USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 77 GLN :FLIP amide:sc= 0.907 F(o=-13!,f=1.8) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -123:sc= 0.883 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 175:sc= -3.28! (180deg=-1.66!) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -6.89! C(o=-10!,f=-21!) USER MOD Set 3.1: A 30 GLN : amide:sc= -7.37! C(o=-13!,f=-17!) USER MOD Set 3.2: A 75 ASN : amide:sc= -5.68! C(o=-13!,f=-16!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 166:sc= -0.807 USER MOD Single : A 15 ASN :FLIP amide:sc= -2.58! C(o=-4.4!,f=-2.6!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.945 F(o=-2.5!,f=-0.95) USER MOD Single : A 19 GLN : amide:sc= -0.409 K(o=-0.41,f=-1.6) USER MOD Single : A 23 SER OG : rot 96:sc= 1.19 USER MOD Single : A 28 ASN : amide:sc= -2.64! C(o=-2.6!,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 0.472 (180deg=-0.697) USER MOD Single : A 45 ASN : amide:sc= -7.06! C(o=-7.1!,f=-8.4!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.581 F(o=-2.8!,f=-0.58) USER MOD Single : A 52 LYS NZ :NH3+ -106:sc= -0.242 (180deg=-1.28!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 155:sc= 0 (180deg=-0.256) USER MOD Single : A 61 CYS SG : rot -79:sc= -1.28 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -150:sc= -2.89! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.47) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.442 K(o=-0.44,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.040 51.029 1.691 1.00 0.00 N ATOM 93 CA LYS A 8 4.174 49.606 1.952 1.00 0.00 C ATOM 94 C LYS A 8 5.640 49.263 2.198 1.00 0.00 C ATOM 95 O LYS A 8 6.529 50.058 1.895 1.00 0.00 O ATOM 96 CB LYS A 8 3.627 48.802 0.768 1.00 0.00 C ATOM 97 CG LYS A 8 2.127 49.077 0.630 1.00 0.00 C ATOM 98 CD LYS A 8 1.532 48.195 -0.471 1.00 0.00 C ATOM 99 CE LYS A 8 0.064 48.575 -0.690 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.289 48.392 -2.127 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.599 49.348 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.147 49.081 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.802 47.737 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.624 48.880 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.962 50.128 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.094 48.321 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.609 47.144 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.580 47.956 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.103 49.610 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.286 48.650 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.317 49.000 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.145 47.398 -2.396 1.00 0.00 H new ATOM 114 N PHE A 9 5.890 48.087 2.763 1.00 0.00 N ATOM 115 CA PHE A 9 7.258 47.675 3.057 1.00 0.00 C ATOM 116 C PHE A 9 7.996 47.249 1.791 1.00 0.00 C ATOM 117 O PHE A 9 7.387 46.776 0.832 1.00 0.00 O ATOM 118 CB PHE A 9 7.258 46.520 4.060 1.00 0.00 C ATOM 119 CG PHE A 9 6.899 47.044 5.432 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.787 47.890 6.102 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.683 46.688 6.032 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.466 48.381 7.372 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.360 47.179 7.302 1.00 0.00 C ATOM 124 CZ PHE A 9 6.252 48.026 7.974 1.00 0.00 C ATOM 0 H PHE A 9 5.174 47.409 3.024 1.00 0.00 H new ATOM 0 HA PHE A 9 7.776 48.533 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.543 45.757 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.239 46.046 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.723 48.165 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.996 46.035 5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.154 49.034 7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.423 46.905 7.764 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.004 48.404 8.955 1.00 0.00 H new ATOM 134 N THR A 10 9.318 47.415 1.807 1.00 0.00 N ATOM 135 CA THR A 10 10.148 47.039 0.665 1.00 0.00 C ATOM 136 C THR A 10 10.553 45.579 0.770 1.00 0.00 C ATOM 137 O THR A 10 10.522 44.999 1.853 1.00 0.00 O ATOM 138 CB THR A 10 11.417 47.893 0.636 1.00 0.00 C ATOM 139 OG1 THR A 10 12.202 47.593 1.781 1.00 0.00 O ATOM 140 CG2 THR A 10 11.051 49.375 0.643 1.00 0.00 C ATOM 0 H THR A 10 9.835 47.806 2.595 1.00 0.00 H new ATOM 0 HA THR A 10 9.570 47.198 -0.245 1.00 0.00 H new ATOM 0 HB THR A 10 11.981 47.673 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.105 47.956 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.961 49.975 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.445 49.604 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.485 49.606 1.546 1.00 0.00 H new ATOM 148 N ASP A 11 10.954 44.985 -0.348 1.00 0.00 N ATOM 149 CA ASP A 11 11.375 43.593 -0.332 1.00 0.00 C ATOM 150 C ASP A 11 12.484 43.389 0.699 1.00 0.00 C ATOM 151 O ASP A 11 12.478 42.409 1.440 1.00 0.00 O ATOM 152 CB ASP A 11 11.887 43.181 -1.715 1.00 0.00 C ATOM 153 CG ASP A 11 10.748 43.219 -2.727 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.614 43.371 -2.307 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.027 43.097 -3.908 1.00 0.00 O ATOM 0 H ASP A 11 10.996 45.438 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 11 10.517 42.976 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.687 43.852 -2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.311 42.178 -1.671 1.00 0.00 H new ATOM 160 N ASP A 12 13.433 44.323 0.748 1.00 0.00 N ATOM 161 CA ASP A 12 14.533 44.223 1.698 1.00 0.00 C ATOM 162 C ASP A 12 14.015 44.292 3.125 1.00 0.00 C ATOM 163 O ASP A 12 14.377 43.471 3.970 1.00 0.00 O ATOM 164 CB ASP A 12 15.535 45.349 1.449 1.00 0.00 C ATOM 165 CG ASP A 12 16.270 45.101 0.138 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.186 43.992 -0.364 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.909 46.021 -0.344 1.00 0.00 O ATOM 0 H ASP A 12 13.461 45.147 0.148 1.00 0.00 H new ATOM 0 HA ASP A 12 15.029 43.263 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.018 46.308 1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.248 45.403 2.272 1.00 0.00 H new ATOM 172 N GLU A 13 13.147 45.261 3.383 1.00 0.00 N ATOM 173 CA GLU A 13 12.568 45.411 4.709 1.00 0.00 C ATOM 174 C GLU A 13 11.697 44.202 5.017 1.00 0.00 C ATOM 175 O GLU A 13 11.681 43.692 6.137 1.00 0.00 O ATOM 176 CB GLU A 13 11.728 46.686 4.762 1.00 0.00 C ATOM 177 CG GLU A 13 12.651 47.903 4.662 1.00 0.00 C ATOM 178 CD GLU A 13 13.644 47.904 5.821 1.00 0.00 C ATOM 179 OE1 GLU A 13 13.372 47.241 6.808 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 14.659 48.571 5.705 1.00 0.00 O ATOM 0 H GLU A 13 12.831 45.948 2.698 1.00 0.00 H new ATOM 0 HA GLU A 13 13.364 45.480 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.006 46.694 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.159 46.722 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.187 47.886 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.061 48.819 4.678 1.00 0.00 H new ATOM 187 N TRP A 14 10.980 43.747 4.000 1.00 0.00 N ATOM 188 CA TRP A 14 10.109 42.601 4.136 1.00 0.00 C ATOM 189 C TRP A 14 10.932 41.368 4.489 1.00 0.00 C ATOM 190 O TRP A 14 10.566 40.597 5.373 1.00 0.00 O ATOM 191 CB TRP A 14 9.372 42.393 2.815 1.00 0.00 C ATOM 192 CG TRP A 14 8.088 41.684 3.062 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.717 40.545 2.448 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.003 42.043 3.966 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.474 40.167 2.922 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.994 41.058 3.860 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.794 43.112 4.859 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.824 41.123 4.615 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.615 43.182 5.619 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.633 42.189 5.499 1.00 0.00 C ATOM 0 H TRP A 14 10.988 44.161 3.068 1.00 0.00 H new ATOM 0 HA TRP A 14 9.385 42.768 4.934 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.181 43.355 2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.991 41.815 2.129 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.295 40.013 1.707 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.974 39.332 2.616 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.544 43.882 4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.071 40.355 4.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.464 44.006 6.300 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.730 42.247 6.089 1.00 0.00 H new ATOM 211 N ASN A 15 12.058 41.206 3.806 1.00 0.00 N ATOM 212 CA ASN A 15 12.944 40.080 4.062 1.00 0.00 C ATOM 213 C ASN A 15 13.332 40.053 5.536 1.00 0.00 C ATOM 214 O ASN A 15 13.336 39.001 6.176 1.00 0.00 O ATOM 215 CB ASN A 15 14.199 40.222 3.201 1.00 0.00 C ATOM 216 CG ASN A 15 13.823 40.179 1.721 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.621 39.808 1.373 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.645 40.497 0.860 1.00 0.00 N flip ATOM 0 H ASN A 15 12.378 41.839 3.073 1.00 0.00 H new ATOM 0 HA ASN A 15 12.433 39.150 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.703 41.161 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.900 39.420 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.584 40.787 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.387 40.471 -0.126 1.00 0.00 H new ATOM 225 N GLN A 16 13.653 41.225 6.068 1.00 0.00 N ATOM 226 CA GLN A 16 14.035 41.332 7.470 1.00 0.00 C ATOM 227 C GLN A 16 12.877 40.845 8.331 1.00 0.00 C ATOM 228 O GLN A 16 13.064 40.142 9.329 1.00 0.00 O ATOM 229 CB GLN A 16 14.364 42.787 7.803 1.00 0.00 C ATOM 230 CG GLN A 16 15.550 43.245 6.951 1.00 0.00 C ATOM 231 CD GLN A 16 15.620 44.767 6.920 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.584 45.380 5.766 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 15.708 45.413 7.965 1.00 0.00 N flip ATOM 0 H GLN A 16 13.657 42.107 5.556 1.00 0.00 H new ATOM 0 HA GLN A 16 14.917 40.722 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.498 43.421 7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.603 42.885 8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.477 42.839 7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.450 42.858 5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.736 44.929 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.753 46.431 7.933 1.00 0.00 H new ATOM 242 N LEU A 17 11.669 41.205 7.914 1.00 0.00 N ATOM 243 CA LEU A 17 10.476 40.781 8.625 1.00 0.00 C ATOM 244 C LEU A 17 10.325 39.264 8.525 1.00 0.00 C ATOM 245 O LEU A 17 9.939 38.605 9.490 1.00 0.00 O ATOM 246 CB LEU A 17 9.243 41.478 8.048 1.00 0.00 C ATOM 247 CG LEU A 17 8.012 41.072 8.856 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.057 41.731 10.233 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.746 41.522 8.125 1.00 0.00 C ATOM 0 H LEU A 17 11.493 41.785 7.093 1.00 0.00 H new ATOM 0 HA LEU A 17 10.570 41.057 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.373 42.560 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.112 41.204 7.001 1.00 0.00 H new ATOM 0 HG LEU A 17 8.004 39.988 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.177 41.438 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.956 41.411 10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.071 42.815 10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.869 41.231 8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.760 42.605 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.706 41.050 7.143 1.00 0.00 H new ATOM 261 N LYS A 18 10.635 38.715 7.350 1.00 0.00 N ATOM 262 CA LYS A 18 10.536 37.275 7.155 1.00 0.00 C ATOM 263 C LYS A 18 11.423 36.566 8.164 1.00 0.00 C ATOM 264 O LYS A 18 11.036 35.557 8.750 1.00 0.00 O ATOM 265 CB LYS A 18 10.984 36.884 5.746 1.00 0.00 C ATOM 266 CG LYS A 18 10.065 37.533 4.715 1.00 0.00 C ATOM 267 CD LYS A 18 10.278 36.870 3.354 1.00 0.00 C ATOM 268 CE LYS A 18 9.418 37.579 2.314 1.00 0.00 C ATOM 269 NZ LYS A 18 8.675 36.566 1.510 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.951 39.238 6.534 1.00 0.00 H new ATOM 0 HA LYS A 18 9.495 36.982 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.014 37.201 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.963 35.800 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.025 37.429 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.273 38.601 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.329 36.922 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.013 35.814 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.717 38.254 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.044 38.188 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.025 37.049 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.350 35.993 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.131 35.949 2.146 1.00 0.00 H new ATOM 283 N GLN A 19 12.619 37.107 8.365 1.00 0.00 N ATOM 284 CA GLN A 19 13.556 36.521 9.308 1.00 0.00 C ATOM 285 C GLN A 19 12.969 36.525 10.713 1.00 0.00 C ATOM 286 O GLN A 19 13.148 35.572 11.469 1.00 0.00 O ATOM 287 CB GLN A 19 14.872 37.306 9.298 1.00 0.00 C ATOM 288 CG GLN A 19 15.539 37.160 7.928 1.00 0.00 C ATOM 289 CD GLN A 19 15.783 35.687 7.622 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.015 34.893 8.533 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.749 35.274 6.385 1.00 0.00 N ATOM 0 H GLN A 19 12.958 37.944 7.891 1.00 0.00 H new ATOM 0 HA GLN A 19 13.749 35.491 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.683 38.358 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.535 36.936 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.906 37.600 7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.483 37.704 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.556 35.934 5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.915 34.291 6.171 1.00 0.00 H new ATOM 300 N ASP A 20 12.260 37.596 11.057 1.00 0.00 N ATOM 301 CA ASP A 20 11.653 37.691 12.379 1.00 0.00 C ATOM 302 C ASP A 20 10.629 36.579 12.595 1.00 0.00 C ATOM 303 O ASP A 20 10.626 35.921 13.633 1.00 0.00 O ATOM 304 CB ASP A 20 10.976 39.047 12.548 1.00 0.00 C ATOM 305 CG ASP A 20 12.031 40.144 12.648 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.112 39.858 13.136 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 11.740 41.257 12.241 1.00 0.00 O ATOM 0 H ASP A 20 12.094 38.398 10.449 1.00 0.00 H new ATOM 0 HA ASP A 20 12.444 37.582 13.121 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.315 39.241 11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.355 39.044 13.444 1.00 0.00 H new ATOM 312 N PHE A 21 9.767 36.364 11.607 1.00 0.00 N ATOM 313 CA PHE A 21 8.760 35.320 11.719 1.00 0.00 C ATOM 314 C PHE A 21 9.433 33.959 11.799 1.00 0.00 C ATOM 315 O PHE A 21 9.111 33.144 12.665 1.00 0.00 O ATOM 316 CB PHE A 21 7.801 35.379 10.527 1.00 0.00 C ATOM 317 CG PHE A 21 6.871 36.557 10.701 1.00 0.00 C ATOM 318 CD1 PHE A 21 6.040 36.631 11.826 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.840 37.575 9.744 1.00 0.00 C ATOM 320 CE1 PHE A 21 5.182 37.726 11.991 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.978 38.668 9.910 1.00 0.00 C ATOM 322 CZ PHE A 21 5.152 38.743 11.035 1.00 0.00 C ATOM 0 H PHE A 21 9.746 36.890 10.734 1.00 0.00 H new ATOM 0 HA PHE A 21 8.183 35.478 12.630 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.362 35.476 9.597 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.228 34.454 10.459 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.061 35.844 12.566 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.480 37.520 8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.543 37.784 12.859 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.952 39.453 9.168 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.491 39.587 11.165 1.00 0.00 H new ATOM 332 N ILE A 22 10.397 33.733 10.915 1.00 0.00 N ATOM 333 CA ILE A 22 11.133 32.478 10.922 1.00 0.00 C ATOM 334 C ILE A 22 11.776 32.291 12.286 1.00 0.00 C ATOM 335 O ILE A 22 11.643 31.243 12.916 1.00 0.00 O ATOM 336 CB ILE A 22 12.217 32.499 9.845 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.565 32.618 8.469 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.032 31.205 9.912 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.640 32.940 7.430 1.00 0.00 C ATOM 0 H ILE A 22 10.684 34.394 10.193 1.00 0.00 H new ATOM 0 HA ILE A 22 10.448 31.655 10.717 1.00 0.00 H new ATOM 0 HB ILE A 22 12.876 33.351 10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.060 31.687 8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.806 33.400 8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.805 31.221 9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.498 31.119 10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.374 30.352 9.747 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.180 33.026 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.125 33.882 7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.382 32.142 7.415 1.00 0.00 H new ATOM 351 N SER A 23 12.484 33.322 12.729 1.00 0.00 N ATOM 352 CA SER A 23 13.154 33.273 14.020 1.00 0.00 C ATOM 353 C SER A 23 12.148 32.975 15.123 1.00 0.00 C ATOM 354 O SER A 23 12.435 32.218 16.047 1.00 0.00 O ATOM 355 CB SER A 23 13.851 34.607 14.300 1.00 0.00 C ATOM 356 OG SER A 23 14.779 34.879 13.259 1.00 0.00 O ATOM 0 H SER A 23 12.608 34.196 12.217 1.00 0.00 H new ATOM 0 HA SER A 23 13.900 32.479 13.997 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.115 35.408 14.365 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.365 34.567 15.260 1.00 0.00 H new ATOM 0 HG SER A 23 14.363 35.469 12.596 1.00 0.00 H new ATOM 362 N GLY A 24 10.958 33.552 15.008 1.00 0.00 N ATOM 363 CA GLY A 24 9.918 33.314 15.998 1.00 0.00 C ATOM 364 C GLY A 24 9.648 31.818 16.113 1.00 0.00 C ATOM 365 O GLY A 24 9.366 31.302 17.196 1.00 0.00 O ATOM 0 H GLY A 24 10.692 34.180 14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.225 33.713 16.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.005 33.837 15.713 1.00 0.00 H new ATOM 369 N ILE A 25 9.742 31.133 14.977 1.00 0.00 N ATOM 370 CA ILE A 25 9.510 29.693 14.928 1.00 0.00 C ATOM 371 C ILE A 25 10.652 28.924 15.592 1.00 0.00 C ATOM 372 O ILE A 25 10.412 27.954 16.311 1.00 0.00 O ATOM 373 CB ILE A 25 9.374 29.243 13.470 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.280 30.055 12.768 1.00 0.00 C ATOM 375 CG2 ILE A 25 9.016 27.758 13.409 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.094 30.263 13.710 1.00 0.00 C ATOM 0 H ILE A 25 9.977 31.552 14.077 1.00 0.00 H new ATOM 0 HA ILE A 25 8.590 29.479 15.472 1.00 0.00 H new ATOM 0 HB ILE A 25 10.327 29.407 12.967 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.678 31.020 12.453 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.952 29.536 11.867 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.922 27.449 12.368 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.800 27.175 13.891 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.070 27.590 13.924 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.322 30.841 13.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.688 29.295 14.003 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.425 30.802 14.598 1.00 0.00 H new ATOM 388 N LEU A 26 11.891 29.354 15.355 1.00 0.00 N ATOM 389 CA LEU A 26 13.041 28.677 15.953 1.00 0.00 C ATOM 390 C LEU A 26 13.178 29.068 17.423 1.00 0.00 C ATOM 391 O LEU A 26 13.672 28.293 18.242 1.00 0.00 O ATOM 392 CB LEU A 26 14.321 29.015 15.173 1.00 0.00 C ATOM 393 CG LEU A 26 15.159 30.043 15.936 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.835 29.371 17.135 1.00 0.00 C ATOM 395 CD2 LEU A 26 16.232 30.611 15.005 1.00 0.00 C ATOM 0 H LEU A 26 12.122 30.153 14.764 1.00 0.00 H new ATOM 0 HA LEU A 26 12.885 27.600 15.900 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.905 28.109 15.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.062 29.407 14.189 1.00 0.00 H new ATOM 0 HG LEU A 26 14.512 30.847 16.289 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.431 30.106 17.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.074 28.961 17.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.482 28.567 16.784 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.831 31.344 15.545 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.875 29.803 14.655 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.755 31.091 14.150 1.00 0.00 H new ATOM 407 N GLU A 27 12.711 30.269 17.750 1.00 0.00 N ATOM 408 CA GLU A 27 12.753 30.751 19.125 1.00 0.00 C ATOM 409 C GLU A 27 11.614 30.141 19.938 1.00 0.00 C ATOM 410 O GLU A 27 11.752 29.897 21.137 1.00 0.00 O ATOM 411 CB GLU A 27 12.644 32.277 19.158 1.00 0.00 C ATOM 412 CG GLU A 27 13.920 32.890 18.580 1.00 0.00 C ATOM 413 CD GLU A 27 15.123 32.456 19.410 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.954 32.261 20.602 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.194 32.319 18.841 1.00 0.00 O1- ATOM 0 H GLU A 27 12.301 30.924 17.084 1.00 0.00 H new ATOM 0 HA GLU A 27 13.705 30.451 19.563 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.778 32.603 18.583 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.494 32.620 20.182 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.049 32.576 17.544 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.843 33.977 18.576 1.00 0.00 H new ATOM 422 N ASN A 28 10.481 29.915 19.274 1.00 0.00 N ATOM 423 CA ASN A 28 9.310 29.354 19.938 1.00 0.00 C ATOM 424 C ASN A 28 9.174 27.857 19.665 1.00 0.00 C ATOM 425 O ASN A 28 9.679 27.337 18.670 1.00 0.00 O ATOM 426 CB ASN A 28 8.046 30.084 19.470 1.00 0.00 C ATOM 427 CG ASN A 28 6.867 29.701 20.358 1.00 0.00 C ATOM 428 OD1 ASN A 28 6.976 28.782 21.172 1.00 0.00 O ATOM 429 ND2 ASN A 28 5.742 30.354 20.254 1.00 0.00 N ATOM 0 H ASN A 28 10.351 30.111 18.282 1.00 0.00 H new ATOM 0 HA ASN A 28 9.437 29.490 21.012 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.204 31.162 19.505 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.830 29.827 18.433 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.951 30.104 20.847 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.654 31.114 19.580 1.00 0.00 H new ATOM 436 N GLU A 29 8.474 27.178 20.565 1.00 0.00 N ATOM 437 CA GLU A 29 8.244 25.743 20.443 1.00 0.00 C ATOM 438 C GLU A 29 7.603 25.415 19.095 1.00 0.00 C ATOM 439 O GLU A 29 7.656 24.277 18.628 1.00 0.00 O ATOM 440 CB GLU A 29 7.317 25.288 21.569 1.00 0.00 C ATOM 441 CG GLU A 29 7.274 23.759 21.634 1.00 0.00 C ATOM 442 CD GLU A 29 8.595 23.223 22.179 1.00 0.00 C ATOM 443 OE1 GLU A 29 9.515 24.010 22.331 1.00 0.00 O ATOM 444 OE2 GLU A 29 8.663 22.034 22.447 1.00 0.00 O1- ATOM 0 H GLU A 29 8.053 27.601 21.392 1.00 0.00 H new ATOM 0 HA GLU A 29 9.200 25.224 20.511 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.665 25.690 22.521 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.314 25.681 21.405 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.451 23.437 22.271 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.088 23.350 20.641 1.00 0.00 H new ATOM 451 N GLN A 30 6.980 26.420 18.489 1.00 0.00 N ATOM 452 CA GLN A 30 6.308 26.234 17.204 1.00 0.00 C ATOM 453 C GLN A 30 7.208 25.506 16.208 1.00 0.00 C ATOM 454 O GLN A 30 6.753 25.078 15.146 1.00 0.00 O ATOM 455 CB GLN A 30 5.897 27.587 16.620 1.00 0.00 C ATOM 456 CG GLN A 30 4.800 28.211 17.491 1.00 0.00 C ATOM 457 CD GLN A 30 4.301 29.511 16.866 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.361 30.123 17.374 1.00 0.00 O ATOM 459 NE2 GLN A 30 4.876 29.974 15.791 1.00 0.00 N ATOM 0 H GLN A 30 6.925 27.367 18.863 1.00 0.00 H new ATOM 0 HA GLN A 30 5.421 25.626 17.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.760 28.251 16.573 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.537 27.460 15.599 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.972 27.511 17.601 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.187 28.406 18.491 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.655 29.467 15.370 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.547 30.843 15.371 1.00 0.00 H new ATOM 468 N LYS A 31 8.481 25.367 16.553 1.00 0.00 N ATOM 469 CA LYS A 31 9.425 24.681 15.678 1.00 0.00 C ATOM 470 C LYS A 31 8.934 23.270 15.378 1.00 0.00 C ATOM 471 O LYS A 31 9.151 22.739 14.292 1.00 0.00 O ATOM 472 CB LYS A 31 10.797 24.600 16.351 1.00 0.00 C ATOM 473 CG LYS A 31 10.730 23.622 17.531 1.00 0.00 C ATOM 474 CD LYS A 31 12.060 23.640 18.287 1.00 0.00 C ATOM 475 CE LYS A 31 12.170 22.387 19.161 1.00 0.00 C ATOM 476 NZ LYS A 31 12.280 21.187 18.285 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.882 25.716 17.424 1.00 0.00 H new ATOM 0 HA LYS A 31 9.505 25.243 14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.547 24.269 15.633 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.102 25.587 16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.916 23.899 18.200 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.518 22.615 17.171 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.890 23.678 17.582 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.126 24.535 18.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.042 22.458 19.812 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.296 22.302 19.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.893 20.480 18.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.335 20.780 18.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.689 21.462 17.369 1.00 0.00 H new ATOM 490 N ASP A 32 8.285 22.663 16.358 1.00 0.00 N ATOM 491 CA ASP A 32 7.782 21.309 16.199 1.00 0.00 C ATOM 492 C ASP A 32 6.743 21.228 15.081 1.00 0.00 C ATOM 493 O ASP A 32 6.758 20.296 14.273 1.00 0.00 O ATOM 494 CB ASP A 32 7.162 20.844 17.516 1.00 0.00 C ATOM 495 CG ASP A 32 8.221 20.848 18.615 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.381 20.646 18.295 1.00 0.00 O ATOM 497 OD2 ASP A 32 7.856 21.061 19.759 1.00 0.00 O1- ATOM 0 H ASP A 32 8.095 23.084 17.267 1.00 0.00 H new ATOM 0 HA ASP A 32 8.616 20.661 15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.336 21.500 17.792 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.748 19.842 17.400 1.00 0.00 H new ATOM 502 N LEU A 33 5.842 22.204 15.032 1.00 0.00 N ATOM 503 CA LEU A 33 4.808 22.212 14.002 1.00 0.00 C ATOM 504 C LEU A 33 5.411 22.429 12.612 1.00 0.00 C ATOM 505 O LEU A 33 4.950 21.844 11.625 1.00 0.00 O ATOM 506 CB LEU A 33 3.772 23.304 14.296 1.00 0.00 C ATOM 507 CG LEU A 33 2.957 22.916 15.534 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.585 23.532 16.785 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.525 23.428 15.379 1.00 0.00 C ATOM 0 H LEU A 33 5.806 22.989 15.683 1.00 0.00 H new ATOM 0 HA LEU A 33 4.318 21.238 14.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.271 24.259 14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.111 23.434 13.439 1.00 0.00 H new ATOM 0 HG LEU A 33 2.951 21.831 15.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.000 23.252 17.661 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.606 23.166 16.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.597 24.618 16.689 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.943 23.153 16.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.536 24.513 15.276 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.074 22.983 14.492 1.00 0.00 H new ATOM 521 N VAL A 34 6.441 23.269 12.528 1.00 0.00 N ATOM 522 CA VAL A 34 7.074 23.537 11.240 1.00 0.00 C ATOM 523 C VAL A 34 7.733 22.270 10.706 1.00 0.00 C ATOM 524 O VAL A 34 7.708 22.002 9.504 1.00 0.00 O ATOM 525 CB VAL A 34 8.122 24.662 11.375 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.526 24.059 11.505 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.093 25.579 10.139 1.00 0.00 C ATOM 0 H VAL A 34 6.848 23.767 13.320 1.00 0.00 H new ATOM 0 HA VAL A 34 6.306 23.861 10.538 1.00 0.00 H new ATOM 0 HB VAL A 34 7.882 25.243 12.265 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.259 24.860 11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.568 23.422 12.389 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.750 23.465 10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.839 26.366 10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.316 24.994 9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.104 26.027 10.042 1.00 0.00 H new ATOM 537 N ALA A 35 8.324 21.494 11.608 1.00 0.00 N ATOM 538 CA ALA A 35 8.984 20.260 11.209 1.00 0.00 C ATOM 539 C ALA A 35 7.966 19.291 10.633 1.00 0.00 C ATOM 540 O ALA A 35 8.237 18.606 9.646 1.00 0.00 O ATOM 541 CB ALA A 35 9.680 19.615 12.406 1.00 0.00 C ATOM 0 H ALA A 35 8.359 21.695 12.607 1.00 0.00 H new ATOM 0 HA ALA A 35 9.730 20.497 10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.168 18.693 12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.426 20.302 12.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.943 19.389 13.177 1.00 0.00 H new ATOM 689 N ASN A 45 12.411 27.041 7.794 1.00 0.00 N ATOM 690 CA ASN A 45 10.991 26.903 8.086 1.00 0.00 C ATOM 691 C ASN A 45 10.127 27.092 6.842 1.00 0.00 C ATOM 692 O ASN A 45 9.289 27.993 6.793 1.00 0.00 O ATOM 693 CB ASN A 45 10.584 27.916 9.155 1.00 0.00 C ATOM 694 CG ASN A 45 11.403 27.683 10.420 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.045 26.843 11.249 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.493 28.373 10.617 1.00 0.00 N ATOM 0 HA ASN A 45 10.827 25.889 8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.743 28.930 8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.521 27.820 9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.050 28.218 11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.788 29.067 9.931 1.00 0.00 H new ATOM 703 N GLN A 46 10.343 26.247 5.835 1.00 0.00 N ATOM 704 CA GLN A 46 9.579 26.335 4.590 1.00 0.00 C ATOM 705 C GLN A 46 9.523 27.776 4.111 1.00 0.00 C ATOM 706 O GLN A 46 8.467 28.403 4.074 1.00 0.00 O ATOM 707 CB GLN A 46 8.167 25.755 4.758 1.00 0.00 C ATOM 708 CG GLN A 46 7.399 26.462 5.882 1.00 0.00 C ATOM 709 CD GLN A 46 6.006 25.870 5.989 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.022 26.422 5.342 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.813 24.871 6.678 1.00 0.00 N flip ATOM 0 H GLN A 46 11.036 25.498 5.855 1.00 0.00 H new ATOM 0 HA GLN A 46 10.088 25.737 3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.618 25.855 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.234 24.689 4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.929 26.347 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.337 27.531 5.679 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.588 24.442 7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.877 24.470 6.745 1.00 0.00 H new ATOM 720 N LEU A 47 10.691 28.287 3.752 1.00 0.00 N ATOM 721 CA LEU A 47 10.807 29.657 3.283 1.00 0.00 C ATOM 722 C LEU A 47 9.847 29.945 2.129 1.00 0.00 C ATOM 723 O LEU A 47 9.162 30.967 2.129 1.00 0.00 O ATOM 724 CB LEU A 47 12.243 29.937 2.832 1.00 0.00 C ATOM 725 CG LEU A 47 13.110 30.289 4.041 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.585 30.087 3.685 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.875 31.754 4.412 1.00 0.00 C ATOM 0 H LEU A 47 11.571 27.772 3.777 1.00 0.00 H new ATOM 0 HA LEU A 47 10.544 30.311 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.650 29.063 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.254 30.757 2.114 1.00 0.00 H new ATOM 0 HG LEU A 47 12.848 29.647 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.205 30.338 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.753 29.046 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.849 30.733 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.490 32.014 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.144 32.390 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.824 31.903 4.658 1.00 0.00 H new ATOM 739 N ASP A 48 9.813 29.060 1.136 1.00 0.00 N ATOM 740 CA ASP A 48 8.948 29.275 -0.023 1.00 0.00 C ATOM 741 C ASP A 48 7.481 29.396 0.387 1.00 0.00 C ATOM 742 O ASP A 48 6.787 30.314 -0.052 1.00 0.00 O ATOM 743 CB ASP A 48 9.104 28.119 -1.016 1.00 0.00 C ATOM 744 CG ASP A 48 8.459 28.489 -2.349 1.00 0.00 C ATOM 745 OD1 ASP A 48 7.551 29.302 -2.340 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.889 27.956 -3.361 1.00 0.00 O1- ATOM 0 H ASP A 48 10.363 28.202 1.108 1.00 0.00 H new ATOM 0 HA ASP A 48 9.251 30.211 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.160 27.894 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.640 27.218 -0.615 1.00 0.00 H new ATOM 751 N LEU A 49 7.011 28.480 1.230 1.00 0.00 N ATOM 752 CA LEU A 49 5.623 28.515 1.679 1.00 0.00 C ATOM 753 C LEU A 49 5.385 29.710 2.602 1.00 0.00 C ATOM 754 O LEU A 49 4.366 30.393 2.499 1.00 0.00 O ATOM 755 CB LEU A 49 5.278 27.215 2.410 1.00 0.00 C ATOM 756 CG LEU A 49 5.524 26.020 1.484 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.050 24.736 2.169 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.747 26.213 0.178 1.00 0.00 C ATOM 0 H LEU A 49 7.564 27.713 1.612 1.00 0.00 H new ATOM 0 HA LEU A 49 4.979 28.618 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.885 27.121 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.236 27.232 2.729 1.00 0.00 H new ATOM 0 HG LEU A 49 6.590 25.947 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.225 23.886 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.602 24.594 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.985 24.812 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.923 25.362 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.682 26.288 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.082 27.126 -0.313 1.00 0.00 H new ATOM 770 N LEU A 50 6.327 29.947 3.509 1.00 0.00 N ATOM 771 CA LEU A 50 6.202 31.055 4.449 1.00 0.00 C ATOM 772 C LEU A 50 6.097 32.376 3.690 1.00 0.00 C ATOM 773 O LEU A 50 5.267 33.225 4.017 1.00 0.00 O ATOM 774 CB LEU A 50 7.429 31.092 5.366 1.00 0.00 C ATOM 775 CG LEU A 50 7.033 31.514 6.784 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.295 31.885 7.561 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.101 32.726 6.735 1.00 0.00 C ATOM 0 H LEU A 50 7.177 29.393 3.613 1.00 0.00 H new ATOM 0 HA LEU A 50 5.302 30.913 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.900 30.109 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.167 31.788 4.967 1.00 0.00 H new ATOM 0 HG LEU A 50 6.516 30.688 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.024 32.187 8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.961 31.023 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.802 32.710 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.827 33.016 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.610 33.556 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.201 32.471 6.175 1.00 0.00 H new ATOM 789 N HIS A 51 6.941 32.547 2.675 1.00 0.00 N ATOM 790 CA HIS A 51 6.925 33.769 1.885 1.00 0.00 C ATOM 791 C HIS A 51 5.565 33.979 1.241 1.00 0.00 C ATOM 792 O HIS A 51 4.998 35.067 1.322 1.00 0.00 O ATOM 793 CB HIS A 51 7.983 33.696 0.789 1.00 0.00 C ATOM 794 CG HIS A 51 9.350 33.860 1.389 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.359 34.565 0.751 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.889 33.414 2.567 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.445 34.522 1.544 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.213 33.832 2.664 1.00 0.00 N ATOM 0 H HIS A 51 7.637 31.860 2.385 1.00 0.00 H new ATOM 0 HA HIS A 51 7.137 34.604 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.916 32.740 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.806 34.475 0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.291 35.031 -0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.366 32.827 3.308 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.389 34.988 1.304 1.00 0.00 H new ATOM 807 N LYS A 52 5.047 32.933 0.597 1.00 0.00 N ATOM 808 CA LYS A 52 3.751 33.035 -0.057 1.00 0.00 C ATOM 809 C LYS A 52 2.688 33.386 0.973 1.00 0.00 C ATOM 810 O LYS A 52 1.870 34.279 0.758 1.00 0.00 O ATOM 811 CB LYS A 52 3.404 31.713 -0.756 1.00 0.00 C ATOM 812 CG LYS A 52 4.416 31.465 -1.879 1.00 0.00 C ATOM 813 CD LYS A 52 3.968 30.284 -2.745 1.00 0.00 C ATOM 814 CE LYS A 52 2.813 30.718 -3.650 1.00 0.00 C ATOM 815 NZ LYS A 52 1.527 30.251 -3.066 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.499 32.022 0.517 1.00 0.00 H new ATOM 0 HA LYS A 52 3.789 33.822 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.426 30.891 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.393 31.755 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.514 32.360 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.399 31.261 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.802 29.927 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.655 29.454 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.805 31.803 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.944 30.303 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.167 29.446 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.680 29.954 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.833 31.025 -3.090 1.00 0.00 H new ATOM 829 N TRP A 53 2.724 32.694 2.103 1.00 0.00 N ATOM 830 CA TRP A 53 1.776 32.940 3.181 1.00 0.00 C ATOM 831 C TRP A 53 1.849 34.396 3.641 1.00 0.00 C ATOM 832 O TRP A 53 0.852 35.120 3.639 1.00 0.00 O ATOM 833 CB TRP A 53 2.142 32.025 4.353 1.00 0.00 C ATOM 834 CG TRP A 53 1.016 31.931 5.333 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.039 31.000 5.298 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.746 32.760 6.503 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.812 31.198 6.371 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.420 32.272 7.140 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.389 33.875 7.067 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.926 32.867 8.294 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.880 34.477 8.230 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.277 33.972 8.842 1.00 0.00 C ATOM 0 H TRP A 53 3.401 31.956 2.297 1.00 0.00 H new ATOM 0 HA TRP A 53 0.764 32.739 2.829 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.388 31.031 3.980 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.032 32.407 4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.062 30.225 4.552 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.629 30.620 6.568 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.280 34.272 6.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.817 32.474 8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.382 35.333 8.655 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.664 34.439 9.736 1.00 0.00 H new ATOM 853 N LEU A 54 3.041 34.804 4.054 1.00 0.00 N ATOM 854 CA LEU A 54 3.245 36.159 4.545 1.00 0.00 C ATOM 855 C LEU A 54 2.829 37.191 3.499 1.00 0.00 C ATOM 856 O LEU A 54 2.070 38.114 3.798 1.00 0.00 O ATOM 857 CB LEU A 54 4.715 36.370 4.896 1.00 0.00 C ATOM 858 CG LEU A 54 4.847 37.587 5.811 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.504 37.186 7.253 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.286 38.105 5.752 1.00 0.00 C ATOM 0 H LEU A 54 3.877 34.220 4.059 1.00 0.00 H new ATOM 0 HA LEU A 54 2.627 36.290 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.113 35.484 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.300 36.518 3.988 1.00 0.00 H new ATOM 0 HG LEU A 54 4.162 38.369 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.599 38.055 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.481 36.812 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.189 36.406 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.387 38.974 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.968 37.322 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.529 38.389 4.728 1.00 0.00 H new ATOM 872 N ASP A 55 3.332 37.036 2.278 1.00 0.00 N ATOM 873 CA ASP A 55 3.009 37.971 1.206 1.00 0.00 C ATOM 874 C ASP A 55 1.501 38.079 1.014 1.00 0.00 C ATOM 875 O ASP A 55 0.966 39.170 0.817 1.00 0.00 O ATOM 876 CB ASP A 55 3.653 37.505 -0.098 1.00 0.00 C ATOM 877 CG ASP A 55 5.172 37.572 0.018 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.646 38.133 0.992 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.839 37.063 -0.867 1.00 0.00 O1- ATOM 0 H ASP A 55 3.960 36.279 2.008 1.00 0.00 H new ATOM 0 HA ASP A 55 3.397 38.952 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.342 36.485 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.315 38.131 -0.924 1.00 0.00 H new ATOM 884 N ARG A 56 0.822 36.941 1.069 1.00 0.00 N ATOM 885 CA ARG A 56 -0.624 36.909 0.900 1.00 0.00 C ATOM 886 C ARG A 56 -1.327 37.708 1.995 1.00 0.00 C ATOM 887 O ARG A 56 -2.395 38.276 1.770 1.00 0.00 O ATOM 888 CB ARG A 56 -1.118 35.462 0.926 1.00 0.00 C ATOM 889 CG ARG A 56 -2.614 35.434 0.616 1.00 0.00 C ATOM 890 CD ARG A 56 -3.110 33.989 0.616 1.00 0.00 C ATOM 891 NE ARG A 56 -4.483 33.929 0.134 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.275 32.905 0.439 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.827 31.924 1.177 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.503 32.879 0.000 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.249 36.029 1.229 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.861 37.363 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.572 34.866 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.929 35.019 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.160 36.017 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.803 35.894 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.468 33.376 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.052 33.577 1.623 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.843 34.685 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.867 31.942 1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.437 31.140 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.855 33.643 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.111 32.094 0.233 1.00 0.00 H new ATOM 908 N HIS A 57 -0.728 37.743 3.180 1.00 0.00 N ATOM 909 CA HIS A 57 -1.322 38.470 4.301 1.00 0.00 C ATOM 910 C HIS A 57 -0.436 39.631 4.757 1.00 0.00 C ATOM 911 O HIS A 57 -0.585 40.131 5.871 1.00 0.00 O ATOM 912 CB HIS A 57 -1.561 37.507 5.465 1.00 0.00 C ATOM 913 CG HIS A 57 -2.514 36.425 5.028 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.841 36.690 4.718 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.351 35.074 4.847 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.417 35.523 4.371 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.553 34.506 4.434 1.00 0.00 N ATOM 0 H HIS A 57 0.158 37.283 3.390 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.270 38.891 3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.617 37.068 5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.971 38.046 6.319 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.429 34.533 5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.451 35.422 4.078 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.735 33.524 4.225 1.00 0.00 H new ATOM 926 N ARG A 58 0.482 40.061 3.895 1.00 0.00 N ATOM 927 CA ARG A 58 1.379 41.165 4.228 1.00 0.00 C ATOM 928 C ARG A 58 0.605 42.417 4.648 1.00 0.00 C ATOM 929 O ARG A 58 1.057 43.172 5.507 1.00 0.00 O ATOM 930 CB ARG A 58 2.284 41.485 3.035 1.00 0.00 C ATOM 931 CG ARG A 58 1.450 41.924 1.831 1.00 0.00 C ATOM 932 CD ARG A 58 2.345 41.921 0.594 1.00 0.00 C ATOM 933 NE ARG A 58 3.535 42.733 0.840 1.00 0.00 N ATOM 934 CZ ARG A 58 4.706 42.436 0.283 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.808 41.422 -0.534 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.758 43.164 0.551 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.624 39.665 2.966 1.00 0.00 H new ATOM 0 HA ARG A 58 1.990 40.852 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.986 42.274 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.875 40.607 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.606 41.250 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.038 42.919 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.635 40.900 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.797 42.313 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 58 3.466 43.546 1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.988 40.854 -0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.708 41.198 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.680 43.958 1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.657 42.938 0.125 1.00 0.00 H new ATOM 950 N ASP A 59 -0.553 42.632 4.035 1.00 0.00 N ATOM 951 CA ASP A 59 -1.377 43.802 4.348 1.00 0.00 C ATOM 952 C ASP A 59 -1.697 43.867 5.844 1.00 0.00 C ATOM 953 O ASP A 59 -1.941 44.942 6.389 1.00 0.00 O ATOM 954 CB ASP A 59 -2.679 43.749 3.545 1.00 0.00 C ATOM 955 CG ASP A 59 -3.490 45.021 3.772 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.225 45.709 4.744 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.367 45.291 2.966 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.944 42.017 3.321 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.815 44.696 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.456 43.636 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.263 42.878 3.843 1.00 0.00 H new ATOM 962 N MET A 60 -1.695 42.710 6.496 1.00 0.00 N ATOM 963 CA MET A 60 -1.988 42.637 7.924 1.00 0.00 C ATOM 964 C MET A 60 -0.986 43.452 8.744 1.00 0.00 C ATOM 965 O MET A 60 -1.336 44.017 9.784 1.00 0.00 O ATOM 966 CB MET A 60 -1.955 41.181 8.384 1.00 0.00 C ATOM 967 CG MET A 60 -0.504 40.702 8.479 1.00 0.00 C ATOM 968 SD MET A 60 -0.434 38.917 8.192 1.00 0.00 S ATOM 969 CE MET A 60 1.369 38.772 8.151 1.00 0.00 C ATOM 0 H MET A 60 -1.494 41.810 6.060 1.00 0.00 H new ATOM 0 HA MET A 60 -2.981 43.057 8.084 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.444 41.085 9.353 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.509 40.556 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.110 41.223 7.745 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.096 40.939 9.462 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.659 37.758 8.425 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.729 38.993 7.146 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.807 39.478 8.857 1.00 0.00 H new ATOM 979 N CYS A 61 0.258 43.517 8.273 1.00 0.00 N ATOM 980 CA CYS A 61 1.291 44.266 8.987 1.00 0.00 C ATOM 981 C CYS A 61 0.884 45.724 9.115 1.00 0.00 C ATOM 982 O CYS A 61 1.237 46.399 10.085 1.00 0.00 O ATOM 983 CB CYS A 61 2.615 44.180 8.230 1.00 0.00 C ATOM 984 SG CYS A 61 2.541 45.253 6.774 1.00 0.00 S ATOM 0 H CYS A 61 0.573 43.068 7.413 1.00 0.00 H new ATOM 0 HA CYS A 61 1.410 43.834 9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.438 44.482 8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.809 43.151 7.928 1.00 0.00 H new ATOM 0 HG CYS A 61 1.883 44.654 5.826 1.00 0.00 H new ATOM 990 N GLU A 62 0.125 46.191 8.133 1.00 0.00 N ATOM 991 CA GLU A 62 -0.349 47.565 8.121 1.00 0.00 C ATOM 992 C GLU A 62 -1.479 47.744 9.131 1.00 0.00 C ATOM 993 O GLU A 62 -1.860 48.868 9.457 1.00 0.00 O ATOM 994 CB GLU A 62 -0.849 47.914 6.718 1.00 0.00 C ATOM 995 CG GLU A 62 0.310 47.783 5.727 1.00 0.00 C ATOM 996 CD GLU A 62 -0.154 48.146 4.322 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.353 48.227 4.115 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 0.699 48.332 3.471 1.00 0.00 O ATOM 0 H GLU A 62 -0.176 45.635 7.332 1.00 0.00 H new ATOM 0 HA GLU A 62 0.471 48.229 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.664 47.249 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.245 48.929 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.130 48.436 6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.694 46.763 5.739 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.015 46.627 9.619 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.105 46.666 10.586 1.00 0.00 C ATOM 1007 C LYS A 63 -2.576 46.793 12.014 1.00 0.00 C ATOM 1008 O LYS A 63 -2.866 47.766 12.709 1.00 0.00 O ATOM 1009 CB LYS A 63 -3.928 45.380 10.495 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.567 45.250 9.112 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.415 43.979 9.076 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.962 43.762 7.667 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.160 42.881 7.737 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.712 45.688 9.361 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.720 47.535 10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.290 44.518 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.703 45.382 11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.185 46.122 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.796 45.211 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.814 43.121 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.237 44.059 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.225 44.718 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.199 43.309 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.536 42.730 6.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.894 41.966 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.888 43.331 8.328 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.812 45.791 12.448 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.266 45.795 13.808 1.00 0.00 C ATOM 1029 C TRP A 64 0.008 46.633 13.908 1.00 0.00 C ATOM 1030 O TRP A 64 0.159 47.425 14.837 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.963 44.367 14.277 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.388 43.378 13.242 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.832 43.248 12.019 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.436 42.373 13.325 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.468 42.219 11.346 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.466 41.649 12.110 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.353 42.022 14.330 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.377 40.611 11.902 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.270 40.980 14.122 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.280 40.276 12.910 1.00 0.00 C ATOM 0 H TRP A 64 -1.559 44.977 11.888 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.026 46.240 14.450 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.104 44.261 14.474 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.482 44.168 15.215 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.023 43.848 11.629 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.228 41.919 10.401 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.352 42.557 15.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.382 40.071 10.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.972 40.719 14.900 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.987 39.474 12.757 1.00 0.00 H new ATOM 1051 N LYS A 65 0.924 46.434 12.957 1.00 0.00 N ATOM 1052 CA LYS A 65 2.198 47.152 12.949 1.00 0.00 C ATOM 1053 C LYS A 65 3.083 46.741 14.132 1.00 0.00 C ATOM 1054 O LYS A 65 4.279 47.025 14.139 1.00 0.00 O ATOM 1055 CB LYS A 65 1.968 48.665 12.976 1.00 0.00 C ATOM 1056 CG LYS A 65 1.294 49.102 11.673 1.00 0.00 C ATOM 1057 CD LYS A 65 1.060 50.614 11.700 1.00 0.00 C ATOM 1058 CE LYS A 65 2.361 51.340 11.352 1.00 0.00 C ATOM 1059 NZ LYS A 65 2.196 52.050 10.051 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.806 45.781 12.183 1.00 0.00 H new ATOM 0 HA LYS A 65 2.714 46.886 12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.344 48.934 13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.918 49.186 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.919 48.835 10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.346 48.579 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.279 50.884 10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.713 50.921 12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.616 52.051 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.183 50.627 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.079 52.545 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.972 51.361 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.422 52.740 10.128 1.00 0.00 H new ATOM 1073 N SER A 66 2.499 46.068 15.127 1.00 0.00 N ATOM 1074 CA SER A 66 3.272 45.628 16.294 1.00 0.00 C ATOM 1075 C SER A 66 3.804 44.208 16.088 1.00 0.00 C ATOM 1076 O SER A 66 3.097 43.334 15.594 1.00 0.00 O ATOM 1077 CB SER A 66 2.404 45.686 17.549 1.00 0.00 C ATOM 1078 OG SER A 66 1.203 44.967 17.322 1.00 0.00 O ATOM 0 H SER A 66 1.510 45.819 15.150 1.00 0.00 H new ATOM 0 HA SER A 66 4.122 46.299 16.417 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.941 45.261 18.397 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.179 46.722 17.802 1.00 0.00 H new ATOM 0 HG SER A 66 0.481 45.360 17.856 1.00 0.00 H new ATOM 1084 N LYS A 67 5.066 43.999 16.448 1.00 0.00 N ATOM 1085 CA LYS A 67 5.710 42.697 16.268 1.00 0.00 C ATOM 1086 C LYS A 67 5.104 41.589 17.129 1.00 0.00 C ATOM 1087 O LYS A 67 4.704 40.546 16.614 1.00 0.00 O ATOM 1088 CB LYS A 67 7.193 42.819 16.609 1.00 0.00 C ATOM 1089 CG LYS A 67 7.894 41.496 16.299 1.00 0.00 C ATOM 1090 CD LYS A 67 9.373 41.596 16.693 1.00 0.00 C ATOM 1091 CE LYS A 67 10.167 40.458 16.036 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.015 39.783 17.058 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.665 44.711 16.866 1.00 0.00 H new ATOM 0 HA LYS A 67 5.555 42.417 15.226 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.645 43.627 16.033 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.316 43.071 17.662 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.416 40.682 16.844 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.804 41.265 15.238 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.777 42.560 16.382 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.474 41.543 17.777 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.484 39.739 15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.791 40.853 15.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.552 39.013 16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.676 40.472 17.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.410 39.393 17.808 1.00 0.00 H new ATOM 1106 N GLU A 68 5.071 41.803 18.436 1.00 0.00 N ATOM 1107 CA GLU A 68 4.550 40.789 19.348 1.00 0.00 C ATOM 1108 C GLU A 68 3.094 40.454 19.045 1.00 0.00 C ATOM 1109 O GLU A 68 2.679 39.302 19.168 1.00 0.00 O ATOM 1110 CB GLU A 68 4.667 41.279 20.790 1.00 0.00 C ATOM 1111 CG GLU A 68 4.265 40.149 21.741 1.00 0.00 C ATOM 1112 CD GLU A 68 4.259 40.647 23.182 1.00 0.00 C ATOM 1113 OE1 GLU A 68 4.580 41.804 23.391 1.00 0.00 O ATOM 1114 OE2 GLU A 68 3.929 39.861 24.057 1.00 0.00 O1- ATOM 0 H GLU A 68 5.394 42.659 18.887 1.00 0.00 H new ATOM 0 HA GLU A 68 5.143 39.885 19.211 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.689 41.598 20.996 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.025 42.146 20.945 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.277 39.774 21.474 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.960 39.315 21.640 1.00 0.00 H new ATOM 1121 N ASP A 69 2.323 41.457 18.651 1.00 0.00 N ATOM 1122 CA ASP A 69 0.914 41.232 18.342 1.00 0.00 C ATOM 1123 C ASP A 69 0.768 40.317 17.140 1.00 0.00 C ATOM 1124 O ASP A 69 0.033 39.333 17.181 1.00 0.00 O ATOM 1125 CB ASP A 69 0.220 42.559 18.045 1.00 0.00 C ATOM 1126 CG ASP A 69 -1.290 42.352 18.007 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.716 41.222 18.167 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.998 43.328 17.816 1.00 0.00 O ATOM 0 H ASP A 69 2.640 42.420 18.538 1.00 0.00 H new ATOM 0 HA ASP A 69 0.450 40.762 19.209 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.477 43.294 18.808 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.566 42.956 17.091 1.00 0.00 H new ATOM 1133 N ILE A 70 1.463 40.652 16.065 1.00 0.00 N ATOM 1134 CA ILE A 70 1.386 39.852 14.857 1.00 0.00 C ATOM 1135 C ILE A 70 1.827 38.422 15.135 1.00 0.00 C ATOM 1136 O ILE A 70 1.193 37.473 14.678 1.00 0.00 O ATOM 1137 CB ILE A 70 2.259 40.455 13.763 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.843 41.904 13.520 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.064 39.660 12.470 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.028 42.674 12.937 1.00 0.00 C ATOM 0 H ILE A 70 2.079 41.463 16.005 1.00 0.00 H new ATOM 0 HA ILE A 70 0.349 39.843 14.520 1.00 0.00 H new ATOM 0 HB ILE A 70 3.304 40.419 14.071 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.996 41.942 12.835 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.519 42.364 14.454 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.686 40.087 11.683 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.350 38.621 12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.017 39.705 12.169 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.738 43.710 12.761 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.862 42.645 13.639 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.331 42.217 11.995 1.00 0.00 H new ATOM 1152 N LEU A 71 2.913 38.266 15.888 1.00 0.00 N ATOM 1153 CA LEU A 71 3.411 36.938 16.210 1.00 0.00 C ATOM 1154 C LEU A 71 2.329 36.107 16.880 1.00 0.00 C ATOM 1155 O LEU A 71 2.186 34.917 16.601 1.00 0.00 O ATOM 1156 CB LEU A 71 4.615 37.051 17.145 1.00 0.00 C ATOM 1157 CG LEU A 71 5.797 37.674 16.399 1.00 0.00 C ATOM 1158 CD1 LEU A 71 6.939 37.940 17.379 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.283 36.711 15.319 1.00 0.00 C ATOM 0 H LEU A 71 3.457 39.034 16.281 1.00 0.00 H new ATOM 0 HA LEU A 71 3.708 36.447 15.283 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.358 37.661 18.011 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.889 36.065 17.520 1.00 0.00 H new ATOM 0 HG LEU A 71 5.479 38.611 15.942 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.780 38.384 16.846 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.600 38.625 18.156 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.253 37.001 17.835 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.125 37.155 14.788 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.598 35.775 15.781 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.474 36.514 14.616 1.00 0.00 H new ATOM 1171 N HIS A 72 1.574 36.738 17.770 1.00 0.00 N ATOM 1172 CA HIS A 72 0.509 36.042 18.477 1.00 0.00 C ATOM 1173 C HIS A 72 -0.542 35.529 17.501 1.00 0.00 C ATOM 1174 O HIS A 72 -0.987 34.384 17.595 1.00 0.00 O ATOM 1175 CB HIS A 72 -0.152 36.983 19.485 1.00 0.00 C ATOM 1176 CG HIS A 72 -1.322 36.287 20.123 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -2.483 36.962 20.464 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.528 34.978 20.484 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -3.330 36.065 21.002 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.798 34.841 21.039 1.00 0.00 N ATOM 0 H HIS A 72 1.678 37.722 18.017 1.00 0.00 H new ATOM 0 HA HIS A 72 0.947 35.193 19.001 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.568 37.281 20.247 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.484 37.894 18.986 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.814 34.177 20.357 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.320 36.306 21.360 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.229 33.989 21.397 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.941 36.385 16.567 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.952 36.010 15.582 1.00 0.00 C ATOM 1191 C LYS A 73 -1.468 34.839 14.730 1.00 0.00 C ATOM 1192 O LYS A 73 -2.173 33.842 14.573 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.264 37.210 14.693 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.602 38.420 15.570 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.850 38.141 16.414 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.966 37.594 15.524 1.00 0.00 C ATOM 1197 NZ LYS A 73 -6.285 37.876 16.160 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.584 37.336 16.470 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.856 35.699 16.106 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.409 37.436 14.056 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.101 36.980 14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.759 38.650 16.222 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.769 39.296 14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.615 37.424 17.201 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.180 39.056 16.905 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.919 38.055 14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.840 36.521 15.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.047 37.505 15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.326 37.417 17.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.403 38.903 16.275 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.265 34.961 14.179 1.00 0.00 N ATOM 1212 CA LEU A 74 0.288 33.889 13.350 1.00 0.00 C ATOM 1213 C LEU A 74 0.379 32.595 14.141 1.00 0.00 C ATOM 1214 O LEU A 74 0.111 31.521 13.612 1.00 0.00 O ATOM 1215 CB LEU A 74 1.678 34.257 12.826 1.00 0.00 C ATOM 1216 CG LEU A 74 1.557 35.121 11.569 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.510 36.216 11.768 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.907 35.769 11.272 1.00 0.00 C ATOM 0 H LEU A 74 0.339 35.776 14.287 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.384 33.751 12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.233 34.795 13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.241 33.351 12.601 1.00 0.00 H new ATOM 0 HG LEU A 74 1.251 34.487 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.439 36.820 10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.458 35.760 11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.801 36.850 12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.826 36.386 10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.205 36.391 12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.655 34.993 11.111 1.00 0.00 H new ATOM 1230 N ASN A 75 0.750 32.695 15.410 1.00 0.00 N ATOM 1231 CA ASN A 75 0.851 31.503 16.236 1.00 0.00 C ATOM 1232 C ASN A 75 -0.480 30.765 16.205 1.00 0.00 C ATOM 1233 O ASN A 75 -0.531 29.551 16.004 1.00 0.00 O ATOM 1234 CB ASN A 75 1.187 31.889 17.678 1.00 0.00 C ATOM 1235 CG ASN A 75 2.537 32.595 17.736 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.357 32.448 16.830 1.00 0.00 O ATOM 1237 ND2 ASN A 75 2.819 33.360 18.757 1.00 0.00 N ATOM 0 H ASN A 75 0.981 33.570 15.881 1.00 0.00 H new ATOM 0 HA ASN A 75 1.642 30.861 15.849 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.410 32.541 18.077 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.208 30.998 18.305 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.720 33.836 18.804 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.138 33.481 19.507 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.557 31.519 16.395 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.897 30.950 16.384 1.00 0.00 C ATOM 1246 C GLU A 76 -3.280 30.501 14.976 1.00 0.00 C ATOM 1247 O GLU A 76 -3.892 29.449 14.794 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.897 31.998 16.873 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.537 32.411 18.298 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.599 33.357 18.844 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.739 34.435 18.294 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -5.257 32.989 19.804 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.527 32.525 16.558 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.914 30.082 17.044 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.882 32.867 16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.909 31.594 16.844 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.461 31.529 18.934 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.562 32.898 18.310 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.925 31.308 13.983 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.254 30.990 12.596 1.00 0.00 C ATOM 1261 C GLN A 77 -2.458 29.778 12.121 1.00 0.00 C ATOM 1262 O GLN A 77 -3.000 28.876 11.481 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.941 32.196 11.708 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.132 32.489 10.795 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.193 33.261 11.570 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -6.313 32.675 11.888 1.00 0.00 O flip ATOM 1267 NE2 GLN A 77 -4.994 34.433 11.899 1.00 0.00 N flip ATOM 0 H GLN A 77 -2.413 32.181 14.109 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.316 30.754 12.531 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.721 33.067 12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.052 31.998 11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.806 33.067 9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.551 31.557 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.117 34.891 11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.706 34.944 12.420 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.174 29.759 12.450 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.310 28.650 12.067 1.00 0.00 C ATOM 1278 C TRP A 78 -0.856 27.338 12.625 1.00 0.00 C ATOM 1279 O TRP A 78 -0.878 26.321 11.932 1.00 0.00 O ATOM 1280 CB TRP A 78 1.104 28.893 12.598 1.00 0.00 C ATOM 1281 CG TRP A 78 2.107 28.187 11.736 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.074 26.873 11.411 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.293 28.735 11.089 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.168 26.580 10.613 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.949 27.695 10.388 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.858 30.022 11.048 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.128 27.923 9.671 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.043 30.255 10.330 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.679 29.208 9.644 1.00 0.00 C ATOM 0 H TRP A 78 -0.708 30.496 12.979 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.281 28.582 10.979 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.316 29.962 12.615 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.181 28.537 13.625 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.318 26.168 11.723 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.371 25.654 10.238 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.378 30.836 11.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.609 27.113 9.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.468 31.248 10.306 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.591 29.395 9.097 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.309 27.371 13.879 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.863 26.180 14.511 1.00 0.00 C ATOM 1302 C ASN A 79 -3.180 25.802 13.844 1.00 0.00 C ATOM 1303 O ASN A 79 -3.543 24.628 13.771 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.082 26.423 16.009 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.739 26.585 16.716 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.310 26.344 16.119 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.707 26.975 17.963 1.00 0.00 N ATOM 0 H ASN A 79 -1.302 28.202 14.470 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.156 25.359 14.392 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.689 27.316 16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.632 25.589 16.444 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.188 27.080 18.442 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.577 27.175 18.457 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.887 26.814 13.356 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.162 26.602 12.689 1.00 0.00 C ATOM 1316 C LYS A 80 -4.947 26.441 11.185 1.00 0.00 C ATOM 1317 O LYS A 80 -5.878 26.133 10.441 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.076 27.800 12.954 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.486 27.502 12.441 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.372 28.738 12.610 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.105 29.724 11.468 1.00 0.00 C ATOM 1322 NZ LYS A 80 -8.249 31.120 11.968 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.597 27.790 13.411 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.625 25.695 13.078 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.106 28.016 14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.680 28.687 12.460 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.447 27.212 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.912 26.661 12.988 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.422 28.447 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.170 29.214 13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.102 29.571 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.803 29.546 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.964 31.620 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.547 31.103 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.337 31.613 11.888 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.709 26.662 10.748 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.362 26.556 9.332 1.00 0.00 C ATOM 1338 C ASP A 81 -4.073 27.637 8.523 1.00 0.00 C ATOM 1339 O ASP A 81 -4.603 27.312 7.474 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.731 25.173 8.782 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.785 24.117 9.342 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.874 24.490 10.063 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -2.987 22.951 9.044 1.00 0.00 O ATOM 1344 OXT ASP A 81 -4.074 28.775 8.964 1.00 0.00 O ATOM 0 H ASP A 81 -2.929 26.916 11.354 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.285 26.694 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.759 24.929 9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.677 25.180 7.693 1.00 0.00 H new