 85 11.950 7.523 1.802 1.00 0.00 C ATOM 1332 O VAL A 85 12.875 8.165 2.301 1.00 0.00 O ATOM 1333 CB VAL A 85 9.641 8.462 1.648 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.315 7.869 0.286 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.367 8.743 2.428 1.00 0.00 C ATOM 0 H VAL A 85 10.026 8.684 4.103 1.00 0.00 H new ATOM 0 HA VAL A 85 10.158 6.508 2.413 1.00 0.00 H new ATOM 0 HB VAL A 85 10.164 9.405 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.662 8.550 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.237 7.721 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.812 6.911 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.727 9.410 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.841 7.807 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.619 9.214 3.378 1.00 0.00 H new ATOM 1345 N ASP A 86 12.085 6.800 0.693 1.00 0.00 N ATOM 1346 CA ASP A 86 13.357 6.717 -0.017 1.00 0.00 C ATOM 1347 C ASP A 86 13.197 7.118 -1.481 1.00 0.00 C ATOM 1348 O ASP A 86 13.829 8.068 -1.945 1.00 0.00 O ATOM 1349 CB ASP A 86 13.920 5.298 0.074 1.00 0.00 C ATOM 1350 CG ASP A 86 14.088 4.834 1.507 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.791 5.524 2.276 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.517 3.781 1.861 1.00 0.00 O ATOM 0 H ASP A 86 11.329 6.264 0.267 1.00 0.00 H new ATOM 0 HA ASP A 86 14.052 7.412 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.256 4.612 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.884 5.259 -0.433 1.00 0.00 H new ATOM 1357 N TYR A 87 12.356 6.385 -2.205 1.00 0.00 N ATOM 1358 CA TYR A 87 12.121 6.663 -3.618 1.00 0.00 C ATOM 1359 C TYR A 87 10.938 7.604 -3.808 1.00 0.00 C ATOM 1360 O TYR A 87 11.013 8.564 -4.576 1.00 0.00 O ATOM 1361 CB TYR A 87 11.880 5.359 -4.383 1.00 0.00 C ATOM 1362 CG TYR A 87 12.969 4.328 -4.184 1.00 0.00 C ATOM 1363 CD1 TYR A 87 12.979 3.507 -3.062 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.986 4.175 -5.118 1.00 0.00 C ATOM 1365 CE1 TYR A 87 13.973 2.564 -2.878 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.982 3.234 -4.940 1.00 0.00 C ATOM 1367 CZ TYR A 87 14.970 2.432 -3.819 1.00 0.00 C ATOM 1368 OH TYR A 87 15.962 1.493 -3.639 1.00 0.00 O ATOM 0 H TYR A 87 11.826 5.595 -1.837 1.00 0.00 H new ATOM 0 HA TYR A 87 13.011 7.152 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 87 10.927 4.934 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.793 5.582 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.198 3.608 -2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.998 4.802 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.968 1.934 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.766 3.127 -5.675 1.00 0.00 H new ATOM 0 HH TYR A 87 16.586 1.528 -4.393 1.00 0.00 H new ATOM 1378 N SER A 88 9.846 7.320 -3.102 1.00 0.00 N ATOM 1379 CA SER A 88 8.631 8.133 -3.179 1.00 0.00 C ATOM 1380 C SER A 88 8.076 8.166 -4.603 1.00 0.00 C ATOM 1381 O SER A 88 8.802 7.927 -5.567 1.00 0.00 O ATOM 1382 CB SER A 88 8.898 9.557 -2.689 1.00 0.00 C ATOM 1383 OG SER A 88 10.253 9.732 -2.311 1.00 0.00 O ATOM 0 H SER A 88 9.776 6.527 -2.465 1.00 0.00 H new ATOM 0 HA SER A 88 7.886 7.672 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.644 10.267 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.251 9.778 -1.840 1.00 0.00 H new ATOM 0 HG SER A 88 10.391 10.653 -2.004 1.00 0.00 H new ATOM 1389 N ASN A 89 6.781 8.452 -4.730 1.00 0.00 N ATOM 1390 CA ASN A 89 6.142 8.498 -6.040 1.00 0.00 C ATOM 1391 C ASN A 89 5.168 9.671 -6.174 1.00 0.00 C ATOM 1392 O ASN A 89 4.755 9.995 -7.288 1.00 0.00 O ATOM 1393 CB ASN A 89 5.389 7.195 -6.303 1.00 0.00 C ATOM 1394 CG ASN A 89 6.296 6.031 -6.649 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.726 4.831 -6.663 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 7.488 6.206 -6.904 1.00 0.00 N flip ATOM 0 H ASN A 89 6.159 8.654 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 89 6.936 8.634 -6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.803 6.939 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.684 7.351 -7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.882 7.147 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.082 5.410 -7.139 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.805 10.775 4.347 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.774 9.463 3.704 1.00 0.00 C ATOM 1600 C CYS A 104 -1.487 9.578 2.209 1.00 0.00 C ATOM 1601 O CYS A 104 -1.915 10.529 1.550 1.00 0.00 O ATOM 1602 CB CYS A 104 -3.100 8.725 3.913 1.00 0.00 C ATOM 1603 SG CYS A 104 -4.572 9.669 3.394 1.00 0.00 S ATOM 0 HA CYS A 104 -0.968 8.896 4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.071 7.786 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -3.199 8.471 4.968 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.640 8.960 3.609 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.766 8.596 1.678 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.434 8.577 0.262 1.00 0.00 C ATOM 1610 C VAL A 105 -1.261 7.524 -0.470 1.00 0.00 C ATOM 1611 O VAL A 105 -1.334 6.368 -0.050 1.00 0.00 O ATOM 1612 CB VAL A 105 1.067 8.318 0.040 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.354 8.023 -1.422 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.877 9.516 0.498 1.00 0.00 C ATOM 0 H VAL A 105 -0.402 7.804 2.208 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.672 9.560 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 105 1.355 7.447 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.421 7.843 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.796 7.139 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.051 8.875 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.937 9.322 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.578 10.396 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.698 9.692 1.559 1.00 0.00 H new ATOM 1624 N MET A 106 -1.898 7.944 -1.556 1.00 0.00 N ATOM 1625 CA MET A 106 -2.744 7.070 -2.355 1.00 0.00 C ATOM 1626 C MET A 106 -2.218 6.954 -3.779 1.00 0.00 C ATOM 1627 O MET A 106 -1.316 7.681 -4.176 1.00 0.00 O ATOM 1628 CB MET A 106 -4.179 7.596 -2.371 1.00 0.00 C ATOM 1629 CG MET A 106 -4.331 8.933 -3.078 1.00 0.00 C ATOM 1630 SD MET A 106 -5.570 8.889 -4.387 1.00 0.00 S ATOM 1631 CE MET A 106 -4.543 9.133 -5.834 1.00 0.00 C ATOM 0 H MET A 106 -1.842 8.900 -1.907 1.00 0.00 H new ATOM 0 HA MET A 106 -2.730 6.079 -1.902 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.820 6.862 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.532 7.695 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.605 9.696 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.371 9.227 -3.502 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.011 8.659 -6.697 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.429 10.200 -6.024 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.563 8.688 -5.663 1.00 0.00 H new ATOM 1641 N MET A 107 -2.789 6.036 -4.545 1.00 0.00 N ATOM 1642 CA MET A 107 -2.373 5.833 -5.929 1.00 0.00 C ATOM 1643 C MET A 107 -3.550 6.044 -6.873 1.00 0.00 C ATOM 1644 O MET A 107 -4.635 5.501 -6.664 1.00 0.00 O ATOM 1645 CB MET A 107 -1.822 4.424 -6.139 1.00 0.00 C ATOM 1646 CG MET A 107 -1.859 3.549 -4.901 1.00 0.00 C ATOM 1647 SD MET A 107 -0.212 3.092 -4.329 1.00 0.00 S ATOM 1648 CE MET A 107 0.644 2.880 -5.889 1.00 0.00 C ATOM 0 H MET A 107 -3.540 5.420 -4.234 1.00 0.00 H new ATOM 0 HA MET A 107 -1.589 6.559 -6.144 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.392 3.938 -6.931 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.792 4.497 -6.487 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.384 4.075 -4.104 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.429 2.645 -5.116 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.596 2.378 -5.716 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.033 2.277 -6.560 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.825 3.856 -6.340 1.00 0.00 H new ATOM 1707 N ARG A 112 0.801 6.022 -10.447 1.00 0.00 N ATOM 1708 CA ARG A 112 1.746 6.470 -9.433 1.00 0.00 C ATOM 1709 C ARG A 112 1.044 6.788 -8.115 1.00 0.00 C ATOM 1710 O ARG A 112 -0.065 6.322 -7.857 1.00 0.00 O ATOM 1711 CB ARG A 112 2.513 7.702 -9.925 1.00 0.00 C ATOM 1712 CG ARG A 112 1.647 8.720 -10.654 1.00 0.00 C ATOM 1713 CD ARG A 112 0.821 9.551 -9.685 1.00 0.00 C ATOM 1714 NE ARG A 112 -0.545 9.752 -10.160 1.00 0.00 N ATOM 1715 CZ ARG A 112 -0.918 10.775 -10.923 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -0.028 11.680 -11.308 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -2.184 10.891 -11.305 1.00 0.00 N ATOM 0 HA ARG A 112 2.448 5.656 -9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.986 8.188 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.313 7.377 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 112 2.281 9.378 -11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.984 8.203 -11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.798 9.057 -8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.300 10.519 -9.539 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.253 9.069 -9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.946 11.592 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.318 12.463 -11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.871 10.195 -11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.470 11.676 -11.890 1.00 0.00 H new ATOM 1731 N TRP A 113 1.712 7.586 -7.290 1.00 0.00 N ATOM 1732 CA TRP A 113 1.192 7.988 -5.992 1.00 0.00 C ATOM 1733 C TRP A 113 0.780 9.443 -5.988 1.00 0.00 C ATOM 1734 O TRP A 113 1.244 10.244 -6.796 1.00 0.00 O ATOM 1735 CB TRP A 113 2.245 7.873 -4.894 1.00 0.00 C ATOM 1736 CG TRP A 113 2.772 6.512 -4.615 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.518 5.351 -5.277 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.690 6.198 -3.575 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.225 4.321 -4.699 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.956 4.821 -3.647 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.310 6.965 -2.587 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.824 4.187 -2.760 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.173 6.339 -1.707 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.423 4.961 -1.799 1.00 0.00 C ATOM 0 H TRP A 113 2.631 7.972 -7.504 1.00 0.00 H new ATOM 0 HA TRP A 113 0.348 7.323 -5.807 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.085 8.515 -5.159 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.820 8.269 -3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.861 5.252 -6.128 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.209 3.347 -5.001 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.119 8.025 -2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.018 3.127 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.662 6.919 -0.938 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.102 4.500 -1.097 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.026 9.780 -5.005 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.440 11.144 -4.791 1.00 0.00 C ATOM 1757 C ASN A 114 -0.454 11.394 -3.292 1.00 0.00 C ATOM 1758 O ASN A 114 -1.170 10.728 -2.546 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.825 11.395 -5.389 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.755 11.903 -6.815 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.504 11.266 -7.709 1.00 0.00 O flip ATOM 1762 ND2 ASN A 114 -1.037 12.858 -7.112 1.00 0.00 N flip ATOM 0 H ASN A 114 -0.411 9.115 -4.334 1.00 0.00 H new ATOM 0 HA ASN A 114 0.253 11.826 -5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.402 10.470 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.358 12.120 -4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.478 13.318 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.001 13.189 -8.076 1.00 0.00 H new ATOM 1769 N ASP A 115 0.355 12.345 -2.857 1.00 0.00 N ATOM 1770 CA ASP A 115 0.454 12.675 -1.448 1.00 0.00 C ATOM 1771 C ASP A 115 -0.582 13.720 -1.051 1.00 0.00 C ATOM 1772 O ASP A 115 -0.605 14.824 -1.594 1.00 0.00 O ATOM 1773 CB ASP A 115 1.860 13.180 -1.135 1.00 0.00 C ATOM 1774 CG ASP A 115 2.073 13.376 0.353 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.347 12.379 1.052 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.962 14.529 0.820 1.00 0.00 O ATOM 0 H ASP A 115 0.955 12.904 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 115 0.256 11.773 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.594 12.470 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.030 14.124 -1.653 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.439 13.363 -0.097 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.475 14.264 0.376 1.00 0.00 C ATOM 1783 C ALA A 116 -2.914 13.885 1.783 1.00 0.00 C ATOM 1784 O ALA A 116 -2.671 12.768 2.236 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.663 14.253 -0.575 1.00 0.00 C ATOM 0 H ALA A 116 -1.432 12.452 0.362 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.065 15.274 0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.431 14.933 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.339 14.574 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.071 13.244 -0.636 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.024 5.882 -1.823 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.607 4.777 -2.675 1.00 0.00 C ATOM 1881 C LEU A 122 -10.621 3.641 -2.620 1.00 0.00 C ATOM 1882 O LEU A 122 -11.758 3.837 -2.193 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.226 4.275 -2.253 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.102 5.302 -2.384 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.937 6.081 -1.090 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.800 4.618 -2.767 1.00 0.00 C ATOM 0 HA LEU A 122 -9.551 5.138 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.277 3.944 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.973 3.402 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.367 6.005 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.132 6.807 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.866 6.602 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.694 5.393 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.010 5.364 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.530 3.893 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.925 4.106 -3.721 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.211 2.454 -3.058 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.113 1.320 -3.047 1.00 0.00 C ATOM 1900 C GLY A 123 -10.397 -0.016 -2.978 1.00 0.00 C ATOM 1901 O GLY A 123 -10.976 -1.047 -3.320 1.00 0.00 O ATOM 0 H GLY A 123 -9.277 2.259 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.786 1.408 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.731 1.347 -3.945 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.143 -0.009 -2.532 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.380 -1.246 -2.425 1.00 0.00 C ATOM 1907 C ALA A 124 -7.395 -1.194 -1.273 1.00 0.00 C ATOM 1908 O ALA A 124 -6.639 -0.233 -1.131 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.660 -1.545 -3.728 1.00 0.00 C ATOM 0 H ALA A 124 -8.640 0.830 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.085 -2.052 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.096 -2.472 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.389 -1.649 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.977 -0.728 -3.962 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.398 -2.245 -0.460 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.491 -2.324 0.674 1.00 0.00 C ATOM 1917 C TRP A 125 -5.337 -3.258 0.352 1.00 0.00 C ATOM 1918 O TRP A 125 -5.526 -4.456 0.151 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.224 -2.782 1.941 1.00 0.00 C ATOM 1920 CG TRP A 125 -7.978 -4.068 1.787 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.089 -4.285 1.023 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -7.684 -5.313 2.429 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.497 -5.590 1.144 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.652 -6.242 2.003 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -6.693 -5.735 3.321 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -8.659 -7.564 2.439 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -6.701 -7.047 3.753 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -7.678 -7.948 3.312 1.00 0.00 C ATOM 0 H TRP A 125 -8.016 -3.049 -0.566 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.094 -1.327 0.866 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.498 -2.894 2.746 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.920 -2.001 2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.576 -3.539 0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.299 -6.007 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -5.935 -5.047 3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.411 -8.261 2.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.941 -7.384 4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.657 -8.967 3.668 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.141 -2.693 0.286 1.00 0.00 N ATOM 1940 CA VAL A 126 -2.955 -3.459 -0.032 1.00 0.00 C ATOM 1941 C VAL A 126 -2.027 -3.546 1.181 1.00 0.00 C ATOM 1942 O VAL A 126 -1.825 -2.567 1.901 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.219 -2.835 -1.235 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.770 -3.240 -1.257 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.889 -3.239 -2.533 1.00 0.00 C ATOM 0 H VAL A 126 -3.970 -1.701 0.450 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.260 -4.471 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.269 -1.751 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.278 -2.785 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.284 -2.904 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.697 -4.325 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.357 -2.790 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.870 -4.325 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.923 -2.893 -2.532 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.501 -4.742 1.410 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.624 -5.020 2.545 1.00 0.00 C ATOM 1957 C CYS A 127 0.530 -5.914 2.128 1.00 0.00 C ATOM 1958 O CYS A 127 0.517 -6.480 1.045 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.402 -5.686 3.681 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.101 -5.068 3.888 1.00 0.00 S ATOM 0 H CYS A 127 -1.670 -5.551 0.813 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.226 -4.068 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.438 -6.760 3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.858 -5.538 4.614 1.00 0.00 H new ATOM 1965 N ASP A 128 1.534 -6.038 2.986 1.00 0.00 N ATOM 1966 CA ASP A 128 2.670 -6.882 2.686 1.00 0.00 C ATOM 1967 C ASP A 128 2.899 -7.876 3.817 1.00 0.00 C ATOM 1968 O ASP A 128 2.733 -7.552 4.991 1.00 0.00 O ATOM 1969 CB ASP A 128 3.920 -6.035 2.467 1.00 0.00 C ATOM 1970 CG ASP A 128 4.451 -5.439 3.757 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.985 -4.346 4.140 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.331 -6.066 4.383 1.00 0.00 O ATOM 0 H ASP A 128 1.580 -5.566 3.889 1.00 0.00 H new ATOM 0 HA ASP A 128 2.461 -7.434 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.695 -6.649 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.693 -5.232 1.766 1.00 0.00 H new ATOM 1977 N ARG A 129 3.285 -9.086 3.447 1.00 0.00 N ATOM 1978 CA ARG A 129 3.545 -10.146 4.410 1.00 0.00 C ATOM 1979 C ARG A 129 4.453 -11.195 3.792 1.00 0.00 C ATOM 1980 O ARG A 129 4.453 -11.379 2.578 1.00 0.00 O ATOM 1981 CB ARG A 129 2.231 -10.786 4.867 1.00 0.00 C ATOM 1982 CG ARG A 129 2.414 -11.897 5.888 1.00 0.00 C ATOM 1983 CD ARG A 129 2.803 -11.346 7.251 1.00 0.00 C ATOM 1984 NE ARG A 129 3.548 -12.321 8.042 1.00 0.00 N ATOM 1985 CZ ARG A 129 3.606 -12.303 9.370 1.00 0.00 C ATOM 1986 NH1 ARG A 129 2.966 -11.363 10.054 1.00 0.00 N ATOM 1987 NH2 ARG A 129 4.304 -13.226 10.017 1.00 0.00 N ATOM 0 H ARG A 129 3.427 -9.361 2.475 1.00 0.00 H new ATOM 0 HA ARG A 129 4.041 -9.716 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.591 -10.014 5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.711 -11.186 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.489 -12.467 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.183 -12.588 5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.407 -10.448 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.904 -11.050 7.793 1.00 0.00 H new ATOM 0 HE ARG A 129 4.052 -13.057 7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.427 -10.651 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.013 -11.353 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.797 -13.951 9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 129 4.348 -13.211 11.036 1.00 0.00 H new ATOM 2001 N LEU A 130 5.217 -11.889 4.620 1.00 0.00 N ATOM 2002 CA LEU A 130 6.115 -12.921 4.120 1.00 0.00 C ATOM 2003 C LEU A 130 5.322 -14.087 3.537 1.00 0.00 C ATOM 2004 O LEU A 130 4.368 -14.570 4.148 1.00 0.00 O ATOM 2005 CB LEU A 130 7.046 -13.402 5.234 1.00 0.00 C ATOM 2006 CG LEU A 130 8.318 -12.567 5.435 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.525 -13.288 4.857 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.173 -11.182 4.805 1.00 0.00 C ATOM 0 H LEU A 130 5.235 -11.760 5.632 1.00 0.00 H new ATOM 0 HA LEU A 130 6.724 -12.494 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.488 -13.415 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.337 -14.431 5.022 1.00 0.00 H new ATOM 0 HG LEU A 130 8.468 -12.437 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.418 -12.682 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.649 -14.248 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.374 -13.452 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.089 -10.613 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.990 -11.286 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.336 -10.658 5.267 1.00 0.00 H new ATOM 2020 N ALA A 131 5.716 -14.523 2.344 1.00 0.00 N ATOM 2021 CA ALA A 131 5.039 -15.621 1.661 1.00 0.00 C ATOM 2022 C ALA A 131 5.103 -16.910 2.473 1.00 0.00 C ATOM 2023 O ALA A 131 6.055 -17.682 2.358 1.00 0.00 O ATOM 2024 CB ALA A 131 5.644 -15.835 0.282 1.00 0.00 C ATOM 0 H ALA A 131 6.504 -14.131 1.828 1.00 0.00 H new ATOM 0 HA ALA A 131 3.989 -15.349 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.130 -16.657 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.534 -14.926 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.702 -16.076 0.382 1.00 0.00 H new