USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 543 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 44 ASN : amide:sc= -4.49! C(o=-7.2!,f=-19!) USER MOD Set 1.2: A 56 MET CE :methyl 140:sc= -2.68! (180deg=-4.59!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -145:sc= -2.52! (180deg=-3.67!) USER MOD Set 2.2: A 21 TYR OH : rot -106:sc= 0.0167 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.0517 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.844 (180deg=-1.29) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.0017) USER MOD Single : A 28 MET CE :methyl -106:sc= -0.212 (180deg=-1.49) USER MOD Single : A 33 TYR OH : rot 90:sc= -1.23 USER MOD Single : A 36 SER OG : rot -115:sc= 0.0851 USER MOD Single : A 37 LYS NZ :NH3+ -126:sc= -0.636! (180deg=-0.923) USER MOD Single : A 43 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 60 HIS : no HD1:sc= -3.73! K(o=-3.7!,f=-2.4) USER MOD Single : A 65 THR OG1 : rot 179:sc= -15.7! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -4.902 9.814 7.161 1.00 0.00 N ATOM 95 CA ASP A 7 -5.761 10.087 6.010 1.00 0.00 C ATOM 96 C ASP A 7 -5.632 11.548 5.561 1.00 0.00 C ATOM 97 O ASP A 7 -5.968 11.891 4.428 1.00 0.00 O ATOM 98 CB ASP A 7 -7.219 9.774 6.352 1.00 0.00 C ATOM 99 CG ASP A 7 -7.698 10.520 7.581 1.00 0.00 C ATOM 100 OD1 ASP A 7 -7.056 10.387 8.645 1.00 0.00 O ATOM 101 OD2 ASP A 7 -8.716 11.237 7.482 1.00 0.00 O ATOM 0 HA ASP A 7 -5.440 9.446 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.852 10.033 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.329 8.702 6.516 1.00 0.00 H new ATOM 106 N GLU A 8 -5.165 12.402 6.471 1.00 0.00 N ATOM 107 CA GLU A 8 -5.008 13.831 6.206 1.00 0.00 C ATOM 108 C GLU A 8 -4.225 14.103 4.924 1.00 0.00 C ATOM 109 O GLU A 8 -4.712 14.780 4.020 1.00 0.00 O ATOM 110 CB GLU A 8 -4.267 14.478 7.375 1.00 0.00 C ATOM 111 CG GLU A 8 -4.911 14.212 8.727 1.00 0.00 C ATOM 112 CD GLU A 8 -5.358 15.482 9.423 1.00 0.00 C ATOM 113 OE1 GLU A 8 -6.486 15.943 9.149 1.00 0.00 O ATOM 114 OE2 GLU A 8 -4.581 16.016 10.242 1.00 0.00 O ATOM 0 H GLU A 8 -4.885 12.123 7.411 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.006 14.252 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.241 14.110 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.217 15.554 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.770 13.555 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.202 13.684 9.365 1.00 0.00 H new ATOM 121 N GLU A 9 -3.008 13.596 4.852 1.00 0.00 N ATOM 122 CA GLU A 9 -2.177 13.813 3.679 1.00 0.00 C ATOM 123 C GLU A 9 -2.752 13.098 2.460 1.00 0.00 C ATOM 124 O GLU A 9 -2.526 13.512 1.323 1.00 0.00 O ATOM 125 CB GLU A 9 -0.749 13.331 3.942 1.00 0.00 C ATOM 126 CG GLU A 9 -0.030 14.122 5.023 1.00 0.00 C ATOM 127 CD GLU A 9 1.306 14.666 4.559 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.311 15.623 3.756 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.348 14.135 4.998 1.00 0.00 O ATOM 0 H GLU A 9 -2.574 13.035 5.585 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.160 14.883 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.776 12.280 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.177 13.393 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.663 14.949 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.125 13.483 5.893 1.00 0.00 H new ATOM 136 N TRP A 10 -3.480 12.012 2.702 1.00 0.00 N ATOM 137 CA TRP A 10 -4.065 11.231 1.619 1.00 0.00 C ATOM 138 C TRP A 10 -5.407 11.774 1.123 1.00 0.00 C ATOM 139 O TRP A 10 -5.806 11.478 -0.003 1.00 0.00 O ATOM 140 CB TRP A 10 -4.220 9.762 2.001 1.00 0.00 C ATOM 141 CG TRP A 10 -4.422 8.904 0.796 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.608 8.450 0.313 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.411 8.418 -0.093 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.407 7.726 -0.833 1.00 0.00 N ATOM 145 CE2 TRP A 10 -4.064 7.681 -1.099 1.00 0.00 C ATOM 146 CE3 TRP A 10 -2.019 8.535 -0.139 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.372 7.066 -2.139 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.334 7.922 -1.170 1.00 0.00 C ATOM 149 CH2 TRP A 10 -2.010 7.195 -2.158 1.00 0.00 C ATOM 0 H TRP A 10 -3.678 11.654 3.636 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.355 11.320 0.796 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.334 9.430 2.542 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -5.067 9.648 2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.571 8.633 0.767 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.138 7.291 -1.396 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.489 9.094 0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.892 6.507 -2.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.258 8.005 -1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.445 6.727 -2.951 1.00 0.00 H new ATOM 160 N VAL A 11 -6.116 12.550 1.942 1.00 0.00 N ATOM 161 CA VAL A 11 -7.398 13.078 1.523 1.00 0.00 C ATOM 162 C VAL A 11 -7.172 14.058 0.412 1.00 0.00 C ATOM 163 O VAL A 11 -7.910 14.085 -0.572 1.00 0.00 O ATOM 164 CB VAL A 11 -8.186 13.760 2.667 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.274 14.591 3.550 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.299 14.624 2.095 1.00 0.00 C ATOM 0 H VAL A 11 -5.825 12.819 2.882 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.006 12.236 1.192 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.625 12.977 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.860 15.056 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.511 13.949 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.795 15.366 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.846 15.099 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.869 15.391 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.980 14.002 1.514 1.00 0.00 H new ATOM 176 N GLU A 12 -6.130 14.852 0.562 1.00 0.00 N ATOM 177 CA GLU A 12 -5.811 15.809 -0.455 1.00 0.00 C ATOM 178 C GLU A 12 -5.527 15.064 -1.754 1.00 0.00 C ATOM 179 O GLU A 12 -5.784 15.552 -2.854 1.00 0.00 O ATOM 180 CB GLU A 12 -4.612 16.669 -0.046 1.00 0.00 C ATOM 181 CG GLU A 12 -4.879 18.164 -0.128 1.00 0.00 C ATOM 182 CD GLU A 12 -4.821 18.843 1.225 1.00 0.00 C ATOM 183 OE1 GLU A 12 -3.701 19.112 1.707 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.896 19.105 1.805 1.00 0.00 O ATOM 0 H GLU A 12 -5.505 14.848 1.368 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.656 16.483 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.325 16.415 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.765 16.424 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.147 18.624 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.861 18.330 -0.571 1.00 0.00 H new ATOM 191 N TYR A 13 -5.003 13.855 -1.582 1.00 0.00 N ATOM 192 CA TYR A 13 -4.672 12.964 -2.690 1.00 0.00 C ATOM 193 C TYR A 13 -5.920 12.305 -3.277 1.00 0.00 C ATOM 194 O TYR A 13 -6.098 12.254 -4.493 1.00 0.00 O ATOM 195 CB TYR A 13 -3.694 11.890 -2.214 1.00 0.00 C ATOM 196 CG TYR A 13 -2.245 12.318 -2.280 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.840 13.548 -1.774 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.282 11.494 -2.848 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.518 13.943 -1.833 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.043 11.883 -2.910 1.00 0.00 C ATOM 201 CZ TYR A 13 0.420 13.108 -2.401 1.00 0.00 C ATOM 202 OH TYR A 13 1.738 13.499 -2.461 1.00 0.00 O ATOM 0 H TYR A 13 -4.794 13.463 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.210 13.563 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.937 11.618 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.828 10.994 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.571 14.205 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.573 10.534 -3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.220 14.902 -1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.780 11.231 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 13 1.939 14.088 -1.704 1.00 0.00 H new ATOM 212 N LYS A 14 -6.763 11.775 -2.394 1.00 0.00 N ATOM 213 CA LYS A 14 -7.983 11.077 -2.793 1.00 0.00 C ATOM 214 C LYS A 14 -8.818 11.885 -3.788 1.00 0.00 C ATOM 215 O LYS A 14 -9.529 11.314 -4.614 1.00 0.00 O ATOM 216 CB LYS A 14 -8.827 10.769 -1.551 1.00 0.00 C ATOM 217 CG LYS A 14 -8.266 9.642 -0.692 1.00 0.00 C ATOM 218 CD LYS A 14 -8.722 9.740 0.761 1.00 0.00 C ATOM 219 CE LYS A 14 -10.222 9.965 0.875 1.00 0.00 C ATOM 220 NZ LYS A 14 -10.561 11.408 1.028 1.00 0.00 N ATOM 0 H LYS A 14 -6.621 11.817 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.683 10.154 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.907 11.671 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.837 10.506 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.579 8.683 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.177 9.666 -0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.452 8.825 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.195 10.558 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.716 9.569 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.608 9.410 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.508 11.499 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.861 11.865 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.551 11.868 0.095 1.00 0.00 H new ATOM 234 N SER A 15 -8.718 13.206 -3.723 1.00 0.00 N ATOM 235 CA SER A 15 -9.443 14.065 -4.629 1.00 0.00 C ATOM 236 C SER A 15 -8.803 14.001 -5.990 1.00 0.00 C ATOM 237 O SER A 15 -9.472 13.901 -7.019 1.00 0.00 O ATOM 238 CB SER A 15 -9.430 15.504 -4.121 1.00 0.00 C ATOM 239 OG SER A 15 -9.794 15.567 -2.752 1.00 0.00 O ATOM 0 H SER A 15 -8.137 13.701 -3.046 1.00 0.00 H new ATOM 0 HA SER A 15 -10.478 13.727 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.436 15.931 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.119 16.107 -4.712 1.00 0.00 H new ATOM 0 HG SER A 15 -9.776 16.500 -2.451 1.00 0.00 H new ATOM 245 N LYS A 16 -7.481 14.086 -5.973 1.00 0.00 N ATOM 246 CA LYS A 16 -6.712 14.070 -7.190 1.00 0.00 C ATOM 247 C LYS A 16 -6.447 12.652 -7.691 1.00 0.00 C ATOM 248 O LYS A 16 -5.920 12.463 -8.787 1.00 0.00 O ATOM 249 CB LYS A 16 -5.391 14.816 -6.991 1.00 0.00 C ATOM 250 CG LYS A 16 -4.659 15.119 -8.287 1.00 0.00 C ATOM 251 CD LYS A 16 -3.245 15.613 -8.028 1.00 0.00 C ATOM 252 CE LYS A 16 -3.147 17.123 -8.176 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.919 17.530 -9.590 1.00 0.00 N ATOM 0 H LYS A 16 -6.925 14.167 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.304 14.576 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.588 15.752 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.742 14.222 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.624 14.221 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.211 15.872 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.936 15.324 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.557 15.133 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.064 17.584 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.333 17.496 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.858 18.567 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.031 17.112 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.709 17.196 -10.179 1.00 0.00 H new ATOM 267 N PHE A 17 -6.793 11.658 -6.884 1.00 0.00 N ATOM 268 CA PHE A 17 -6.564 10.265 -7.259 1.00 0.00 C ATOM 269 C PHE A 17 -7.798 9.623 -7.895 1.00 0.00 C ATOM 270 O PHE A 17 -7.710 8.540 -8.471 1.00 0.00 O ATOM 271 CB PHE A 17 -6.119 9.460 -6.039 1.00 0.00 C ATOM 272 CG PHE A 17 -4.627 9.400 -5.882 1.00 0.00 C ATOM 273 CD1 PHE A 17 -3.890 10.560 -5.699 1.00 0.00 C ATOM 274 CD2 PHE A 17 -3.961 8.188 -5.922 1.00 0.00 C ATOM 275 CE1 PHE A 17 -2.516 10.509 -5.560 1.00 0.00 C ATOM 276 CE2 PHE A 17 -2.588 8.131 -5.785 1.00 0.00 C ATOM 277 CZ PHE A 17 -1.864 9.294 -5.603 1.00 0.00 C ATOM 0 H PHE A 17 -7.230 11.786 -5.971 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.774 10.257 -8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.555 9.901 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.511 8.446 -6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.395 11.514 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.522 7.276 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.953 11.420 -5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.080 7.178 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.790 9.252 -5.495 1.00 0.00 H new ATOM 287 N ASP A 18 -8.947 10.287 -7.791 1.00 0.00 N ATOM 288 CA ASP A 18 -10.190 9.764 -8.365 1.00 0.00 C ATOM 289 C ASP A 18 -10.706 8.552 -7.581 1.00 0.00 C ATOM 290 O ASP A 18 -11.671 7.906 -7.987 1.00 0.00 O ATOM 291 CB ASP A 18 -9.984 9.386 -9.834 1.00 0.00 C ATOM 292 CG ASP A 18 -11.084 9.923 -10.729 1.00 0.00 C ATOM 293 OD1 ASP A 18 -11.148 11.157 -10.914 1.00 0.00 O ATOM 294 OD2 ASP A 18 -11.880 9.111 -11.245 1.00 0.00 O ATOM 0 H ASP A 18 -9.046 11.185 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.939 10.553 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.023 9.771 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.943 8.301 -9.925 1.00 0.00 H new ATOM 299 N LYS A 19 -10.070 8.266 -6.449 1.00 0.00 N ATOM 300 CA LYS A 19 -10.468 7.155 -5.592 1.00 0.00 C ATOM 301 C LYS A 19 -10.286 7.566 -4.139 1.00 0.00 C ATOM 302 O LYS A 19 -9.186 7.489 -3.592 1.00 0.00 O ATOM 303 CB LYS A 19 -9.646 5.902 -5.902 1.00 0.00 C ATOM 304 CG LYS A 19 -8.149 6.154 -5.983 1.00 0.00 C ATOM 305 CD LYS A 19 -7.361 4.908 -5.612 1.00 0.00 C ATOM 306 CE LYS A 19 -5.902 5.234 -5.339 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.167 4.063 -4.785 1.00 0.00 N ATOM 0 H LYS A 19 -9.269 8.794 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.515 6.915 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.838 5.154 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.986 5.481 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.884 6.468 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.878 6.971 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.803 4.446 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.427 4.180 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.423 5.559 -6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.841 6.066 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.458 4.391 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.838 3.425 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.692 3.554 -5.558 1.00 0.00 H new ATOM 321 N ASN A 20 -11.360 8.055 -3.537 1.00 0.00 N ATOM 322 CA ASN A 20 -11.305 8.542 -2.167 1.00 0.00 C ATOM 323 C ASN A 20 -11.761 7.519 -1.132 1.00 0.00 C ATOM 324 O ASN A 20 -12.892 7.035 -1.169 1.00 0.00 O ATOM 325 CB ASN A 20 -12.156 9.809 -2.037 1.00 0.00 C ATOM 326 CG ASN A 20 -13.543 9.638 -2.624 1.00 0.00 C ATOM 327 OD1 ASN A 20 -14.327 8.808 -2.163 1.00 0.00 O ATOM 328 ND2 ASN A 20 -13.853 10.424 -3.649 1.00 0.00 N ATOM 0 H ASN A 20 -12.279 8.125 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.256 8.752 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.241 10.080 -0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.652 10.635 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.772 10.353 -4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.172 11.098 -3.999 1.00 0.00 H new ATOM 335 N TYR A 21 -10.880 7.252 -0.170 1.00 0.00 N ATOM 336 CA TYR A 21 -11.188 6.351 0.931 1.00 0.00 C ATOM 337 C TYR A 21 -10.743 7.007 2.241 1.00 0.00 C ATOM 338 O TYR A 21 -9.536 7.249 2.471 1.00 0.00 O ATOM 339 CB TYR A 21 -10.540 4.981 0.733 1.00 0.00 C ATOM 340 CG TYR A 21 -9.154 5.031 0.161 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.075 5.184 0.998 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.919 4.911 -1.204 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.797 5.216 0.512 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.630 4.942 -1.705 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.571 5.094 -0.833 1.00 0.00 C ATOM 346 OH TYR A 21 -5.278 5.137 -1.301 1.00 0.00 O ATOM 0 H TYR A 21 -9.942 7.651 -0.134 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.263 6.176 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.506 4.466 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.171 4.385 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.239 5.281 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.752 4.792 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.965 5.338 1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.454 4.848 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.116 6.000 -1.735 1.00 0.00 H new ATOM 356 N GLU A 22 -11.764 7.334 3.049 1.00 0.00 N ATOM 357 CA GLU A 22 -11.630 8.036 4.331 1.00 0.00 C ATOM 358 C GLU A 22 -11.102 7.186 5.484 1.00 0.00 C ATOM 359 O GLU A 22 -10.799 6.004 5.334 1.00 0.00 O ATOM 360 CB GLU A 22 -12.981 8.640 4.724 1.00 0.00 C ATOM 361 CG GLU A 22 -13.020 10.156 4.627 1.00 0.00 C ATOM 362 CD GLU A 22 -14.294 10.667 3.983 1.00 0.00 C ATOM 363 OE1 GLU A 22 -15.383 10.416 4.540 1.00 0.00 O ATOM 364 OE2 GLU A 22 -14.201 11.319 2.922 1.00 0.00 O ATOM 0 H GLU A 22 -12.732 7.110 2.820 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.876 8.805 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.757 8.223 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.219 8.343 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.926 10.583 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.162 10.502 4.050 1.00 0.00 H new ATOM 371 N ALA A 23 -10.981 7.854 6.637 1.00 0.00 N ATOM 372 CA ALA A 23 -10.470 7.267 7.876 1.00 0.00 C ATOM 373 C ALA A 23 -10.990 5.857 8.150 1.00 0.00 C ATOM 374 O ALA A 23 -10.231 5.006 8.614 1.00 0.00 O ATOM 375 CB ALA A 23 -10.810 8.175 9.047 1.00 0.00 C ATOM 0 H ALA A 23 -11.241 8.836 6.734 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.390 7.178 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.429 7.737 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.353 9.153 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.892 8.287 9.118 1.00 0.00 H new ATOM 381 N GLU A 24 -12.272 5.596 7.893 1.00 0.00 N ATOM 382 CA GLU A 24 -12.815 4.264 8.162 1.00 0.00 C ATOM 383 C GLU A 24 -11.950 3.196 7.498 1.00 0.00 C ATOM 384 O GLU A 24 -11.400 2.322 8.170 1.00 0.00 O ATOM 385 CB GLU A 24 -14.254 4.163 7.653 1.00 0.00 C ATOM 386 CG GLU A 24 -15.248 4.974 8.469 1.00 0.00 C ATOM 387 CD GLU A 24 -16.098 4.110 9.379 1.00 0.00 C ATOM 388 OE1 GLU A 24 -16.812 3.226 8.860 1.00 0.00 O ATOM 389 OE2 GLU A 24 -16.052 4.317 10.610 1.00 0.00 O ATOM 0 H GLU A 24 -12.938 6.267 7.510 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.812 4.100 9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.288 4.499 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.560 3.117 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.708 5.706 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.897 5.532 7.794 1.00 0.00 H new ATOM 396 N GLU A 25 -11.787 3.309 6.186 1.00 0.00 N ATOM 397 CA GLU A 25 -10.933 2.394 5.439 1.00 0.00 C ATOM 398 C GLU A 25 -9.471 2.754 5.679 1.00 0.00 C ATOM 399 O GLU A 25 -8.600 1.891 5.788 1.00 0.00 O ATOM 400 CB GLU A 25 -11.258 2.457 3.943 1.00 0.00 C ATOM 401 CG GLU A 25 -11.741 1.135 3.370 1.00 0.00 C ATOM 402 CD GLU A 25 -11.718 1.112 1.854 1.00 0.00 C ATOM 403 OE1 GLU A 25 -11.904 2.184 1.241 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.515 0.023 1.280 1.00 0.00 O ATOM 0 H GLU A 25 -12.236 4.026 5.616 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.114 1.376 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.022 3.216 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.369 2.776 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.115 0.328 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.756 0.942 3.717 1.00 0.00 H new ATOM 411 N ASP A 26 -9.233 4.062 5.732 1.00 0.00 N ATOM 412 CA ASP A 26 -7.904 4.632 5.924 1.00 0.00 C ATOM 413 C ASP A 26 -7.207 4.126 7.177 1.00 0.00 C ATOM 414 O ASP A 26 -5.987 4.059 7.217 1.00 0.00 O ATOM 415 CB ASP A 26 -8.011 6.145 6.023 1.00 0.00 C ATOM 416 CG ASP A 26 -7.962 6.834 4.676 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.345 6.277 3.747 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.534 7.938 4.555 1.00 0.00 O ATOM 0 H ASP A 26 -9.968 4.764 5.642 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.310 4.323 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.944 6.405 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.199 6.521 6.646 1.00 0.00 H new ATOM 423 N LEU A 27 -7.971 3.815 8.214 1.00 0.00 N ATOM 424 CA LEU A 27 -7.386 3.372 9.473 1.00 0.00 C ATOM 425 C LEU A 27 -6.343 2.280 9.255 1.00 0.00 C ATOM 426 O LEU A 27 -5.175 2.429 9.642 1.00 0.00 O ATOM 427 CB LEU A 27 -8.505 2.875 10.373 1.00 0.00 C ATOM 428 CG LEU A 27 -8.287 3.130 11.859 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.542 3.707 12.498 1.00 0.00 C ATOM 430 CD2 LEU A 27 -7.862 1.852 12.567 1.00 0.00 C ATOM 0 H LEU A 27 -8.990 3.860 8.210 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.871 4.210 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.437 3.352 10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.630 1.804 10.217 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.486 3.861 11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.363 3.881 13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.796 4.650 12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.367 3.004 12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.712 2.056 13.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.638 1.096 12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.931 1.487 12.132 1.00 0.00 H new ATOM 442 N MET A 28 -6.738 1.216 8.576 1.00 0.00 N ATOM 443 CA MET A 28 -5.802 0.148 8.260 1.00 0.00 C ATOM 444 C MET A 28 -4.764 0.697 7.291 1.00 0.00 C ATOM 445 O MET A 28 -3.606 0.267 7.263 1.00 0.00 O ATOM 446 CB MET A 28 -6.530 -1.049 7.643 1.00 0.00 C ATOM 447 CG MET A 28 -7.425 -0.681 6.470 1.00 0.00 C ATOM 448 SD MET A 28 -8.137 -2.126 5.661 1.00 0.00 S ATOM 449 CE MET A 28 -9.809 -1.558 5.363 1.00 0.00 C ATOM 0 H MET A 28 -7.688 1.068 8.236 1.00 0.00 H new ATOM 0 HA MET A 28 -5.317 -0.199 9.172 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.793 -1.780 7.311 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.133 -1.532 8.412 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.228 -0.033 6.820 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.848 -0.110 5.743 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.489 -2.046 6.061 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.857 -0.478 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.100 -1.803 4.342 1.00 0.00 H new ATOM 459 N ARG A 29 -5.200 1.677 6.510 1.00 0.00 N ATOM 460 CA ARG A 29 -4.343 2.329 5.545 1.00 0.00 C ATOM 461 C ARG A 29 -3.354 3.255 6.241 1.00 0.00 C ATOM 462 O ARG A 29 -2.280 3.536 5.718 1.00 0.00 O ATOM 463 CB ARG A 29 -5.178 3.133 4.572 1.00 0.00 C ATOM 464 CG ARG A 29 -5.787 2.320 3.433 1.00 0.00 C ATOM 465 CD ARG A 29 -7.181 2.808 3.062 1.00 0.00 C ATOM 466 NE ARG A 29 -7.567 2.359 1.724 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.359 1.313 1.480 1.00 0.00 C ATOM 468 NH1 ARG A 29 -8.973 0.683 2.476 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.537 0.894 0.234 1.00 0.00 N ATOM 0 H ARG A 29 -6.154 2.037 6.532 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.789 1.560 5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.982 3.622 5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.557 3.921 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.138 2.379 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.836 1.271 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.902 2.441 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.210 3.897 3.104 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.207 2.880 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.841 0.998 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.576 -0.116 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.069 1.371 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.142 0.095 0.046 1.00 0.00 H new ATOM 483 N ARG A 30 -3.717 3.730 7.432 1.00 0.00 N ATOM 484 CA ARG A 30 -2.842 4.616 8.186 1.00 0.00 C ATOM 485 C ARG A 30 -1.471 3.974 8.273 1.00 0.00 C ATOM 486 O ARG A 30 -0.441 4.643 8.201 1.00 0.00 O ATOM 487 CB ARG A 30 -3.394 4.855 9.595 1.00 0.00 C ATOM 488 CG ARG A 30 -4.726 5.586 9.620 1.00 0.00 C ATOM 489 CD ARG A 30 -4.543 7.088 9.495 1.00 0.00 C ATOM 490 NE ARG A 30 -5.764 7.818 9.827 1.00 0.00 N ATOM 491 CZ ARG A 30 -6.160 8.072 11.072 1.00 0.00 C ATOM 492 NH1 ARG A 30 -5.439 7.653 12.105 1.00 0.00 N ATOM 493 NH2 ARG A 30 -7.282 8.748 11.286 1.00 0.00 N ATOM 0 H ARG A 30 -4.603 3.517 7.889 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.779 5.580 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.509 3.894 10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.665 5.429 10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.354 5.227 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.249 5.359 10.549 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.737 7.411 10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.240 7.333 8.477 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.347 8.153 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.576 7.133 11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.748 7.851 13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.840 9.073 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.586 8.943 12.240 1.00 0.00 H new ATOM 507 N ARG A 31 -1.484 2.652 8.407 1.00 0.00 N ATOM 508 CA ARG A 31 -0.257 1.875 8.478 1.00 0.00 C ATOM 509 C ARG A 31 0.447 1.818 7.120 1.00 0.00 C ATOM 510 O ARG A 31 1.686 1.812 7.051 1.00 0.00 O ATOM 511 CB ARG A 31 -0.557 0.455 8.965 1.00 0.00 C ATOM 512 CG ARG A 31 -1.460 0.402 10.187 1.00 0.00 C ATOM 513 CD ARG A 31 -0.725 0.845 11.441 1.00 0.00 C ATOM 514 NE ARG A 31 0.155 -0.200 11.957 1.00 0.00 N ATOM 515 CZ ARG A 31 -0.268 -1.245 12.663 1.00 0.00 C ATOM 516 NH1 ARG A 31 -1.557 -1.387 12.943 1.00 0.00 N ATOM 517 NH2 ARG A 31 0.600 -2.151 13.090 1.00 0.00 N ATOM 0 H ARG A 31 -2.337 2.096 8.469 1.00 0.00 H new ATOM 0 HA ARG A 31 0.408 2.369 9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.024 -0.105 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.383 -0.045 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.328 1.042 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.833 -0.613 10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.139 1.737 11.221 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.449 1.120 12.208 1.00 0.00 H new ATOM 0 HE ARG A 31 1.154 -0.124 11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.229 -0.693 12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.876 -2.190 13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.592 -2.047 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.276 -2.952 13.631 1.00 0.00 H new ATOM 531 N ILE A 32 -0.327 1.807 6.028 1.00 0.00 N ATOM 532 CA ILE A 32 0.277 1.765 4.706 1.00 0.00 C ATOM 533 C ILE A 32 0.713 3.146 4.324 1.00 0.00 C ATOM 534 O ILE A 32 1.717 3.339 3.657 1.00 0.00 O ATOM 535 CB ILE A 32 -0.649 1.126 3.651 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.447 1.746 2.298 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.085 1.188 4.048 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.943 1.584 1.804 1.00 0.00 C ATOM 0 H ILE A 32 -1.347 1.826 6.038 1.00 0.00 H new ATOM 0 HA ILE A 32 1.152 1.117 4.742 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.373 0.073 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.138 1.293 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.691 2.807 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.697 0.726 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.226 0.655 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.383 2.229 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.037 2.049 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.634 2.061 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.180 0.523 1.727 1.00 0.00 H new ATOM 550 N TYR A 33 -0.034 4.111 4.763 1.00 0.00 N ATOM 551 CA TYR A 33 0.319 5.466 4.476 1.00 0.00 C ATOM 552 C TYR A 33 1.698 5.808 5.043 1.00 0.00 C ATOM 553 O TYR A 33 2.443 6.602 4.461 1.00 0.00 O ATOM 554 CB TYR A 33 -0.707 6.465 4.994 1.00 0.00 C ATOM 555 CG TYR A 33 -0.676 7.754 4.206 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.207 7.903 3.142 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.523 8.808 4.508 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.240 9.058 2.399 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.496 9.973 3.767 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.617 10.093 2.708 1.00 0.00 C ATOM 561 OH TYR A 33 -0.584 11.254 1.971 1.00 0.00 O ATOM 0 H TYR A 33 -0.883 3.988 5.315 1.00 0.00 H new ATOM 0 HA TYR A 33 0.342 5.548 3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.703 6.027 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.512 6.676 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.880 7.095 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.213 8.717 5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.934 9.155 1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.160 10.788 4.015 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.206 11.181 1.217 1.00 0.00 H new ATOM 571 N ALA A 34 2.030 5.212 6.188 1.00 0.00 N ATOM 572 CA ALA A 34 3.312 5.470 6.837 1.00 0.00 C ATOM 573 C ALA A 34 4.478 5.224 5.900 1.00 0.00 C ATOM 574 O ALA A 34 5.354 6.074 5.735 1.00 0.00 O ATOM 575 CB ALA A 34 3.452 4.630 8.096 1.00 0.00 C ATOM 0 H ALA A 34 1.431 4.551 6.682 1.00 0.00 H new ATOM 0 HA ALA A 34 3.332 6.524 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.414 4.836 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.649 4.878 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.394 3.573 7.836 1.00 0.00 H new ATOM 581 N GLU A 35 4.469 4.070 5.275 1.00 0.00 N ATOM 582 CA GLU A 35 5.516 3.709 4.323 1.00 0.00 C ATOM 583 C GLU A 35 5.582 4.704 3.166 1.00 0.00 C ATOM 584 O GLU A 35 6.637 4.894 2.566 1.00 0.00 O ATOM 585 CB GLU A 35 5.269 2.321 3.766 1.00 0.00 C ATOM 586 CG GLU A 35 3.810 2.067 3.485 1.00 0.00 C ATOM 587 CD GLU A 35 3.308 0.828 4.201 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.243 0.850 5.448 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.992 -0.168 3.518 1.00 0.00 O ATOM 0 H GLU A 35 3.750 3.357 5.403 1.00 0.00 H new ATOM 0 HA GLU A 35 6.465 3.728 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.841 2.194 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.635 1.578 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.223 2.931 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.661 1.952 2.411 1.00 0.00 H new ATOM 596 N SER A 36 4.439 5.302 2.827 1.00 0.00 N ATOM 597 CA SER A 36 4.366 6.229 1.696 1.00 0.00 C ATOM 598 C SER A 36 5.481 7.260 1.748 1.00 0.00 C ATOM 599 O SER A 36 6.241 7.396 0.790 1.00 0.00 O ATOM 600 CB SER A 36 3.013 6.940 1.679 1.00 0.00 C ATOM 601 OG SER A 36 3.001 8.044 2.569 1.00 0.00 O ATOM 0 H SER A 36 3.555 5.162 3.316 1.00 0.00 H new ATOM 0 HA SER A 36 4.482 5.644 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.792 7.282 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.227 6.238 1.956 1.00 0.00 H new ATOM 0 HG SER A 36 2.354 7.879 3.286 1.00 0.00 H new ATOM 607 N LYS A 37 5.609 7.971 2.857 1.00 0.00 N ATOM 608 CA LYS A 37 6.682 8.954 2.969 1.00 0.00 C ATOM 609 C LYS A 37 8.025 8.247 2.841 1.00 0.00 C ATOM 610 O LYS A 37 8.943 8.749 2.192 1.00 0.00 O ATOM 611 CB LYS A 37 6.630 9.717 4.286 1.00 0.00 C ATOM 612 CG LYS A 37 5.244 9.806 4.911 1.00 0.00 C ATOM 613 CD LYS A 37 4.199 10.279 3.906 1.00 0.00 C ATOM 614 CE LYS A 37 4.026 11.789 3.945 1.00 0.00 C ATOM 615 NZ LYS A 37 2.782 12.223 3.249 1.00 0.00 N ATOM 0 H LYS A 37 5.003 7.893 3.674 1.00 0.00 H new ATOM 0 HA LYS A 37 6.554 9.680 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.304 9.238 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.006 10.727 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.958 8.829 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.270 10.492 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.494 9.972 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.245 9.798 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.998 12.125 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.888 12.266 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.017 12.937 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.337 11.403 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.122 12.632 3.941 1.00 0.00 H new ATOM 629 N ALA A 38 8.122 7.056 3.437 1.00 0.00 N ATOM 630 CA ALA A 38 9.344 6.263 3.353 1.00 0.00 C ATOM 631 C ALA A 38 9.749 6.117 1.900 1.00 0.00 C ATOM 632 O ALA A 38 10.930 6.111 1.550 1.00 0.00 O ATOM 633 CB ALA A 38 9.143 4.899 3.996 1.00 0.00 C ATOM 0 H ALA A 38 7.373 6.625 3.979 1.00 0.00 H new ATOM 0 HA ALA A 38 10.140 6.773 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.065 4.323 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.877 5.027 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.342 4.368 3.481 1.00 0.00 H new ATOM 639 N ARG A 39 8.732 6.026 1.067 1.00 0.00 N ATOM 640 CA ARG A 39 8.887 5.908 -0.365 1.00 0.00 C ATOM 641 C ARG A 39 9.357 7.223 -0.953 1.00 0.00 C ATOM 642 O ARG A 39 10.073 7.261 -1.943 1.00 0.00 O ATOM 643 CB ARG A 39 7.563 5.514 -0.972 1.00 0.00 C ATOM 644 CG ARG A 39 6.868 4.423 -0.176 1.00 0.00 C ATOM 645 CD ARG A 39 6.931 3.082 -0.891 1.00 0.00 C ATOM 646 NE ARG A 39 5.715 2.298 -0.690 1.00 0.00 N ATOM 647 CZ ARG A 39 5.636 0.986 -0.902 1.00 0.00 C ATOM 648 NH1 ARG A 39 6.698 0.310 -1.323 1.00 0.00 N ATOM 649 NH2 ARG A 39 4.492 0.349 -0.695 1.00 0.00 N ATOM 0 H ARG A 39 7.759 6.032 1.373 1.00 0.00 H new ATOM 0 HA ARG A 39 9.634 5.146 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.916 6.389 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.722 5.170 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.334 4.335 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.827 4.699 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.084 3.246 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.790 2.518 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 39 4.878 2.784 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.580 0.796 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.632 -0.695 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.672 0.864 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.431 -0.656 -0.857 1.00 0.00 H new ATOM 663 N ILE A 40 8.935 8.315 -0.347 1.00 0.00 N ATOM 664 CA ILE A 40 9.331 9.621 -0.831 1.00 0.00 C ATOM 665 C ILE A 40 10.818 9.794 -0.600 1.00 0.00 C ATOM 666 O ILE A 40 11.540 10.368 -1.412 1.00 0.00 O ATOM 667 CB ILE A 40 8.481 10.716 -0.181 1.00 0.00 C ATOM 668 CG1 ILE A 40 7.005 10.493 -0.564 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.952 12.100 -0.606 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.773 9.420 -1.635 1.00 0.00 C ATOM 0 H ILE A 40 8.326 8.325 0.471 1.00 0.00 H new ATOM 0 HA ILE A 40 9.151 9.706 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 40 8.587 10.660 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.449 10.218 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.590 11.436 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.331 12.858 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.990 12.240 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.873 12.195 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.706 9.334 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.296 9.700 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.153 8.462 -1.279 1.00 0.00 H new ATOM 682 N GLU A 41 11.264 9.191 0.480 1.00 0.00 N ATOM 683 CA GLU A 41 12.675 9.146 0.830 1.00 0.00 C ATOM 684 C GLU A 41 13.379 8.182 -0.131 1.00 0.00 C ATOM 685 O GLU A 41 14.592 8.236 -0.333 1.00 0.00 O ATOM 686 CB GLU A 41 12.860 8.688 2.280 1.00 0.00 C ATOM 687 CG GLU A 41 13.470 9.750 3.179 1.00 0.00 C ATOM 688 CD GLU A 41 13.934 9.191 4.510 1.00 0.00 C ATOM 689 OE1 GLU A 41 14.852 8.344 4.511 1.00 0.00 O ATOM 690 OE2 GLU A 41 13.379 9.600 5.552 1.00 0.00 O ATOM 0 H GLU A 41 10.658 8.714 1.147 1.00 0.00 H new ATOM 0 HA GLU A 41 13.108 10.142 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.892 8.393 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.495 7.803 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.315 10.211 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.736 10.537 3.355 1.00 0.00 H new ATOM 697 N GLU A 42 12.577 7.252 -0.650 1.00 0.00 N ATOM 698 CA GLU A 42 13.019 6.167 -1.529 1.00 0.00 C ATOM 699 C GLU A 42 13.811 6.608 -2.763 1.00 0.00 C ATOM 700 O GLU A 42 14.989 6.277 -2.907 1.00 0.00 O ATOM 701 CB GLU A 42 11.730 5.530 -2.068 1.00 0.00 C ATOM 702 CG GLU A 42 11.931 4.398 -3.055 1.00 0.00 C ATOM 703 CD GLU A 42 11.205 3.130 -2.651 1.00 0.00 C ATOM 704 OE1 GLU A 42 11.163 2.830 -1.439 1.00 0.00 O ATOM 705 OE2 GLU A 42 10.677 2.436 -3.546 1.00 0.00 O ATOM 0 H GLU A 42 11.574 7.231 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 42 13.675 5.522 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.149 5.156 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.133 6.306 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.582 4.713 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.996 4.187 -3.147 1.00 0.00 H new ATOM 712 N HIS A 43 13.155 7.323 -3.659 1.00 0.00 N ATOM 713 CA HIS A 43 13.781 7.760 -4.897 1.00 0.00 C ATOM 714 C HIS A 43 14.615 9.008 -4.713 1.00 0.00 C ATOM 715 O HIS A 43 15.618 9.208 -5.399 1.00 0.00 O ATOM 716 CB HIS A 43 12.705 8.008 -5.938 1.00 0.00 C ATOM 717 CG HIS A 43 12.076 6.754 -6.464 1.00 0.00 C ATOM 718 ND1 HIS A 43 10.979 6.161 -5.877 1.00 0.00 N ATOM 719 CD2 HIS A 43 12.396 5.980 -7.527 1.00 0.00 C ATOM 720 CE1 HIS A 43 10.651 5.076 -6.556 1.00 0.00 C ATOM 721 NE2 HIS A 43 11.495 4.945 -7.562 1.00 0.00 N ATOM 0 H HIS A 43 12.184 7.615 -3.553 1.00 0.00 H new ATOM 0 HA HIS A 43 14.456 6.970 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.929 8.638 -5.503 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.138 8.564 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.209 6.146 -8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.832 4.410 -6.327 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.480 4.196 -8.254 1.00 0.00 H new ATOM 730 N ASN A 44 14.178 9.860 -3.809 1.00 0.00 N ATOM 731 CA ASN A 44 14.864 11.105 -3.564 1.00 0.00 C ATOM 732 C ASN A 44 16.275 10.876 -3.063 1.00 0.00 C ATOM 733 O ASN A 44 17.148 11.711 -3.278 1.00 0.00 O ATOM 734 CB ASN A 44 14.063 11.957 -2.595 1.00 0.00 C ATOM 735 CG ASN A 44 13.328 13.058 -3.324 1.00 0.00 C ATOM 736 OD1 ASN A 44 12.240 12.843 -3.866 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.942 14.232 -3.373 1.00 0.00 N ATOM 0 H ASN A 44 13.350 9.710 -3.233 1.00 0.00 H new ATOM 0 HA ASN A 44 14.949 11.641 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.349 11.331 -2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.730 12.391 -1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.515 15.010 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.841 14.357 -2.908 1.00 0.00 H new ATOM 744 N ARG A 45 16.489 9.740 -2.405 1.00 0.00 N ATOM 745 CA ARG A 45 17.804 9.381 -1.883 1.00 0.00 C ATOM 746 C ARG A 45 18.631 8.621 -2.931 1.00 0.00 C ATOM 747 O ARG A 45 19.851 8.507 -2.819 1.00 0.00 O ATOM 748 CB ARG A 45 17.639 8.523 -0.631 1.00 0.00 C ATOM 749 CG ARG A 45 17.544 9.331 0.653 1.00 0.00 C ATOM 750 CD ARG A 45 18.880 9.963 1.012 1.00 0.00 C ATOM 751 NE ARG A 45 19.876 8.962 1.387 1.00 0.00 N ATOM 752 CZ ARG A 45 20.989 9.241 2.063 1.00 0.00 C ATOM 753 NH1 ARG A 45 21.249 10.486 2.441 1.00 0.00 N ATOM 754 NH2 ARG A 45 21.843 8.272 2.362 1.00 0.00 N ATOM 0 H ARG A 45 15.763 9.048 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 45 18.337 10.299 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.741 7.914 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.483 7.837 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.790 10.110 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.215 8.685 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.248 10.540 0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.740 10.662 1.837 1.00 0.00 H new ATOM 0 HE ARG A 45 19.709 7.993 1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.595 11.235 2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.103 10.694 2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.647 7.313 2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.696 8.485 2.880 1.00 0.00 H new ATOM 768 N LYS A 46 17.933 8.062 -3.915 1.00 0.00 N ATOM 769 CA LYS A 46 18.547 7.250 -4.974 1.00 0.00 C ATOM 770 C LYS A 46 19.430 8.042 -5.954 1.00 0.00 C ATOM 771 O LYS A 46 20.635 7.794 -6.047 1.00 0.00 O ATOM 772 CB LYS A 46 17.409 6.594 -5.719 1.00 0.00 C ATOM 773 CG LYS A 46 17.387 5.077 -5.604 1.00 0.00 C ATOM 774 CD LYS A 46 15.999 4.558 -5.260 1.00 0.00 C ATOM 775 CE LYS A 46 15.287 4.002 -6.484 1.00 0.00 C ATOM 776 NZ LYS A 46 15.062 2.534 -6.379 1.00 0.00 N ATOM 0 H LYS A 46 16.921 8.157 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 46 19.224 6.533 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.466 6.990 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.472 6.867 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.717 4.636 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.094 4.760 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.079 3.780 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.406 5.364 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.329 4.508 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.877 4.216 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.575 2.196 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.977 2.048 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.477 2.331 -5.543 1.00 0.00 H new ATOM 790 N PHE A 47 18.863 9.046 -6.626 1.00 0.00 N ATOM 791 CA PHE A 47 19.656 9.890 -7.516 1.00 0.00 C ATOM 792 C PHE A 47 20.591 10.608 -6.621 1.00 0.00 C ATOM 793 O PHE A 47 21.753 10.857 -6.925 1.00 0.00 O ATOM 794 CB PHE A 47 18.828 10.889 -8.304 1.00 0.00 C ATOM 795 CG PHE A 47 18.034 11.842 -7.474 1.00 0.00 C ATOM 796 CD1 PHE A 47 18.582 13.034 -7.028 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.729 11.550 -7.165 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.826 13.919 -6.282 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.965 12.425 -6.420 1.00 0.00 C ATOM 800 CZ PHE A 47 16.514 13.615 -5.979 1.00 0.00 C ATOM 0 H PHE A 47 17.874 9.290 -6.572 1.00 0.00 H new ATOM 0 HA PHE A 47 20.151 9.277 -8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.494 11.461 -8.950 1.00 0.00 H new ATOM 0 HB3 PHE A 47 18.146 10.341 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.608 13.274 -7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.294 10.623 -7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 47 18.261 14.846 -5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.940 12.181 -6.182 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.918 14.304 -5.399 1.00 0.00 H new ATOM 810 N GLU A 48 20.040 10.857 -5.454 1.00 0.00 N ATOM 811 CA GLU A 48 20.744 11.451 -4.377 1.00 0.00 C ATOM 812 C GLU A 48 22.048 10.675 -4.158 1.00 0.00 C ATOM 813 O GLU A 48 22.965 11.136 -3.478 1.00 0.00 O ATOM 814 CB GLU A 48 19.834 11.362 -3.160 1.00 0.00 C ATOM 815 CG GLU A 48 19.490 12.714 -2.556 1.00 0.00 C ATOM 816 CD GLU A 48 20.655 13.334 -1.808 1.00 0.00 C ATOM 817 OE1 GLU A 48 21.785 13.301 -2.339 1.00 0.00 O ATOM 818 OE2 GLU A 48 20.438 13.852 -0.693 1.00 0.00 O ATOM 0 H GLU A 48 19.067 10.641 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 48 21.002 12.492 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.912 10.855 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.316 10.746 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.171 13.391 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.646 12.599 -1.876 1.00 0.00 H new ATOM 825 N LYS A 49 22.103 9.482 -4.771 1.00 0.00 N ATOM 826 CA LYS A 49 23.256 8.604 -4.700 1.00 0.00 C ATOM 827 C LYS A 49 24.090 8.698 -5.967 1.00 0.00 C ATOM 828 O LYS A 49 24.877 7.798 -6.260 1.00 0.00 O ATOM 829 CB LYS A 49 22.804 7.159 -4.483 1.00 0.00 C ATOM 830 CG LYS A 49 23.835 6.299 -3.770 1.00 0.00 C ATOM 831 CD LYS A 49 23.944 6.665 -2.298 1.00 0.00 C ATOM 832 CE LYS A 49 25.395 6.808 -1.865 1.00 0.00 C ATOM 833 NZ LYS A 49 25.934 8.163 -2.169 1.00 0.00 N ATOM 0 H LYS A 49 21.337 9.107 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 49 23.872 8.920 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.880 7.159 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.574 6.710 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 49 23.562 5.248 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 49 24.806 6.421 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.415 7.600 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.457 5.899 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 49 25.475 6.617 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 49 26.000 6.055 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 26.925 8.220 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 25.881 8.336 -3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 25.372 8.881 -1.668 1.00 0.00 H new ATOM 847 N GLY A 50 23.896 9.768 -6.747 1.00 0.00 N ATOM 848 CA GLY A 50 24.630 9.896 -7.999 1.00 0.00 C ATOM 849 C GLY A 50 24.463 8.624 -8.790 1.00 0.00 C ATOM 850 O GLY A 50 25.366 8.163 -9.489 1.00 0.00 O ATOM 0 H GLY A 50 23.256 10.534 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 50 24.258 10.747 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.686 10.082 -7.801 1.00 0.00 H new ATOM 854 N GLU A 51 23.293 8.040 -8.593 1.00 0.00 N ATOM 855 CA GLU A 51 22.916 6.777 -9.176 1.00 0.00 C ATOM 856 C GLU A 51 22.195 6.943 -10.518 1.00 0.00 C ATOM 857 O GLU A 51 22.657 6.460 -11.553 1.00 0.00 O ATOM 858 CB GLU A 51 22.009 6.080 -8.154 1.00 0.00 C ATOM 859 CG GLU A 51 22.535 4.729 -7.696 1.00 0.00 C ATOM 860 CD GLU A 51 21.441 3.837 -7.140 1.00 0.00 C ATOM 861 OE1 GLU A 51 20.727 4.279 -6.216 1.00 0.00 O ATOM 862 OE2 GLU A 51 21.300 2.696 -7.629 1.00 0.00 O ATOM 0 H GLU A 51 22.565 8.447 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 51 23.806 6.187 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.889 6.728 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.019 5.946 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.017 4.227 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.299 4.880 -6.933 1.00 0.00 H new ATOM 869 N VAL A 52 21.063 7.625 -10.478 1.00 0.00 N ATOM 870 CA VAL A 52 20.233 7.885 -11.637 1.00 0.00 C ATOM 871 C VAL A 52 19.414 9.063 -11.291 1.00 0.00 C ATOM 872 O VAL A 52 19.418 9.472 -10.143 1.00 0.00 O ATOM 873 CB VAL A 52 19.249 6.723 -11.934 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.519 5.553 -11.015 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.783 7.147 -11.799 1.00 0.00 C ATOM 0 H VAL A 52 20.688 8.022 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 52 20.872 8.020 -12.510 1.00 0.00 H new ATOM 0 HB VAL A 52 19.417 6.429 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.820 4.747 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.539 5.200 -11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.393 5.867 -9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.137 6.297 -12.017 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.596 7.493 -10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.571 7.953 -12.501 1.00 0.00 H new ATOM 885 N THR A 53 18.625 9.552 -12.203 1.00 0.00 N ATOM 886 CA THR A 53 17.750 10.593 -11.801 1.00 0.00 C ATOM 887 C THR A 53 16.327 10.053 -11.788 1.00 0.00 C ATOM 888 O THR A 53 15.620 10.044 -12.796 1.00 0.00 O ATOM 889 CB THR A 53 17.948 11.772 -12.722 1.00 0.00 C ATOM 890 OG1 THR A 53 17.323 12.935 -12.208 1.00 0.00 O ATOM 891 CG2 THR A 53 17.442 11.545 -14.129 1.00 0.00 C ATOM 0 H THR A 53 18.573 9.261 -13.179 1.00 0.00 H new ATOM 0 HA THR A 53 17.963 10.944 -10.791 1.00 0.00 H new ATOM 0 HB THR A 53 19.029 11.904 -12.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.468 13.684 -12.823 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.621 12.438 -14.728 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.967 10.699 -14.572 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.373 11.335 -14.102 1.00 0.00 H new ATOM 899 N TRP A 54 15.932 9.629 -10.594 1.00 0.00 N ATOM 900 CA TRP A 54 14.592 9.093 -10.329 1.00 0.00 C ATOM 901 C TRP A 54 14.059 9.602 -8.990 1.00 0.00 C ATOM 902 O TRP A 54 14.718 9.470 -7.962 1.00 0.00 O ATOM 903 CB TRP A 54 14.571 7.556 -10.339 1.00 0.00 C ATOM 904 CG TRP A 54 15.763 6.897 -9.701 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.742 7.485 -8.950 1.00 0.00 C ATOM 906 CD2 TRP A 54 16.091 5.503 -9.762 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.680 6.551 -8.578 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.292 5.323 -9.050 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.488 4.391 -10.355 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.900 4.076 -8.919 1.00 0.00 C ATOM 911 CZ3 TRP A 54 16.089 3.155 -10.221 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.284 3.006 -9.507 1.00 0.00 C ATOM 0 H TRP A 54 16.534 9.645 -9.771 1.00 0.00 H new ATOM 0 HA TRP A 54 13.948 9.446 -11.135 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.671 7.217 -9.827 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.497 7.216 -11.372 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.774 8.532 -8.687 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.525 6.740 -8.040 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.567 4.496 -10.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.824 3.959 -8.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.630 2.289 -10.674 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.729 2.026 -9.419 1.00 0.00 H new ATOM 923 N LYS A 55 12.861 10.172 -9.009 1.00 0.00 N ATOM 924 CA LYS A 55 12.235 10.697 -7.794 1.00 0.00 C ATOM 925 C LYS A 55 11.020 9.908 -7.394 1.00 0.00 C ATOM 926 O LYS A 55 10.382 9.228 -8.197 1.00 0.00 O ATOM 927 CB LYS A 55 11.823 12.159 -7.879 1.00 0.00 C ATOM 928 CG LYS A 55 11.856 12.707 -9.284 1.00 0.00 C ATOM 929 CD LYS A 55 11.858 14.228 -9.299 1.00 0.00 C ATOM 930 CE LYS A 55 10.573 14.782 -9.896 1.00 0.00 C ATOM 931 NZ LYS A 55 10.821 16.000 -10.718 1.00 0.00 N ATOM 0 H LYS A 55 12.299 10.285 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 55 13.022 10.603 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.816 12.270 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.485 12.753 -7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.744 12.338 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.992 12.339 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.979 14.603 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.712 14.586 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.101 14.018 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.874 15.021 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.920 16.346 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.248 16.739 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.468 15.766 -11.498 1.00 0.00 H new ATOM 945 N MET A 56 10.725 10.031 -6.126 1.00 0.00 N ATOM 946 CA MET A 56 9.585 9.363 -5.523 1.00 0.00 C ATOM 947 C MET A 56 8.295 9.863 -6.176 1.00 0.00 C ATOM 948 O MET A 56 8.333 10.769 -7.007 1.00 0.00 O ATOM 949 CB MET A 56 9.515 9.716 -4.045 1.00 0.00 C ATOM 950 CG MET A 56 10.186 11.029 -3.672 1.00 0.00 C ATOM 951 SD MET A 56 9.577 12.414 -4.656 1.00 0.00 S ATOM 952 CE MET A 56 9.583 13.725 -3.436 1.00 0.00 C ATOM 0 H MET A 56 11.267 10.598 -5.474 1.00 0.00 H new ATOM 0 HA MET A 56 9.695 8.287 -5.660 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.468 9.761 -3.745 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.976 8.912 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 56 10.015 11.234 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.263 10.935 -3.808 1.00 0.00 H new ATOM 0 HE1 MET A 56 9.933 14.649 -3.896 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.573 13.871 -3.053 1.00 0.00 H new ATOM 0 HE3 MET A 56 10.247 13.455 -2.615 1.00 0.00 H new ATOM 962 N GLY A 57 7.153 9.290 -5.793 1.00 0.00 N ATOM 963 CA GLY A 57 5.900 9.730 -6.358 1.00 0.00 C ATOM 964 C GLY A 57 4.711 9.357 -5.500 1.00 0.00 C ATOM 965 O GLY A 57 3.568 9.558 -5.910 1.00 0.00 O ATOM 0 H GLY A 57 7.080 8.537 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.924 10.812 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.779 9.293 -7.349 1.00 0.00 H new ATOM 969 N ILE A 58 4.964 8.811 -4.304 1.00 0.00 N ATOM 970 CA ILE A 58 3.884 8.425 -3.418 1.00 0.00 C ATOM 971 C ILE A 58 3.017 7.436 -4.136 1.00 0.00 C ATOM 972 O ILE A 58 2.117 7.822 -4.884 1.00 0.00 O ATOM 973 CB ILE A 58 3.029 9.634 -3.066 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.844 10.673 -2.286 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.777 9.220 -2.296 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.864 10.447 -0.784 1.00 0.00 C ATOM 0 H ILE A 58 5.900 8.632 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 58 4.303 8.000 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 58 2.703 10.097 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.869 10.668 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.437 11.664 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.187 10.105 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.183 8.540 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.067 8.719 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.461 11.224 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.846 10.483 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.300 9.471 -0.569 1.00 0.00 H new ATOM 988 N ASN A 59 3.305 6.171 -3.969 1.00 0.00 N ATOM 989 CA ASN A 59 2.545 5.192 -4.682 1.00 0.00 C ATOM 990 C ASN A 59 1.087 5.169 -4.221 1.00 0.00 C ATOM 991 O ASN A 59 0.785 5.458 -3.064 1.00 0.00 O ATOM 992 CB ASN A 59 3.179 3.805 -4.568 1.00 0.00 C ATOM 993 CG ASN A 59 4.384 3.645 -5.473 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.205 4.553 -5.598 1.00 0.00 O ATOM 995 ND2 ASN A 59 4.497 2.485 -6.110 1.00 0.00 N ATOM 0 H ASN A 59 4.040 5.807 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 59 2.554 5.477 -5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.478 3.629 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.437 3.047 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.288 2.320 -6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.793 1.759 -5.977 1.00 0.00 H new ATOM 1002 N HIS A 60 0.189 4.829 -5.144 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.243 4.772 -4.851 1.00 0.00 C ATOM 1004 C HIS A 60 -1.525 3.902 -3.629 1.00 0.00 C ATOM 1005 O HIS A 60 -2.186 4.326 -2.666 1.00 0.00 O ATOM 1006 CB HIS A 60 -2.006 4.228 -6.061 1.00 0.00 C ATOM 1007 CG HIS A 60 -1.965 5.132 -7.256 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -0.839 5.308 -8.033 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -2.924 5.915 -7.808 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -1.106 6.158 -9.008 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -2.364 6.540 -8.894 1.00 0.00 N ATOM 0 H HIS A 60 0.429 4.588 -6.106 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.581 5.785 -4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.590 3.259 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.045 4.061 -5.779 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.940 6.026 -7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.413 6.485 -9.769 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.843 7.194 -9.513 1.00 0.00 H new ATOM 1020 N LEU A 61 -1.028 2.678 -3.648 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.258 1.810 -2.521 1.00 0.00 C ATOM 1022 C LEU A 61 -0.531 2.297 -1.303 1.00 0.00 C ATOM 1023 O LEU A 61 -0.689 1.707 -0.248 1.00 0.00 O ATOM 1024 CB LEU A 61 -0.861 0.356 -2.778 1.00 0.00 C ATOM 1025 CG LEU A 61 0.638 0.025 -2.885 1.00 0.00 C ATOM 1026 CD1 LEU A 61 1.112 0.132 -4.325 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.509 0.883 -1.972 1.00 0.00 C ATOM 0 H LEU A 61 -0.480 2.277 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.335 1.838 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.281 -0.252 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.340 0.038 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 61 0.749 -1.005 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.174 -0.106 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.552 -0.568 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.950 1.147 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.554 0.600 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.385 1.934 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.211 0.729 -0.935 1.00 0.00 H new ATOM 1039 N ALA A 62 0.277 3.358 -1.418 1.00 0.00 N ATOM 1040 CA ALA A 62 1.000 3.823 -0.253 1.00 0.00 C ATOM 1041 C ALA A 62 0.052 4.223 0.843 1.00 0.00 C ATOM 1042 O ALA A 62 0.477 4.603 1.926 1.00 0.00 O ATOM 1043 CB ALA A 62 1.962 4.944 -0.525 1.00 0.00 C ATOM 0 H ALA A 62 0.436 3.886 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 62 1.603 2.972 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.459 5.229 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.707 4.616 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.419 5.801 -0.924 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.234 4.077 0.582 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.232 4.357 1.558 1.00 0.00 C ATOM 1051 C ASP A 63 -2.970 3.089 1.779 1.00 0.00 C ATOM 1052 O ASP A 63 -3.441 2.832 2.863 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.149 5.461 1.070 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.895 6.192 2.189 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.267 6.474 3.231 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -5.116 6.482 2.020 1.00 0.00 O ATOM 0 H ASP A 63 -1.600 3.761 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.795 4.709 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.561 6.185 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.877 5.036 0.380 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.002 2.258 0.750 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.626 0.975 0.884 1.00 0.00 C ATOM 1063 C LEU A 64 -2.778 -0.109 0.255 1.00 0.00 C ATOM 1064 O LEU A 64 -2.861 -0.401 -0.925 1.00 0.00 O ATOM 1065 CB LEU A 64 -4.963 0.988 0.222 1.00 0.00 C ATOM 1066 CG LEU A 64 -4.892 1.410 -1.242 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.774 0.216 -2.152 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.075 2.282 -1.631 1.00 0.00 C ATOM 0 H LEU A 64 -2.607 2.455 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.737 0.765 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.406 -0.006 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.623 1.668 0.760 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.990 2.010 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.726 0.551 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.869 -0.340 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.642 -0.429 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.990 2.563 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.001 1.728 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.083 3.181 -1.014 1.00 0.00 H new ATOM 1080 N THR A 65 -1.988 -0.713 1.077 1.00 0.00 N ATOM 1081 CA THR A 65 -1.113 -1.807 0.664 1.00 0.00 C ATOM 1082 C THR A 65 -1.680 -3.103 1.211 1.00 0.00 C ATOM 1083 O THR A 65 -2.683 -3.068 1.907 1.00 0.00 O ATOM 1084 CB THR A 65 0.323 -1.647 1.186 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.390 -0.707 2.216 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.317 -1.250 0.123 1.00 0.00 C ATOM 0 H THR A 65 -1.916 -0.475 2.066 1.00 0.00 H new ATOM 0 HA THR A 65 -1.071 -1.806 -0.425 1.00 0.00 H new ATOM 0 HB THR A 65 0.594 -2.638 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.312 -0.644 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.308 -1.157 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.340 -2.011 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.023 -0.295 -0.312 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.019 -4.259 0.984 1.00 0.00 N ATOM 1095 CA PRO A 66 -1.439 -5.546 1.553 1.00 0.00 C ATOM 1096 C PRO A 66 -2.042 -5.350 2.937 1.00 0.00 C ATOM 1097 O PRO A 66 -2.944 -6.074 3.343 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.106 -6.311 1.648 1.00 0.00 C ATOM 1099 CG PRO A 66 0.911 -5.269 1.315 1.00 0.00 C ATOM 1100 CD PRO A 66 0.235 -4.448 0.276 1.00 0.00 C ATOM 0 HA PRO A 66 -2.201 -6.058 0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.051 -6.723 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.070 -7.146 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.177 -4.673 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.833 -5.713 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.753 -3.513 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.117 -4.970 -0.674 1.00 0.00 H new ATOM 1108 N GLU A 67 -1.558 -4.320 3.641 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.089 -3.993 4.958 1.00 0.00 C ATOM 1110 C GLU A 67 -3.572 -3.794 4.809 1.00 0.00 C ATOM 1111 O GLU A 67 -4.403 -4.449 5.439 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.536 -2.630 5.429 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.216 -2.215 4.811 1.00 0.00 C ATOM 1114 CD GLU A 67 0.814 -3.330 4.795 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.751 -4.209 5.679 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.684 -3.323 3.897 1.00 0.00 O ATOM 0 H GLU A 67 -0.808 -3.708 3.320 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.824 -4.786 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.277 -1.861 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.417 -2.660 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.391 -1.876 3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.186 -1.366 5.364 1.00 0.00 H new ATOM 1123 N GLU A 68 -3.853 -2.887 3.901 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.197 -2.534 3.519 1.00 0.00 C ATOM 1125 C GLU A 68 -5.784 -3.597 2.606 1.00 0.00 C ATOM 1126 O GLU A 68 -6.891 -4.089 2.802 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.176 -1.191 2.817 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.537 -0.762 2.332 1.00 0.00 C ATOM 1129 CD GLU A 68 -6.843 -1.328 0.966 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -5.878 -1.562 0.206 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.035 -1.534 0.655 1.00 0.00 O ATOM 0 H GLU A 68 -3.136 -2.364 3.398 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.821 -2.469 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.784 -0.436 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.493 -1.240 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.297 -1.090 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.584 0.326 2.295 1.00 0.00 H new ATOM 1138 N PHE A 69 -4.996 -3.911 1.584 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.350 -4.879 0.564 1.00 0.00 C ATOM 1140 C PHE A 69 -5.772 -6.214 1.180 1.00 0.00 C ATOM 1141 O PHE A 69 -6.577 -6.948 0.606 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.142 -5.067 -0.367 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.145 -4.176 -1.585 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.000 -4.455 -2.639 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.286 -3.073 -1.693 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.010 -3.666 -3.773 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.301 -2.286 -2.829 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.161 -2.582 -3.868 1.00 0.00 C ATOM 0 H PHE A 69 -4.078 -3.490 1.443 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.204 -4.508 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.230 -4.882 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.109 -6.107 -0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.668 -5.301 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.610 -2.837 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.683 -3.898 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.638 -1.437 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.169 -1.965 -4.755 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.222 -6.524 2.351 1.00 0.00 N ATOM 1159 CA ALA A 70 -5.540 -7.770 3.044 1.00 0.00 C ATOM 1160 C ALA A 70 -6.835 -7.671 3.848 1.00 0.00 C ATOM 1161 O ALA A 70 -7.724 -8.513 3.713 1.00 0.00 O ATOM 1162 CB ALA A 70 -4.394 -8.167 3.963 1.00 0.00 C ATOM 0 H ALA A 70 -4.553 -5.929 2.841 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.683 -8.535 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.643 -9.097 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.488 -8.308 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.230 -7.381 4.700 1.00 0.00 H new ATOM 1168 N GLN A 71 -6.922 -6.660 4.707 1.00 0.00 N ATOM 1169 CA GLN A 71 -8.094 -6.476 5.559 1.00 0.00 C ATOM 1170 C GLN A 71 -9.232 -5.745 4.844 1.00 0.00 C ATOM 1171 O GLN A 71 -10.330 -5.625 5.388 1.00 0.00 O ATOM 1172 CB GLN A 71 -7.706 -5.713 6.828 1.00 0.00 C ATOM 1173 CG GLN A 71 -8.269 -6.324 8.100 1.00 0.00 C ATOM 1174 CD GLN A 71 -7.607 -5.780 9.351 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -7.949 -4.699 9.828 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -6.652 -6.530 9.889 1.00 0.00 N ATOM 0 H GLN A 71 -6.195 -5.955 4.832 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.459 -7.470 5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.619 -5.677 6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.054 -4.684 6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.341 -6.131 8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.141 -7.406 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.400 -7.420 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.170 -6.216 10.731 1.00 0.00 H new ATOM 1185 N ARG A 72 -8.988 -5.283 3.623 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.017 -4.602 2.858 1.00 0.00 C ATOM 1187 C ARG A 72 -10.799 -5.631 2.067 1.00 0.00 C ATOM 1188 O ARG A 72 -11.987 -5.461 1.794 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.412 -3.545 1.927 1.00 0.00 C ATOM 1190 CG ARG A 72 -8.755 -4.118 0.678 1.00 0.00 C ATOM 1191 CD ARG A 72 -9.538 -3.765 -0.577 1.00 0.00 C ATOM 1192 NE ARG A 72 -9.375 -4.769 -1.625 1.00 0.00 N ATOM 1193 CZ ARG A 72 -10.200 -4.898 -2.661 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -11.243 -4.088 -2.794 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -9.983 -5.841 -3.568 1.00 0.00 N ATOM 0 H ARG A 72 -8.090 -5.369 3.146 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.685 -4.080 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.196 -2.850 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.672 -2.969 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.738 -3.735 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.681 -5.202 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.595 -3.668 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.208 -2.795 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.583 -5.408 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.416 -3.361 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.871 -4.192 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.184 -6.467 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.615 -5.940 -4.362 1.00 0.00 H new