USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 37 HIS :FLIP no HD1:sc= -0.659 F(o=-1.5,f=-0.66) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -167:sc= 0.514 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 29 SER OG : rot 180:sc= -0.765 USER MOD Single : A 31 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.036) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 92:sc= 1.11 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 170:sc= -0.883 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -1.23 (180deg=-1.45) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= -0.226 USER MOD Single : A 66 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.644 18.742 9.824 1.00 0.00 N ATOM 2 CA MET A 1 -8.658 17.379 10.419 1.00 0.00 C ATOM 3 C MET A 1 -9.542 16.435 9.609 1.00 0.00 C ATOM 4 O MET A 1 -10.747 16.343 9.843 1.00 0.00 O ATOM 5 CB MET A 1 -9.169 17.481 11.858 1.00 0.00 C ATOM 6 CG MET A 1 -8.234 16.857 12.880 1.00 0.00 C ATOM 7 SD MET A 1 -8.894 16.924 14.557 1.00 0.00 S ATOM 8 CE MET A 1 -8.326 15.354 15.207 1.00 0.00 C ATOM 0 H1 MET A 1 -8.036 19.363 10.394 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.275 18.693 8.853 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.611 19.124 9.808 1.00 0.00 H new ATOM 0 HA MET A 1 -7.647 16.971 10.408 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.319 18.531 12.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.143 16.996 11.924 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.047 15.818 12.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.274 17.372 12.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.656 15.247 16.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.738 14.542 14.608 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.237 15.317 15.168 1.00 0.00 H new ATOM 20 N THR A 2 -8.934 15.735 8.656 1.00 0.00 N ATOM 21 CA THR A 2 -9.666 14.798 7.812 1.00 0.00 C ATOM 22 C THR A 2 -9.076 13.395 7.921 1.00 0.00 C ATOM 23 O THR A 2 -8.063 13.085 7.294 1.00 0.00 O ATOM 24 CB THR A 2 -9.641 15.262 6.354 1.00 0.00 C ATOM 25 OG1 THR A 2 -8.448 15.974 6.076 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.804 16.158 5.992 1.00 0.00 C ATOM 0 H THR A 2 -7.937 15.799 8.449 1.00 0.00 H new ATOM 0 HA THR A 2 -10.699 14.768 8.157 1.00 0.00 H new ATOM 0 HB THR A 2 -9.706 14.351 5.759 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.449 16.261 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.726 16.451 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.740 15.621 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.786 17.049 6.620 1.00 0.00 H new ATOM 34 N ARG A 3 -9.718 12.550 8.723 1.00 0.00 N ATOM 35 CA ARG A 3 -9.257 11.180 8.913 1.00 0.00 C ATOM 36 C ARG A 3 -9.339 10.389 7.612 1.00 0.00 C ATOM 37 O ARG A 3 -10.140 10.702 6.733 1.00 0.00 O ATOM 38 CB ARG A 3 -10.085 10.488 9.998 1.00 0.00 C ATOM 39 CG ARG A 3 -10.089 11.229 11.325 1.00 0.00 C ATOM 40 CD ARG A 3 -10.618 10.355 12.453 1.00 0.00 C ATOM 41 NE ARG A 3 -11.757 10.969 13.131 1.00 0.00 N ATOM 42 CZ ARG A 3 -12.998 10.962 12.652 1.00 0.00 C ATOM 43 NH1 ARG A 3 -13.264 10.372 11.493 1.00 0.00 N ATOM 44 NH2 ARG A 3 -13.975 11.544 13.332 1.00 0.00 N ATOM 0 H ARG A 3 -10.557 12.790 9.250 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.214 11.216 9.227 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.112 10.382 9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.696 9.482 10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.077 11.557 11.562 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.703 12.126 11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.914 9.385 12.052 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.822 10.172 13.174 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.591 11.431 14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.515 9.922 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.217 10.369 11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.776 11.998 14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.926 11.538 12.964 1.00 0.00 H new ATOM 58 N TRP A 4 -8.503 9.362 7.498 1.00 0.00 N ATOM 59 CA TRP A 4 -8.478 8.524 6.304 1.00 0.00 C ATOM 60 C TRP A 4 -9.653 7.549 6.299 1.00 0.00 C ATOM 61 O TRP A 4 -10.575 7.669 7.106 1.00 0.00 O ATOM 62 CB TRP A 4 -7.155 7.762 6.223 1.00 0.00 C ATOM 63 CG TRP A 4 -6.289 8.179 5.068 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.425 9.289 4.287 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.150 7.481 4.571 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.438 9.318 3.331 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.641 8.216 3.487 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.517 6.305 4.945 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.520 7.802 2.772 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.405 5.891 4.237 1.00 0.00 C ATOM 71 CH2 TRP A 4 -2.915 6.639 3.160 1.00 0.00 C ATOM 0 H TRP A 4 -7.834 9.090 8.218 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.568 9.169 5.430 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.603 7.909 7.151 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.364 6.695 6.143 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.196 10.036 4.403 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.319 10.042 2.622 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.887 5.723 5.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.142 8.379 1.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.906 4.976 4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.043 6.291 2.626 1.00 0.00 H new ATOM 82 N VAL A 5 -9.620 6.589 5.380 1.00 0.00 N ATOM 83 CA VAL A 5 -10.688 5.601 5.269 1.00 0.00 C ATOM 84 C VAL A 5 -10.132 4.180 5.201 1.00 0.00 C ATOM 85 O VAL A 5 -9.108 3.938 4.562 1.00 0.00 O ATOM 86 CB VAL A 5 -11.555 5.851 4.021 1.00 0.00 C ATOM 87 CG1 VAL A 5 -12.818 5.007 4.068 1.00 0.00 C ATOM 88 CG2 VAL A 5 -11.898 7.329 3.890 1.00 0.00 C ATOM 0 H VAL A 5 -8.866 6.474 4.702 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.301 5.705 6.164 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.981 5.557 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.417 5.198 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.549 3.951 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.395 5.265 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.511 7.483 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.449 7.654 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.979 7.909 3.802 1.00 0.00 H new ATOM 98 N PRO A 6 -10.803 3.212 5.855 1.00 0.00 N ATOM 99 CA PRO A 6 -10.368 1.812 5.854 1.00 0.00 C ATOM 100 C PRO A 6 -10.319 1.232 4.446 1.00 0.00 C ATOM 101 O PRO A 6 -10.626 1.919 3.472 1.00 0.00 O ATOM 102 CB PRO A 6 -11.435 1.092 6.687 1.00 0.00 C ATOM 103 CG PRO A 6 -12.093 2.165 7.486 1.00 0.00 C ATOM 104 CD PRO A 6 -12.036 3.403 6.640 1.00 0.00 C ATOM 0 HA PRO A 6 -9.360 1.702 6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.154 0.579 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.987 0.337 7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.124 1.900 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.578 2.317 8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.913 3.494 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.991 4.306 7.249 1.00 0.00 H new ATOM 112 N THR A 7 -9.930 -0.035 4.344 1.00 0.00 N ATOM 113 CA THR A 7 -9.839 -0.703 3.051 1.00 0.00 C ATOM 114 C THR A 7 -10.722 -1.946 3.013 1.00 0.00 C ATOM 115 O THR A 7 -10.546 -2.870 3.806 1.00 0.00 O ATOM 116 CB THR A 7 -8.389 -1.085 2.752 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.010 -2.233 3.488 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.400 0.015 3.077 1.00 0.00 C ATOM 0 H THR A 7 -9.673 -0.619 5.140 1.00 0.00 H new ATOM 0 HA THR A 7 -10.190 -0.008 2.288 1.00 0.00 H new ATOM 0 HB THR A 7 -8.357 -1.275 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.038 -2.346 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.391 -0.322 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.634 0.901 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.463 0.259 4.138 1.00 0.00 H new ATOM 126 N LYS A 8 -11.673 -1.961 2.085 1.00 0.00 N ATOM 127 CA LYS A 8 -12.584 -3.091 1.938 1.00 0.00 C ATOM 128 C LYS A 8 -12.557 -3.626 0.510 1.00 0.00 C ATOM 129 O LYS A 8 -11.934 -3.036 -0.372 1.00 0.00 O ATOM 130 CB LYS A 8 -14.009 -2.677 2.312 1.00 0.00 C ATOM 131 CG LYS A 8 -14.151 -2.222 3.757 1.00 0.00 C ATOM 132 CD LYS A 8 -15.580 -1.808 4.073 1.00 0.00 C ATOM 133 CE LYS A 8 -16.501 -3.013 4.187 1.00 0.00 C ATOM 134 NZ LYS A 8 -17.316 -2.973 5.431 1.00 0.00 N ATOM 0 H LYS A 8 -11.833 -1.202 1.422 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.255 -3.882 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.329 -1.870 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.681 -3.517 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.849 -3.029 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.479 -1.385 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.598 -1.246 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.947 -1.142 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.162 -3.048 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.907 -3.927 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.930 -3.811 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.686 -2.965 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.902 -2.114 5.434 1.00 0.00 H new ATOM 148 N ARG A 9 -13.234 -4.749 0.291 1.00 0.00 N ATOM 149 CA ARG A 9 -13.287 -5.363 -1.031 1.00 0.00 C ATOM 150 C ARG A 9 -11.889 -5.735 -1.515 1.00 0.00 C ATOM 151 O ARG A 9 -11.618 -5.740 -2.715 1.00 0.00 O ATOM 152 CB ARG A 9 -13.948 -4.413 -2.031 1.00 0.00 C ATOM 153 CG ARG A 9 -15.451 -4.278 -1.839 1.00 0.00 C ATOM 154 CD ARG A 9 -15.921 -2.852 -2.085 1.00 0.00 C ATOM 155 NE ARG A 9 -16.251 -2.163 -0.840 1.00 0.00 N ATOM 156 CZ ARG A 9 -17.393 -2.334 -0.179 1.00 0.00 C ATOM 157 NH1 ARG A 9 -18.317 -3.168 -0.639 1.00 0.00 N ATOM 158 NH2 ARG A 9 -17.613 -1.666 0.946 1.00 0.00 N ATOM 0 H ARG A 9 -13.753 -5.252 1.011 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.881 -6.274 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.489 -3.428 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.750 -4.768 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.968 -4.955 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.718 -4.580 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.142 -2.299 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.796 -2.865 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.566 -1.513 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.154 -3.683 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.190 -3.294 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.907 -1.022 1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.488 -1.796 1.454 1.00 0.00 H new ATOM 172 N GLU A 10 -11.005 -6.048 -0.571 1.00 0.00 N ATOM 173 CA GLU A 10 -9.634 -6.424 -0.903 1.00 0.00 C ATOM 174 C GLU A 10 -9.355 -7.882 -0.540 1.00 0.00 C ATOM 175 O GLU A 10 -8.305 -8.424 -0.886 1.00 0.00 O ATOM 176 CB GLU A 10 -8.645 -5.509 -0.177 1.00 0.00 C ATOM 177 CG GLU A 10 -8.840 -5.472 1.329 1.00 0.00 C ATOM 178 CD GLU A 10 -7.646 -6.019 2.088 1.00 0.00 C ATOM 179 OE1 GLU A 10 -6.623 -5.306 2.179 1.00 0.00 O ATOM 180 OE2 GLU A 10 -7.733 -7.160 2.590 1.00 0.00 O ATOM 0 H GLU A 10 -11.213 -6.049 0.428 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.508 -6.311 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.630 -5.840 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.742 -4.498 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.025 -4.444 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.727 -6.049 1.591 1.00 0.00 H new ATOM 187 N GLU A 11 -10.300 -8.516 0.154 1.00 0.00 N ATOM 188 CA GLU A 11 -10.150 -9.911 0.558 1.00 0.00 C ATOM 189 C GLU A 11 -9.075 -10.059 1.633 1.00 0.00 C ATOM 190 O GLU A 11 -9.373 -10.403 2.776 1.00 0.00 O ATOM 191 CB GLU A 11 -9.802 -10.787 -0.650 1.00 0.00 C ATOM 192 CG GLU A 11 -10.234 -12.235 -0.495 1.00 0.00 C ATOM 193 CD GLU A 11 -9.075 -13.207 -0.611 1.00 0.00 C ATOM 194 OE1 GLU A 11 -8.160 -13.143 0.238 1.00 0.00 O ATOM 195 OE2 GLU A 11 -9.082 -14.031 -1.548 1.00 0.00 O ATOM 0 H GLU A 11 -11.177 -8.085 0.447 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.102 -10.241 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.274 -10.369 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.725 -10.753 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.716 -12.364 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.979 -12.471 -1.255 1.00 0.00 H new ATOM 202 N LYS A 12 -7.829 -9.797 1.258 1.00 0.00 N ATOM 203 CA LYS A 12 -6.714 -9.902 2.193 1.00 0.00 C ATOM 204 C LYS A 12 -5.607 -8.914 1.836 1.00 0.00 C ATOM 205 O LYS A 12 -5.374 -7.943 2.556 1.00 0.00 O ATOM 206 CB LYS A 12 -6.161 -11.330 2.201 1.00 0.00 C ATOM 207 CG LYS A 12 -6.091 -11.946 3.588 1.00 0.00 C ATOM 208 CD LYS A 12 -5.512 -13.352 3.545 1.00 0.00 C ATOM 209 CE LYS A 12 -5.111 -13.830 4.930 1.00 0.00 C ATOM 210 NZ LYS A 12 -5.379 -15.283 5.117 1.00 0.00 N ATOM 0 H LYS A 12 -7.565 -9.511 0.315 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.083 -9.658 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.786 -11.957 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.163 -11.327 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.478 -11.319 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.089 -11.976 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.247 -14.037 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.643 -13.369 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.051 -13.633 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.657 -13.261 5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.091 -15.569 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.395 -15.468 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.838 -15.829 4.416 1.00 0.00 H new ATOM 224 N TYR A 13 -4.926 -9.169 0.725 1.00 0.00 N ATOM 225 CA TYR A 13 -3.842 -8.302 0.278 1.00 0.00 C ATOM 226 C TYR A 13 -3.691 -8.351 -1.240 1.00 0.00 C ATOM 227 O TYR A 13 -4.428 -9.061 -1.925 1.00 0.00 O ATOM 228 CB TYR A 13 -2.527 -8.706 0.946 1.00 0.00 C ATOM 229 CG TYR A 13 -2.290 -10.199 0.966 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.172 -10.919 -0.217 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.182 -10.889 2.167 1.00 0.00 C ATOM 232 CE1 TYR A 13 -1.956 -12.285 -0.202 1.00 0.00 C ATOM 233 CE2 TYR A 13 -1.965 -12.253 2.190 1.00 0.00 C ATOM 234 CZ TYR A 13 -1.852 -12.946 1.003 1.00 0.00 C ATOM 235 OH TYR A 13 -1.636 -14.305 1.021 1.00 0.00 O ATOM 0 H TYR A 13 -5.105 -9.968 0.117 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.089 -7.280 0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.701 -8.223 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.520 -8.332 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.250 -10.404 -1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.269 -10.350 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.869 -12.831 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.884 -12.774 3.133 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.586 -14.616 1.949 1.00 0.00 H new ATOM 245 N GLY A 14 -2.730 -7.593 -1.756 1.00 0.00 N ATOM 246 CA GLY A 14 -2.498 -7.564 -3.189 1.00 0.00 C ATOM 247 C GLY A 14 -1.023 -7.587 -3.537 1.00 0.00 C ATOM 248 O GLY A 14 -0.183 -7.890 -2.689 1.00 0.00 O ATOM 0 H GLY A 14 -2.108 -6.998 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.991 -8.419 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.954 -6.668 -3.610 1.00 0.00 H new ATOM 252 N VAL A 15 -0.707 -7.264 -4.786 1.00 0.00 N ATOM 253 CA VAL A 15 0.675 -7.246 -5.245 1.00 0.00 C ATOM 254 C VAL A 15 1.067 -5.862 -5.747 1.00 0.00 C ATOM 255 O VAL A 15 0.236 -5.121 -6.273 1.00 0.00 O ATOM 256 CB VAL A 15 0.912 -8.275 -6.369 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.376 -8.294 -6.783 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.458 -9.659 -5.929 1.00 0.00 C ATOM 0 H VAL A 15 -1.391 -7.011 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 15 1.295 -7.510 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 15 0.320 -7.979 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.520 -9.027 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.665 -7.307 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.993 -8.562 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.633 -10.372 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.021 -9.963 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.605 -9.634 -5.690 1.00 0.00 H new ATOM 268 N ALA A 16 2.340 -5.520 -5.583 1.00 0.00 N ATOM 269 CA ALA A 16 2.848 -4.227 -6.020 1.00 0.00 C ATOM 270 C ALA A 16 4.060 -4.398 -6.926 1.00 0.00 C ATOM 271 O ALA A 16 5.097 -4.909 -6.498 1.00 0.00 O ATOM 272 CB ALA A 16 3.209 -3.371 -4.814 1.00 0.00 C ATOM 0 H ALA A 16 3.040 -6.122 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 16 2.065 -3.726 -6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.588 -2.407 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.323 -3.217 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.976 -3.876 -4.226 1.00 0.00 H new ATOM 278 N PHE A 17 3.934 -3.965 -8.177 1.00 0.00 N ATOM 279 CA PHE A 17 5.034 -4.077 -9.126 1.00 0.00 C ATOM 280 C PHE A 17 5.623 -2.705 -9.436 1.00 0.00 C ATOM 281 O PHE A 17 5.164 -2.008 -10.341 1.00 0.00 O ATOM 282 CB PHE A 17 4.563 -4.751 -10.417 1.00 0.00 C ATOM 283 CG PHE A 17 3.414 -4.051 -11.088 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.121 -4.200 -10.614 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.628 -3.246 -12.196 1.00 0.00 C ATOM 286 CE1 PHE A 17 1.063 -3.559 -11.230 1.00 0.00 C ATOM 287 CE2 PHE A 17 2.575 -2.604 -12.817 1.00 0.00 C ATOM 288 CZ PHE A 17 1.291 -2.760 -12.334 1.00 0.00 C ATOM 0 H PHE A 17 3.088 -3.537 -8.554 1.00 0.00 H new ATOM 0 HA PHE A 17 5.811 -4.693 -8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.400 -4.804 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.270 -5.777 -10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.937 -4.825 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.630 -3.119 -12.578 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.060 -3.682 -10.849 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.756 -1.980 -13.680 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.466 -2.258 -12.818 1.00 0.00 H new ATOM 298 N TYR A 18 6.649 -2.328 -8.680 1.00 0.00 N ATOM 299 CA TYR A 18 7.311 -1.044 -8.874 1.00 0.00 C ATOM 300 C TYR A 18 8.691 -1.038 -8.225 1.00 0.00 C ATOM 301 O TYR A 18 9.061 -1.978 -7.521 1.00 0.00 O ATOM 302 CB TYR A 18 6.457 0.087 -8.297 1.00 0.00 C ATOM 303 CG TYR A 18 6.340 1.285 -9.212 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.377 1.327 -10.212 1.00 0.00 C ATOM 305 CD2 TYR A 18 7.193 2.372 -9.077 1.00 0.00 C ATOM 306 CE1 TYR A 18 5.269 2.419 -11.054 1.00 0.00 C ATOM 307 CE2 TYR A 18 7.091 3.468 -9.912 1.00 0.00 C ATOM 308 CZ TYR A 18 6.127 3.486 -10.898 1.00 0.00 C ATOM 309 OH TYR A 18 6.022 4.576 -11.732 1.00 0.00 O ATOM 0 H TYR A 18 7.040 -2.894 -7.927 1.00 0.00 H new ATOM 0 HA TYR A 18 7.434 -0.886 -9.945 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.459 -0.295 -8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.886 0.406 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.701 0.493 -10.334 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.949 2.361 -8.306 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.517 2.435 -11.829 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.762 4.306 -9.793 1.00 0.00 H new ATOM 0 HH TYR A 18 6.700 5.241 -11.488 1.00 0.00 H new ATOM 319 N ASN A 19 9.440 0.033 -8.455 1.00 0.00 N ATOM 320 CA ASN A 19 10.773 0.175 -7.882 1.00 0.00 C ATOM 321 C ASN A 19 10.796 1.329 -6.884 1.00 0.00 C ATOM 322 O ASN A 19 11.659 2.205 -6.947 1.00 0.00 O ATOM 323 CB ASN A 19 11.807 0.411 -8.985 1.00 0.00 C ATOM 324 CG ASN A 19 11.913 -0.762 -9.940 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.181 -1.890 -9.528 1.00 0.00 O ATOM 326 ND2 ASN A 19 11.702 -0.500 -11.225 1.00 0.00 N ATOM 0 H ASN A 19 9.146 0.818 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 19 11.027 -0.748 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.539 1.308 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.781 0.596 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.760 -1.249 -11.914 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.482 0.451 -11.522 1.00 0.00 H new ATOM 333 N TYR A 20 9.831 1.326 -5.969 1.00 0.00 N ATOM 334 CA TYR A 20 9.722 2.374 -4.961 1.00 0.00 C ATOM 335 C TYR A 20 10.746 2.181 -3.847 1.00 0.00 C ATOM 336 O TYR A 20 10.989 1.060 -3.398 1.00 0.00 O ATOM 337 CB TYR A 20 8.308 2.393 -4.373 1.00 0.00 C ATOM 338 CG TYR A 20 8.038 3.578 -3.472 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.670 3.700 -2.241 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.146 4.574 -3.854 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.421 4.781 -1.415 1.00 0.00 C ATOM 342 CE2 TYR A 20 6.894 5.658 -3.033 1.00 0.00 C ATOM 343 CZ TYR A 20 7.533 5.755 -1.816 1.00 0.00 C ATOM 344 OH TYR A 20 7.284 6.833 -0.996 1.00 0.00 O ATOM 0 H TYR A 20 9.111 0.606 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 20 9.925 3.329 -5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.585 2.396 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.147 1.475 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.367 2.938 -1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.642 4.500 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.920 4.861 -0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.200 6.425 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 20 6.635 7.428 -1.426 1.00 0.00 H new ATOM 354 N ASP A 21 11.335 3.287 -3.402 1.00 0.00 N ATOM 355 CA ASP A 21 12.330 3.250 -2.336 1.00 0.00 C ATOM 356 C ASP A 21 12.063 4.355 -1.317 1.00 0.00 C ATOM 357 O ASP A 21 12.348 5.526 -1.569 1.00 0.00 O ATOM 358 CB ASP A 21 13.737 3.402 -2.916 1.00 0.00 C ATOM 359 CG ASP A 21 14.818 3.167 -1.879 1.00 0.00 C ATOM 360 OD1 ASP A 21 15.178 4.129 -1.167 1.00 0.00 O ATOM 361 OD2 ASP A 21 15.304 2.021 -1.778 1.00 0.00 O ATOM 0 H ASP A 21 11.140 4.221 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 21 12.258 2.286 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.866 2.698 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.849 4.403 -3.333 1.00 0.00 H new ATOM 366 N ALA A 22 11.512 3.975 -0.169 1.00 0.00 N ATOM 367 CA ALA A 22 11.201 4.933 0.884 1.00 0.00 C ATOM 368 C ALA A 22 12.453 5.662 1.358 1.00 0.00 C ATOM 369 O ALA A 22 13.505 5.051 1.548 1.00 0.00 O ATOM 370 CB ALA A 22 10.526 4.231 2.052 1.00 0.00 C ATOM 0 H ALA A 22 11.272 3.009 0.055 1.00 0.00 H new ATOM 0 HA ALA A 22 10.517 5.675 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.299 4.958 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.602 3.764 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.193 3.467 2.452 1.00 0.00 H new ATOM 376 N ARG A 23 12.329 6.970 1.552 1.00 0.00 N ATOM 377 CA ARG A 23 13.448 7.786 2.009 1.00 0.00 C ATOM 378 C ARG A 23 13.449 7.903 3.531 1.00 0.00 C ATOM 379 O ARG A 23 14.484 8.181 4.139 1.00 0.00 O ATOM 380 CB ARG A 23 13.381 9.179 1.379 1.00 0.00 C ATOM 381 CG ARG A 23 13.277 9.157 -0.138 1.00 0.00 C ATOM 382 CD ARG A 23 12.674 10.445 -0.673 1.00 0.00 C ATOM 383 NE ARG A 23 11.214 10.430 -0.621 1.00 0.00 N ATOM 384 CZ ARG A 23 10.456 11.519 -0.716 1.00 0.00 C ATOM 385 NH1 ARG A 23 11.015 12.713 -0.869 1.00 0.00 N ATOM 386 NH2 ARG A 23 9.136 11.416 -0.661 1.00 0.00 N ATOM 0 H ARG A 23 11.464 7.489 1.400 1.00 0.00 H new ATOM 0 HA ARG A 23 14.372 7.299 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.522 9.712 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.270 9.741 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.267 9.011 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.665 8.310 -0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.049 11.289 -0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.998 10.597 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 23 10.748 9.530 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.030 12.799 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.429 13.545 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.700 10.501 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.556 12.252 -0.734 1.00 0.00 H new ATOM 400 N GLY A 24 12.287 7.690 4.141 1.00 0.00 N ATOM 401 CA GLY A 24 12.181 7.777 5.587 1.00 0.00 C ATOM 402 C GLY A 24 11.488 6.572 6.191 1.00 0.00 C ATOM 403 O GLY A 24 11.039 5.680 5.472 1.00 0.00 O ATOM 0 H GLY A 24 11.417 7.459 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.178 7.872 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.632 8.680 5.854 1.00 0.00 H new ATOM 407 N ALA A 25 11.404 6.543 7.517 1.00 0.00 N ATOM 408 CA ALA A 25 10.763 5.438 8.219 1.00 0.00 C ATOM 409 C ALA A 25 9.248 5.474 8.039 1.00 0.00 C ATOM 410 O ALA A 25 8.587 4.436 8.049 1.00 0.00 O ATOM 411 CB ALA A 25 11.121 5.476 9.697 1.00 0.00 C ATOM 0 H ALA A 25 11.772 7.273 8.127 1.00 0.00 H new ATOM 0 HA ALA A 25 11.130 4.506 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.636 4.646 10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.202 5.392 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.782 6.417 10.129 1.00 0.00 H new ATOM 417 N ASP A 26 8.704 6.676 7.876 1.00 0.00 N ATOM 418 CA ASP A 26 7.268 6.847 7.695 1.00 0.00 C ATOM 419 C ASP A 26 6.778 6.096 6.460 1.00 0.00 C ATOM 420 O ASP A 26 5.664 5.572 6.442 1.00 0.00 O ATOM 421 CB ASP A 26 6.921 8.332 7.573 1.00 0.00 C ATOM 422 CG ASP A 26 5.484 8.623 7.959 1.00 0.00 C ATOM 423 OD1 ASP A 26 4.597 8.492 7.092 1.00 0.00 O ATOM 424 OD2 ASP A 26 5.245 8.985 9.131 1.00 0.00 O ATOM 0 H ASP A 26 9.237 7.546 7.866 1.00 0.00 H new ATOM 0 HA ASP A 26 6.767 6.433 8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.590 8.912 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.092 8.659 6.548 1.00 0.00 H new ATOM 429 N GLU A 27 7.617 6.048 5.431 1.00 0.00 N ATOM 430 CA GLU A 27 7.268 5.361 4.192 1.00 0.00 C ATOM 431 C GLU A 27 7.790 3.927 4.200 1.00 0.00 C ATOM 432 O GLU A 27 8.305 3.448 5.210 1.00 0.00 O ATOM 433 CB GLU A 27 7.832 6.120 2.988 1.00 0.00 C ATOM 434 CG GLU A 27 6.770 6.831 2.166 1.00 0.00 C ATOM 435 CD GLU A 27 5.992 7.850 2.974 1.00 0.00 C ATOM 436 OE1 GLU A 27 5.568 7.516 4.100 1.00 0.00 O ATOM 437 OE2 GLU A 27 5.807 8.983 2.482 1.00 0.00 O ATOM 0 H GLU A 27 8.543 6.476 5.430 1.00 0.00 H new ATOM 0 HA GLU A 27 6.181 5.330 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.559 6.852 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.368 5.421 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.244 7.329 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.079 6.094 1.756 1.00 0.00 H new ATOM 444 N LEU A 28 7.651 3.248 3.067 1.00 0.00 N ATOM 445 CA LEU A 28 8.108 1.868 2.940 1.00 0.00 C ATOM 446 C LEU A 28 8.501 1.557 1.499 1.00 0.00 C ATOM 447 O LEU A 28 7.720 1.772 0.572 1.00 0.00 O ATOM 448 CB LEU A 28 7.013 0.906 3.409 1.00 0.00 C ATOM 449 CG LEU A 28 7.466 -0.539 3.621 1.00 0.00 C ATOM 450 CD1 LEU A 28 6.864 -1.108 4.898 1.00 0.00 C ATOM 451 CD2 LEU A 28 7.090 -1.397 2.424 1.00 0.00 C ATOM 0 H LEU A 28 7.225 3.630 2.223 1.00 0.00 H new ATOM 0 HA LEU A 28 8.988 1.738 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.598 1.281 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.206 0.914 2.676 1.00 0.00 H new ATOM 0 HG LEU A 28 8.551 -0.547 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.198 -2.137 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.185 -0.509 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.776 -1.086 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.420 -2.422 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.008 -1.382 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.571 -1.004 1.529 1.00 0.00 H new ATOM 463 N SER A 29 9.718 1.056 1.319 1.00 0.00 N ATOM 464 CA SER A 29 10.221 0.721 -0.009 1.00 0.00 C ATOM 465 C SER A 29 9.415 -0.413 -0.634 1.00 0.00 C ATOM 466 O SER A 29 9.232 -1.467 -0.026 1.00 0.00 O ATOM 467 CB SER A 29 11.697 0.331 0.066 1.00 0.00 C ATOM 468 OG SER A 29 12.519 1.473 0.238 1.00 0.00 O ATOM 0 H SER A 29 10.376 0.873 2.077 1.00 0.00 H new ATOM 0 HA SER A 29 10.115 1.604 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.852 -0.360 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.984 -0.194 -0.845 1.00 0.00 H new ATOM 0 HG SER A 29 13.458 1.196 0.285 1.00 0.00 H new ATOM 474 N LEU A 30 8.942 -0.189 -1.855 1.00 0.00 N ATOM 475 CA LEU A 30 8.157 -1.190 -2.569 1.00 0.00 C ATOM 476 C LEU A 30 8.944 -1.752 -3.750 1.00 0.00 C ATOM 477 O LEU A 30 9.560 -1.004 -4.511 1.00 0.00 O ATOM 478 CB LEU A 30 6.839 -0.584 -3.055 1.00 0.00 C ATOM 479 CG LEU A 30 5.584 -1.362 -2.658 1.00 0.00 C ATOM 480 CD1 LEU A 30 5.713 -2.825 -3.055 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.327 -1.232 -1.165 1.00 0.00 C ATOM 0 H LEU A 30 9.089 0.678 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 30 7.937 -2.006 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.758 0.431 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.871 -0.506 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 30 4.733 -0.938 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.810 -3.362 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.847 -2.899 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.574 -3.264 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.430 -1.792 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.179 -1.629 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.188 -0.181 -0.910 1.00 0.00 H new ATOM 493 N GLN A 31 8.918 -3.073 -3.898 1.00 0.00 N ATOM 494 CA GLN A 31 9.630 -3.735 -4.985 1.00 0.00 C ATOM 495 C GLN A 31 8.702 -4.668 -5.758 1.00 0.00 C ATOM 496 O GLN A 31 7.688 -5.126 -5.232 1.00 0.00 O ATOM 497 CB GLN A 31 10.822 -4.524 -4.438 1.00 0.00 C ATOM 498 CG GLN A 31 12.042 -3.665 -4.155 1.00 0.00 C ATOM 499 CD GLN A 31 12.631 -3.920 -2.781 1.00 0.00 C ATOM 500 OE1 GLN A 31 13.827 -4.177 -2.644 1.00 0.00 O ATOM 501 NE2 GLN A 31 11.792 -3.848 -1.755 1.00 0.00 N ATOM 0 H GLN A 31 8.412 -3.706 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 31 9.993 -2.966 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.522 -5.028 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.093 -5.300 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.801 -3.858 -4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.768 -2.613 -4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.808 -3.632 -1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.131 -4.009 -0.807 1.00 0.00 H new ATOM 510 N ILE A 32 9.059 -4.943 -7.008 1.00 0.00 N ATOM 511 CA ILE A 32 8.260 -5.820 -7.854 1.00 0.00 C ATOM 512 C ILE A 32 8.325 -7.263 -7.369 1.00 0.00 C ATOM 513 O ILE A 32 9.361 -7.721 -6.887 1.00 0.00 O ATOM 514 CB ILE A 32 8.721 -5.758 -9.325 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.778 -4.305 -9.801 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.791 -6.574 -10.210 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.756 -4.076 -10.933 1.00 0.00 C ATOM 0 H ILE A 32 9.896 -4.571 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 32 7.231 -5.467 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 32 9.721 -6.185 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.783 -3.998 -10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.052 -3.667 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.131 -6.519 -11.244 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.795 -7.613 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.779 -6.175 -10.139 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.743 -3.024 -11.218 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.759 -4.351 -10.608 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.471 -4.688 -11.789 1.00 0.00 H new ATOM 529 N GLY A 33 7.208 -7.971 -7.491 1.00 0.00 N ATOM 530 CA GLY A 33 7.154 -9.353 -7.053 1.00 0.00 C ATOM 531 C GLY A 33 6.803 -9.483 -5.581 1.00 0.00 C ATOM 532 O GLY A 33 6.633 -10.592 -5.074 1.00 0.00 O ATOM 0 H GLY A 33 6.338 -7.612 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.416 -9.891 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.118 -9.827 -7.237 1.00 0.00 H new ATOM 536 N ASP A 34 6.694 -8.348 -4.894 1.00 0.00 N ATOM 537 CA ASP A 34 6.363 -8.340 -3.474 1.00 0.00 C ATOM 538 C ASP A 34 4.866 -8.143 -3.262 1.00 0.00 C ATOM 539 O ASP A 34 4.214 -7.414 -4.009 1.00 0.00 O ATOM 540 CB ASP A 34 7.136 -7.230 -2.760 1.00 0.00 C ATOM 541 CG ASP A 34 8.595 -7.581 -2.552 1.00 0.00 C ATOM 542 OD1 ASP A 34 8.890 -8.372 -1.632 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.444 -7.065 -3.309 1.00 0.00 O ATOM 0 H ASP A 34 6.830 -7.422 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 34 6.647 -9.306 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.066 -6.311 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.672 -7.032 -1.794 1.00 0.00 H new ATOM 548 N THR A 35 4.331 -8.791 -2.234 1.00 0.00 N ATOM 549 CA THR A 35 2.912 -8.679 -1.918 1.00 0.00 C ATOM 550 C THR A 35 2.696 -7.689 -0.779 1.00 0.00 C ATOM 551 O THR A 35 3.355 -7.767 0.259 1.00 0.00 O ATOM 552 CB THR A 35 2.337 -10.044 -1.538 1.00 0.00 C ATOM 553 OG1 THR A 35 2.526 -10.977 -2.588 1.00 0.00 O ATOM 554 CG2 THR A 35 0.858 -10.001 -1.223 1.00 0.00 C ATOM 0 H THR A 35 4.857 -9.398 -1.606 1.00 0.00 H new ATOM 0 HA THR A 35 2.393 -8.315 -2.805 1.00 0.00 H new ATOM 0 HB THR A 35 2.875 -10.346 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.153 -11.845 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.513 -11.001 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.684 -9.326 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.310 -9.645 -2.096 1.00 0.00 H new ATOM 562 N VAL A 36 1.774 -6.754 -0.980 1.00 0.00 N ATOM 563 CA VAL A 36 1.480 -5.746 0.031 1.00 0.00 C ATOM 564 C VAL A 36 0.063 -5.895 0.571 1.00 0.00 C ATOM 565 O VAL A 36 -0.878 -6.144 -0.183 1.00 0.00 O ATOM 566 CB VAL A 36 1.649 -4.322 -0.533 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.121 -3.972 -0.667 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.936 -4.189 -1.870 1.00 0.00 C ATOM 0 H VAL A 36 1.219 -6.673 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 36 2.191 -5.901 0.842 1.00 0.00 H new ATOM 0 HB VAL A 36 1.195 -3.618 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.220 -2.963 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.598 -4.023 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.603 -4.679 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.066 -3.177 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.356 -4.902 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.127 -4.393 -1.738 1.00 0.00 H new ATOM 578 N HIS A 37 -0.083 -5.731 1.881 1.00 0.00 N ATOM 579 CA HIS A 37 -1.385 -5.836 2.527 1.00 0.00 C ATOM 580 C HIS A 37 -1.984 -4.450 2.739 1.00 0.00 C ATOM 581 O HIS A 37 -1.516 -3.684 3.582 1.00 0.00 O ATOM 582 CB HIS A 37 -1.259 -6.565 3.866 1.00 0.00 C ATOM 583 CG HIS A 37 -2.568 -6.745 4.572 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.348 -5.857 5.233 1.00 0.00 N flip ATOM 585 CD2 HIS A 37 -3.219 -7.958 4.654 1.00 0.00 C flip ATOM 586 CE1 HIS A 37 -4.443 -6.542 5.695 1.00 0.00 C flip ATOM 587 NE2 HIS A 37 -4.343 -7.808 5.332 1.00 0.00 N flip ATOM 0 H HIS A 37 0.687 -5.524 2.517 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.047 -6.409 1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.808 -7.543 3.698 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.580 -6.008 4.512 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.865 -8.886 4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.256 -6.115 6.264 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.018 -8.544 5.540 1.00 0.00 H new ATOM 596 N ILE A 38 -3.016 -4.131 1.965 1.00 0.00 N ATOM 597 CA ILE A 38 -3.674 -2.832 2.066 1.00 0.00 C ATOM 598 C ILE A 38 -4.285 -2.631 3.449 1.00 0.00 C ATOM 599 O ILE A 38 -5.313 -3.225 3.775 1.00 0.00 O ATOM 600 CB ILE A 38 -4.783 -2.655 1.004 1.00 0.00 C ATOM 601 CG1 ILE A 38 -4.409 -3.341 -0.317 1.00 0.00 C ATOM 602 CG2 ILE A 38 -5.060 -1.178 0.774 1.00 0.00 C ATOM 603 CD1 ILE A 38 -3.022 -3.000 -0.814 1.00 0.00 C ATOM 0 H ILE A 38 -3.415 -4.753 1.262 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.900 -2.085 1.891 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.688 -3.131 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.483 -4.421 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.136 -3.061 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.843 -1.067 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.385 -0.719 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.151 -0.687 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.832 -3.523 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.948 -1.925 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.284 -3.306 -0.072 1.00 0.00 H new ATOM 615 N LEU A 39 -3.648 -1.788 4.257 1.00 0.00 N ATOM 616 CA LEU A 39 -4.135 -1.506 5.602 1.00 0.00 C ATOM 617 C LEU A 39 -5.019 -0.262 5.606 1.00 0.00 C ATOM 618 O LEU A 39 -5.951 -0.152 6.403 1.00 0.00 O ATOM 619 CB LEU A 39 -2.960 -1.325 6.566 1.00 0.00 C ATOM 620 CG LEU A 39 -3.341 -0.884 7.982 1.00 0.00 C ATOM 621 CD1 LEU A 39 -2.407 -1.511 9.005 1.00 0.00 C ATOM 622 CD2 LEU A 39 -3.314 0.633 8.090 1.00 0.00 C ATOM 0 H LEU A 39 -2.795 -1.290 4.004 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.734 -2.354 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.415 -2.267 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.275 -0.589 6.145 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.355 -1.226 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.693 -1.186 10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.475 -2.597 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.382 -1.200 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.587 0.931 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.312 0.996 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.024 1.061 7.382 1.00 0.00 H new ATOM 634 N GLU A 40 -4.723 0.670 4.706 1.00 0.00 N ATOM 635 CA GLU A 40 -5.491 1.907 4.597 1.00 0.00 C ATOM 636 C GLU A 40 -5.572 2.361 3.142 1.00 0.00 C ATOM 637 O GLU A 40 -4.612 2.222 2.387 1.00 0.00 O ATOM 638 CB GLU A 40 -4.858 3.006 5.455 1.00 0.00 C ATOM 639 CG GLU A 40 -5.788 3.549 6.529 1.00 0.00 C ATOM 640 CD GLU A 40 -6.313 2.466 7.451 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.306 1.805 7.084 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.731 2.280 8.540 1.00 0.00 O ATOM 0 H GLU A 40 -3.955 0.592 4.039 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.501 1.716 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.959 2.613 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.545 3.826 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.258 4.297 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.629 4.055 6.054 1.00 0.00 H new ATOM 649 N THR A 41 -6.725 2.898 2.753 1.00 0.00 N ATOM 650 CA THR A 41 -6.924 3.362 1.383 1.00 0.00 C ATOM 651 C THR A 41 -7.803 4.608 1.345 1.00 0.00 C ATOM 652 O THR A 41 -8.234 5.111 2.382 1.00 0.00 O ATOM 653 CB THR A 41 -7.557 2.255 0.539 1.00 0.00 C ATOM 654 OG1 THR A 41 -7.811 2.709 -0.779 1.00 0.00 O ATOM 655 CG2 THR A 41 -8.863 1.745 1.109 1.00 0.00 C ATOM 0 H THR A 41 -7.532 3.022 3.364 1.00 0.00 H new ATOM 0 HA THR A 41 -5.948 3.619 0.970 1.00 0.00 H new ATOM 0 HB THR A 41 -6.833 1.440 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.039 2.508 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.260 0.962 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.691 1.341 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.579 2.565 1.168 1.00 0.00 H new ATOM 663 N TYR A 42 -8.064 5.100 0.137 1.00 0.00 N ATOM 664 CA TYR A 42 -8.892 6.285 -0.049 1.00 0.00 C ATOM 665 C TYR A 42 -9.060 6.601 -1.533 1.00 0.00 C ATOM 666 O TYR A 42 -10.163 6.532 -2.073 1.00 0.00 O ATOM 667 CB TYR A 42 -8.275 7.484 0.673 1.00 0.00 C ATOM 668 CG TYR A 42 -9.085 8.755 0.541 1.00 0.00 C ATOM 669 CD1 TYR A 42 -10.096 9.053 1.446 1.00 0.00 C ATOM 670 CD2 TYR A 42 -8.838 9.655 -0.487 1.00 0.00 C ATOM 671 CE1 TYR A 42 -10.840 10.212 1.327 1.00 0.00 C ATOM 672 CE2 TYR A 42 -9.577 10.816 -0.612 1.00 0.00 C ATOM 673 CZ TYR A 42 -10.576 11.090 0.297 1.00 0.00 C ATOM 674 OH TYR A 42 -11.313 12.245 0.176 1.00 0.00 O ATOM 0 H TYR A 42 -7.712 4.694 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.875 6.082 0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.164 7.243 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.274 7.659 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.304 8.369 2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.055 9.444 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.624 10.429 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.373 11.505 -1.418 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.999 12.753 -0.601 1.00 0.00 H new ATOM 684 N GLU A 43 -7.953 6.945 -2.187 1.00 0.00 N ATOM 685 CA GLU A 43 -7.970 7.270 -3.608 1.00 0.00 C ATOM 686 C GLU A 43 -6.561 7.578 -4.106 1.00 0.00 C ATOM 687 O GLU A 43 -6.041 8.672 -3.889 1.00 0.00 O ATOM 688 CB GLU A 43 -8.888 8.468 -3.871 1.00 0.00 C ATOM 689 CG GLU A 43 -9.382 8.551 -5.305 1.00 0.00 C ATOM 690 CD GLU A 43 -10.848 8.929 -5.396 1.00 0.00 C ATOM 691 OE1 GLU A 43 -11.328 9.666 -4.508 1.00 0.00 O ATOM 692 OE2 GLU A 43 -11.516 8.488 -6.356 1.00 0.00 O ATOM 0 H GLU A 43 -7.032 7.005 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.352 6.405 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.747 8.411 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.353 9.386 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.787 9.285 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.227 7.590 -5.795 1.00 0.00 H new ATOM 699 N GLY A 44 -5.946 6.604 -4.769 1.00 0.00 N ATOM 700 CA GLY A 44 -4.601 6.792 -5.278 1.00 0.00 C ATOM 701 C GLY A 44 -3.604 7.059 -4.169 1.00 0.00 C ATOM 702 O GLY A 44 -2.650 7.817 -4.348 1.00 0.00 O ATOM 0 H GLY A 44 -6.355 5.690 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.296 5.904 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.593 7.625 -5.981 1.00 0.00 H new ATOM 706 N TRP A 45 -3.832 6.436 -3.018 1.00 0.00 N ATOM 707 CA TRP A 45 -2.958 6.606 -1.865 1.00 0.00 C ATOM 708 C TRP A 45 -3.350 5.632 -0.757 1.00 0.00 C ATOM 709 O TRP A 45 -4.227 5.927 0.055 1.00 0.00 O ATOM 710 CB TRP A 45 -3.049 8.045 -1.350 1.00 0.00 C ATOM 711 CG TRP A 45 -1.746 8.680 -0.935 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.620 9.882 -0.300 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.399 8.185 -1.114 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.299 10.172 -0.077 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.470 9.151 -0.565 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.165 7.032 -1.681 1.00 0.00 C ATOM 717 CZ2 TRP A 45 1.854 9.001 -0.565 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.540 6.888 -1.678 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.370 7.868 -1.124 1.00 0.00 C ATOM 0 H TRP A 45 -4.618 5.806 -2.859 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.932 6.399 -2.168 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.499 8.661 -2.128 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.727 8.063 -0.497 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.446 10.516 -0.013 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.054 11.013 0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.465 6.269 -2.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.497 9.756 -0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.981 6.003 -2.111 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.440 7.725 -1.139 1.00 0.00 H new ATOM 730 N TYR A 46 -2.707 4.469 -0.733 1.00 0.00 N ATOM 731 CA TYR A 46 -3.010 3.458 0.274 1.00 0.00 C ATOM 732 C TYR A 46 -1.783 3.139 1.122 1.00 0.00 C ATOM 733 O TYR A 46 -0.652 3.171 0.638 1.00 0.00 O ATOM 734 CB TYR A 46 -3.519 2.172 -0.385 1.00 0.00 C ATOM 735 CG TYR A 46 -4.386 2.397 -1.603 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.273 3.466 -1.667 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.320 1.535 -2.689 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.066 3.668 -2.781 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.109 1.729 -3.805 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.982 2.796 -3.847 1.00 0.00 C ATOM 741 OH TYR A 46 -6.771 2.993 -4.957 1.00 0.00 O ATOM 0 H TYR A 46 -1.977 4.204 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.788 3.865 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.663 1.561 -0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.087 1.601 0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.343 4.149 -0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.639 0.697 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.748 4.505 -2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.043 1.049 -4.641 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.589 2.291 -5.617 1.00 0.00 H new ATOM 751 N ARG A 47 -2.023 2.823 2.389 1.00 0.00 N ATOM 752 CA ARG A 47 -0.948 2.485 3.314 1.00 0.00 C ATOM 753 C ARG A 47 -1.107 1.055 3.812 1.00 0.00 C ATOM 754 O ARG A 47 -2.130 0.702 4.397 1.00 0.00 O ATOM 755 CB ARG A 47 -0.941 3.452 4.498 1.00 0.00 C ATOM 756 CG ARG A 47 0.203 3.216 5.471 1.00 0.00 C ATOM 757 CD ARG A 47 0.037 4.036 6.740 1.00 0.00 C ATOM 758 NE ARG A 47 1.203 4.876 7.005 1.00 0.00 N ATOM 759 CZ ARG A 47 1.478 5.412 8.193 1.00 0.00 C ATOM 760 NH1 ARG A 47 0.674 5.197 9.228 1.00 0.00 N ATOM 761 NH2 ARG A 47 2.558 6.164 8.346 1.00 0.00 N ATOM 0 H ARG A 47 -2.956 2.794 2.800 1.00 0.00 H new ATOM 0 HA ARG A 47 0.001 2.570 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.882 4.473 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.886 3.364 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.252 2.157 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.148 3.473 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.850 4.664 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.128 3.367 7.585 1.00 0.00 H new ATOM 0 HE ARG A 47 1.845 5.063 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.159 4.619 9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.889 5.610 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.179 6.332 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.769 6.575 9.256 1.00 0.00 H new ATOM 775 N GLY A 48 -0.093 0.231 3.569 1.00 0.00 N ATOM 776 CA GLY A 48 -0.146 -1.153 3.998 1.00 0.00 C ATOM 777 C GLY A 48 1.195 -1.667 4.478 1.00 0.00 C ATOM 778 O GLY A 48 2.100 -0.884 4.767 1.00 0.00 O ATOM 0 H GLY A 48 0.763 0.497 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.877 -1.253 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.493 -1.773 3.171 1.00 0.00 H new ATOM 782 N TYR A 49 1.324 -2.987 4.564 1.00 0.00 N ATOM 783 CA TYR A 49 2.565 -3.605 5.012 1.00 0.00 C ATOM 784 C TYR A 49 2.896 -4.835 4.172 1.00 0.00 C ATOM 785 O TYR A 49 2.044 -5.694 3.951 1.00 0.00 O ATOM 786 CB TYR A 49 2.461 -3.994 6.488 1.00 0.00 C ATOM 787 CG TYR A 49 1.249 -4.839 6.810 1.00 0.00 C ATOM 788 CD1 TYR A 49 1.231 -6.198 6.522 1.00 0.00 C ATOM 789 CD2 TYR A 49 0.125 -4.279 7.402 1.00 0.00 C ATOM 790 CE1 TYR A 49 0.126 -6.975 6.814 1.00 0.00 C ATOM 791 CE2 TYR A 49 -0.984 -5.049 7.699 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.978 -6.396 7.403 1.00 0.00 C ATOM 793 OH TYR A 49 -2.079 -7.166 7.697 1.00 0.00 O ATOM 0 H TYR A 49 0.584 -3.649 4.329 1.00 0.00 H new ATOM 0 HA TYR A 49 3.368 -2.878 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.360 -4.540 6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.432 -3.087 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.095 -6.655 6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.117 -3.224 7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.127 -8.030 6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.850 -4.598 8.160 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.769 -6.606 8.109 1.00 0.00 H new ATOM 803 N THR A 50 4.138 -4.911 3.707 1.00 0.00 N ATOM 804 CA THR A 50 4.582 -6.034 2.891 1.00 0.00 C ATOM 805 C THR A 50 4.587 -7.326 3.703 1.00 0.00 C ATOM 806 O THR A 50 4.657 -7.299 4.931 1.00 0.00 O ATOM 807 CB THR A 50 5.979 -5.765 2.329 1.00 0.00 C ATOM 808 OG1 THR A 50 6.697 -4.882 3.172 1.00 0.00 O ATOM 809 CG2 THR A 50 5.960 -5.162 0.941 1.00 0.00 C ATOM 0 H THR A 50 4.855 -4.207 3.882 1.00 0.00 H new ATOM 0 HA THR A 50 3.883 -6.148 2.063 1.00 0.00 H new ATOM 0 HB THR A 50 6.462 -6.741 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.634 -4.848 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.983 -4.997 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.456 -5.843 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.427 -4.211 0.965 1.00 0.00 H new ATOM 817 N LEU A 51 4.510 -8.456 3.007 1.00 0.00 N ATOM 818 CA LEU A 51 4.505 -9.758 3.664 1.00 0.00 C ATOM 819 C LEU A 51 5.845 -10.031 4.342 1.00 0.00 C ATOM 820 O LEU A 51 5.906 -10.723 5.358 1.00 0.00 O ATOM 821 CB LEU A 51 4.197 -10.862 2.649 1.00 0.00 C ATOM 822 CG LEU A 51 2.714 -11.203 2.496 1.00 0.00 C ATOM 823 CD1 LEU A 51 2.169 -11.805 3.782 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.921 -9.966 2.106 1.00 0.00 C ATOM 0 H LEU A 51 4.450 -8.496 1.990 1.00 0.00 H new ATOM 0 HA LEU A 51 3.728 -9.750 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.587 -10.560 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.734 -11.764 2.942 1.00 0.00 H new ATOM 0 HG LEU A 51 2.611 -11.942 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.113 -12.041 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.718 -12.716 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.285 -11.090 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.868 -10.227 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.031 -9.205 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.295 -9.578 1.158 1.00 0.00 H new ATOM 836 N ARG A 52 6.913 -9.484 3.772 1.00 0.00 N ATOM 837 CA ARG A 52 8.251 -9.668 4.324 1.00 0.00 C ATOM 838 C ARG A 52 8.391 -8.957 5.664 1.00 0.00 C ATOM 839 O ARG A 52 8.795 -9.560 6.659 1.00 0.00 O ATOM 840 CB ARG A 52 9.305 -9.147 3.344 1.00 0.00 C ATOM 841 CG ARG A 52 9.492 -10.031 2.122 1.00 0.00 C ATOM 842 CD ARG A 52 10.182 -11.338 2.479 1.00 0.00 C ATOM 843 NE ARG A 52 9.827 -12.415 1.558 1.00 0.00 N ATOM 844 CZ ARG A 52 8.600 -12.919 1.446 1.00 0.00 C ATOM 845 NH1 ARG A 52 7.609 -12.448 2.193 1.00 0.00 N ATOM 846 NH2 ARG A 52 8.362 -13.897 0.582 1.00 0.00 N ATOM 0 H ARG A 52 6.879 -8.910 2.929 1.00 0.00 H new ATOM 0 HA ARG A 52 8.407 -10.735 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.022 -8.146 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.258 -9.055 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.522 -10.242 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.081 -9.500 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.262 -11.192 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.910 -11.626 3.495 1.00 0.00 H new ATOM 0 HE ARG A 52 10.562 -12.803 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.785 -11.695 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.671 -12.839 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.119 -14.262 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.422 -14.284 0.496 1.00 0.00 H new ATOM 860 N LYS A 53 8.054 -7.672 5.685 1.00 0.00 N ATOM 861 CA LYS A 53 8.141 -6.876 6.905 1.00 0.00 C ATOM 862 C LYS A 53 6.770 -6.349 7.312 1.00 0.00 C ATOM 863 O LYS A 53 6.433 -5.196 7.049 1.00 0.00 O ATOM 864 CB LYS A 53 9.114 -5.710 6.710 1.00 0.00 C ATOM 865 CG LYS A 53 8.710 -4.761 5.592 1.00 0.00 C ATOM 866 CD LYS A 53 9.926 -4.183 4.888 1.00 0.00 C ATOM 867 CE LYS A 53 9.527 -3.208 3.792 1.00 0.00 C ATOM 868 NZ LYS A 53 10.396 -1.999 3.779 1.00 0.00 N ATOM 0 H LYS A 53 7.718 -7.159 4.870 1.00 0.00 H new ATOM 0 HA LYS A 53 8.512 -7.520 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.188 -5.150 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.106 -6.107 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.088 -5.290 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.105 -3.951 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.560 -3.675 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.517 -4.992 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.585 -3.707 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.489 -2.907 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.229 -1.461 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.173 -1.402 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.394 -2.288 3.822 1.00 0.00 H new ATOM 882 N LYS A 54 5.980 -7.205 7.954 1.00 0.00 N ATOM 883 CA LYS A 54 4.644 -6.827 8.398 1.00 0.00 C ATOM 884 C LYS A 54 4.714 -5.799 9.521 1.00 0.00 C ATOM 885 O LYS A 54 3.833 -4.948 9.653 1.00 0.00 O ATOM 886 CB LYS A 54 3.873 -8.061 8.869 1.00 0.00 C ATOM 887 CG LYS A 54 3.281 -8.880 7.733 1.00 0.00 C ATOM 888 CD LYS A 54 2.097 -9.710 8.202 1.00 0.00 C ATOM 889 CE LYS A 54 1.555 -10.585 7.085 1.00 0.00 C ATOM 890 NZ LYS A 54 0.789 -11.749 7.613 1.00 0.00 N ATOM 0 H LYS A 54 6.243 -8.165 8.178 1.00 0.00 H new ATOM 0 HA LYS A 54 4.121 -6.380 7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.540 -8.695 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.070 -7.745 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.965 -8.214 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.046 -9.537 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.399 -10.336 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.309 -9.050 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.911 -9.990 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.381 -10.943 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.436 -12.321 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.410 -12.331 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.015 -11.408 8.178 1.00 0.00 H new ATOM 904 N SER A 55 5.766 -5.881 10.330 1.00 0.00 N ATOM 905 CA SER A 55 5.951 -4.958 11.443 1.00 0.00 C ATOM 906 C SER A 55 6.042 -3.517 10.948 1.00 0.00 C ATOM 907 O SER A 55 5.635 -2.587 11.642 1.00 0.00 O ATOM 908 CB SER A 55 7.211 -5.320 12.230 1.00 0.00 C ATOM 909 OG SER A 55 7.068 -4.994 13.601 1.00 0.00 O ATOM 0 H SER A 55 6.504 -6.579 10.235 1.00 0.00 H new ATOM 0 HA SER A 55 5.085 -5.043 12.099 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.415 -6.386 12.126 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.068 -4.790 11.814 1.00 0.00 H new ATOM 0 HG SER A 55 7.886 -5.237 14.082 1.00 0.00 H new ATOM 915 N LYS A 56 6.579 -3.343 9.746 1.00 0.00 N ATOM 916 CA LYS A 56 6.724 -2.016 9.159 1.00 0.00 C ATOM 917 C LYS A 56 5.509 -1.660 8.308 1.00 0.00 C ATOM 918 O LYS A 56 4.825 -2.540 7.787 1.00 0.00 O ATOM 919 CB LYS A 56 7.994 -1.947 8.309 1.00 0.00 C ATOM 920 CG LYS A 56 8.661 -0.582 8.323 1.00 0.00 C ATOM 921 CD LYS A 56 9.288 -0.282 9.675 1.00 0.00 C ATOM 922 CE LYS A 56 9.548 1.205 9.852 1.00 0.00 C ATOM 923 NZ LYS A 56 10.058 1.522 11.214 1.00 0.00 N ATOM 0 H LYS A 56 6.921 -4.104 9.159 1.00 0.00 H new ATOM 0 HA LYS A 56 6.799 -1.294 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.703 -2.692 8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.748 -2.211 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.427 -0.542 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.926 0.186 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.629 -0.634 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.225 -0.830 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.271 1.538 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.626 1.758 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.222 2.546 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.358 1.228 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.951 1.014 11.377 1.00 0.00 H new ATOM 937 N LYS A 57 5.246 -0.364 8.172 1.00 0.00 N ATOM 938 CA LYS A 57 4.113 0.108 7.384 1.00 0.00 C ATOM 939 C LYS A 57 4.509 1.308 6.528 1.00 0.00 C ATOM 940 O LYS A 57 5.380 2.093 6.905 1.00 0.00 O ATOM 941 CB LYS A 57 2.948 0.483 8.302 1.00 0.00 C ATOM 942 CG LYS A 57 1.917 -0.625 8.456 1.00 0.00 C ATOM 943 CD LYS A 57 2.233 -1.517 9.646 1.00 0.00 C ATOM 944 CE LYS A 57 1.496 -1.061 10.894 1.00 0.00 C ATOM 945 NZ LYS A 57 1.222 -2.194 11.823 1.00 0.00 N ATOM 0 H LYS A 57 5.802 0.378 8.597 1.00 0.00 H new ATOM 0 HA LYS A 57 3.799 -0.700 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.340 0.743 9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.457 1.373 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.927 -0.187 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.888 -1.226 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.957 -2.546 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.307 -1.509 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.088 -0.304 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.555 -0.590 10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.718 -1.841 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.636 -2.905 11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.121 -2.628 12.116 1.00 0.00 H new ATOM 959 N GLY A 58 3.863 1.443 5.374 1.00 0.00 N ATOM 960 CA GLY A 58 4.160 2.549 4.482 1.00 0.00 C ATOM 961 C GLY A 58 3.030 2.831 3.511 1.00 0.00 C ATOM 962 O GLY A 58 2.040 2.101 3.473 1.00 0.00 O ATOM 0 H GLY A 58 3.139 0.806 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.360 3.444 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.069 2.326 3.922 1.00 0.00 H new ATOM 966 N ILE A 59 3.181 3.889 2.721 1.00 0.00 N ATOM 967 CA ILE A 59 2.167 4.262 1.743 1.00 0.00 C ATOM 968 C ILE A 59 2.659 4.002 0.323 1.00 0.00 C ATOM 969 O ILE A 59 3.864 3.973 0.070 1.00 0.00 O ATOM 970 CB ILE A 59 1.765 5.745 1.876 1.00 0.00 C ATOM 971 CG1 ILE A 59 3.012 6.630 1.968 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.878 5.940 3.097 1.00 0.00 C ATOM 973 CD1 ILE A 59 2.702 8.103 2.125 1.00 0.00 C ATOM 0 H ILE A 59 3.996 4.503 2.739 1.00 0.00 H new ATOM 0 HA ILE A 59 1.292 3.644 1.944 1.00 0.00 H new ATOM 0 HB ILE A 59 1.203 6.037 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.617 6.303 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.614 6.488 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.600 6.991 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.022 5.334 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.420 5.635 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.633 8.667 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.123 8.446 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.126 8.258 3.037 1.00 0.00 H new ATOM 985 N PHE A 60 1.722 3.804 -0.596 1.00 0.00 N ATOM 986 CA PHE A 60 2.066 3.538 -1.989 1.00 0.00 C ATOM 987 C PHE A 60 0.903 3.885 -2.915 1.00 0.00 C ATOM 988 O PHE A 60 -0.261 3.689 -2.564 1.00 0.00 O ATOM 989 CB PHE A 60 2.440 2.064 -2.160 1.00 0.00 C ATOM 990 CG PHE A 60 1.382 1.121 -1.660 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.173 1.002 -2.326 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.594 0.359 -0.522 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.803 0.140 -1.867 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.618 -0.505 -0.059 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.582 -0.613 -0.735 1.00 0.00 C ATOM 0 H PHE A 60 0.720 3.822 -0.404 1.00 0.00 H new ATOM 0 HA PHE A 60 2.917 4.164 -2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.626 1.864 -3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.372 1.869 -1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.008 1.590 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.531 0.441 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.741 0.056 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.794 -1.094 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.346 -1.287 -0.376 1.00 0.00 H new ATOM 1005 N PRO A 61 1.199 4.406 -4.122 1.00 0.00 N ATOM 1006 CA PRO A 61 0.168 4.770 -5.095 1.00 0.00 C ATOM 1007 C PRO A 61 -0.483 3.541 -5.723 1.00 0.00 C ATOM 1008 O PRO A 61 0.185 2.543 -5.992 1.00 0.00 O ATOM 1009 CB PRO A 61 0.930 5.572 -6.164 1.00 0.00 C ATOM 1010 CG PRO A 61 2.300 5.796 -5.608 1.00 0.00 C ATOM 1011 CD PRO A 61 2.544 4.679 -4.637 1.00 0.00 C ATOM 0 HA PRO A 61 -0.644 5.330 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.975 5.024 -7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.432 6.520 -6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.048 5.793 -6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.366 6.764 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.977 3.805 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.230 4.974 -3.843 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.789 3.621 -5.953 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.532 2.515 -6.550 1.00 0.00 C ATOM 1021 C ALA A 62 -2.157 2.312 -8.019 1.00 0.00 C ATOM 1022 O ALA A 62 -2.552 1.323 -8.637 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.027 2.760 -6.422 1.00 0.00 C ATOM 0 H ALA A 62 -2.356 4.440 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.267 1.606 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.572 1.929 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.293 2.842 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.289 3.685 -6.935 1.00 0.00 H new ATOM 1029 N SER A 63 -1.404 3.257 -8.576 1.00 0.00 N ATOM 1030 CA SER A 63 -0.987 3.189 -9.973 1.00 0.00 C ATOM 1031 C SER A 63 -0.381 1.832 -10.329 1.00 0.00 C ATOM 1032 O SER A 63 -0.394 1.431 -11.494 1.00 0.00 O ATOM 1033 CB SER A 63 0.021 4.300 -10.275 1.00 0.00 C ATOM 1034 OG SER A 63 0.415 4.277 -11.635 1.00 0.00 O ATOM 0 H SER A 63 -1.069 4.082 -8.078 1.00 0.00 H new ATOM 0 HA SER A 63 -1.880 3.323 -10.584 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.419 5.269 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.897 4.183 -9.638 1.00 0.00 H new ATOM 0 HG SER A 63 1.058 4.998 -11.802 1.00 0.00 H new ATOM 1040 N TYR A 64 0.157 1.127 -9.337 1.00 0.00 N ATOM 1041 CA TYR A 64 0.767 -0.177 -9.589 1.00 0.00 C ATOM 1042 C TYR A 64 0.332 -1.220 -8.561 1.00 0.00 C ATOM 1043 O TYR A 64 1.048 -2.190 -8.315 1.00 0.00 O ATOM 1044 CB TYR A 64 2.294 -0.059 -9.598 1.00 0.00 C ATOM 1045 CG TYR A 64 2.886 0.397 -8.282 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.150 -0.512 -7.264 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.188 1.735 -8.060 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.698 -0.102 -6.065 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.736 2.153 -6.862 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.989 1.231 -5.868 1.00 0.00 C ATOM 1051 OH TYR A 64 4.538 1.642 -4.675 1.00 0.00 O ATOM 0 H TYR A 64 0.184 1.431 -8.364 1.00 0.00 H new ATOM 0 HA TYR A 64 0.423 -0.511 -10.568 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.721 -1.027 -9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.589 0.642 -10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.922 -1.557 -7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.991 2.460 -8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.898 -0.822 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.965 3.197 -6.705 1.00 0.00 H new ATOM 0 HH TYR A 64 4.902 2.546 -4.777 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.845 -1.031 -7.974 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.355 -1.978 -6.986 1.00 0.00 C ATOM 1063 C ILE A 65 -2.476 -2.832 -7.571 1.00 0.00 C ATOM 1064 O ILE A 65 -3.364 -2.325 -8.258 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.876 -1.265 -5.723 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.823 -0.299 -5.179 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.258 -2.285 -4.662 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.513 -0.953 -4.901 1.00 0.00 C ATOM 0 H ILE A 65 -1.460 -0.239 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.517 -2.617 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.763 -0.691 -5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.680 0.510 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.196 0.152 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.624 -1.768 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.040 -2.938 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.384 -2.881 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.210 -0.208 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.384 -1.744 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.908 -1.379 -5.823 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.429 -4.130 -7.291 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.439 -5.058 -7.785 1.00 0.00 C ATOM 1082 C HIS A 66 -3.773 -6.108 -6.728 1.00 0.00 C ATOM 1083 O HIS A 66 -2.941 -6.948 -6.390 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.952 -5.743 -9.064 1.00 0.00 C ATOM 1085 CG HIS A 66 -4.031 -6.474 -9.799 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.666 -5.961 -10.913 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -4.589 -7.689 -9.579 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -5.567 -6.827 -11.342 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -5.540 -7.883 -10.550 1.00 0.00 N ATOM 0 H HIS A 66 -1.701 -4.564 -6.723 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.342 -4.490 -8.008 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.517 -4.993 -9.725 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.157 -6.444 -8.811 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.333 -8.377 -8.787 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.215 -6.694 -12.195 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.130 -8.709 -10.644 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.995 -6.049 -6.208 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.437 -6.993 -5.188 1.00 0.00 C ATOM 1100 C LEU A 67 -5.568 -8.399 -5.764 1.00 0.00 C ATOM 1101 O LEU A 67 -6.037 -8.579 -6.888 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.775 -6.545 -4.595 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.777 -5.134 -4.002 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -8.192 -4.715 -3.628 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -5.859 -5.064 -2.791 1.00 0.00 C ATOM 0 H LEU A 67 -5.696 -5.358 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.685 -7.014 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.536 -6.597 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.065 -7.251 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.403 -4.442 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.175 -3.709 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.822 -4.726 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.594 -5.409 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.873 -4.054 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.203 -5.767 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.843 -5.321 -3.090 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.147 -9.392 -4.987 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.216 -10.783 -5.419 1.00 0.00 C ATOM 1119 C LYS A 68 -5.932 -11.641 -4.383 1.00 0.00 C ATOM 1120 O LYS A 68 -6.186 -11.198 -3.262 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.808 -11.330 -5.668 1.00 0.00 C ATOM 1122 CG LYS A 68 -3.041 -10.570 -6.737 1.00 0.00 C ATOM 1123 CD LYS A 68 -3.055 -11.308 -8.066 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.717 -11.197 -8.780 1.00 0.00 C ATOM 1125 NZ LYS A 68 -1.419 -9.798 -9.188 1.00 0.00 N ATOM 0 H LYS A 68 -4.755 -9.259 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.784 -10.821 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.244 -11.297 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.881 -12.378 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.479 -9.580 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.011 -10.424 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.292 -12.358 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.842 -10.901 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.925 -11.560 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.722 -11.839 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.499 -9.766 -9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.161 -9.459 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.389 -9.189 -8.345 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.255 -12.873 -4.762 1.00 0.00 N ATOM 1140 CA GLU A 69 -6.940 -13.795 -3.865 1.00 0.00 C ATOM 1141 C GLU A 69 -5.954 -14.768 -3.228 1.00 0.00 C ATOM 1142 O GLU A 69 -6.237 -15.961 -3.098 1.00 0.00 O ATOM 1143 CB GLU A 69 -8.022 -14.568 -4.622 1.00 0.00 C ATOM 1144 CG GLU A 69 -7.518 -15.228 -5.897 1.00 0.00 C ATOM 1145 CD GLU A 69 -7.882 -16.697 -5.978 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -8.969 -17.010 -6.506 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -7.081 -17.533 -5.511 1.00 0.00 O ATOM 0 H GLU A 69 -6.053 -13.256 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.409 -13.211 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.437 -15.333 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.836 -13.887 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.933 -14.707 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.434 -15.123 -5.952 1.00 0.00 H new ATOM 1154 N ALA A 70 -4.795 -14.252 -2.830 1.00 0.00 N ATOM 1155 CA ALA A 70 -3.764 -15.073 -2.206 1.00 0.00 C ATOM 1156 C ALA A 70 -3.252 -16.139 -3.168 1.00 0.00 C ATOM 1157 O ALA A 70 -4.019 -16.707 -3.946 1.00 0.00 O ATOM 1158 CB ALA A 70 -4.299 -15.718 -0.935 1.00 0.00 C ATOM 0 H ALA A 70 -4.547 -13.268 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.927 -14.425 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.518 -16.328 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.607 -14.942 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.155 -16.347 -1.179 1.00 0.00 H new ATOM 1164 N ILE A 71 -1.952 -16.406 -3.109 1.00 0.00 N ATOM 1165 CA ILE A 71 -1.337 -17.405 -3.976 1.00 0.00 C ATOM 1166 C ILE A 71 -0.587 -18.454 -3.160 1.00 0.00 C ATOM 1167 O ILE A 71 0.037 -18.138 -2.147 1.00 0.00 O ATOM 1168 CB ILE A 71 -0.359 -16.757 -4.977 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -1.017 -15.558 -5.661 1.00 0.00 C ATOM 1170 CG2 ILE A 71 0.097 -17.780 -6.006 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -0.632 -14.228 -5.050 1.00 0.00 C ATOM 0 H ILE A 71 -1.304 -15.945 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.146 -17.885 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 71 0.517 -16.403 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.744 -15.557 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.100 -15.671 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.787 -17.309 -6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.599 -18.605 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.768 -18.160 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.135 -13.423 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.930 -14.209 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.447 -14.093 -5.123 1.00 0.00 H new ATOM 1183 N VAL A 72 -0.654 -19.704 -3.609 1.00 0.00 N ATOM 1184 CA VAL A 72 0.018 -20.798 -2.921 1.00 0.00 C ATOM 1185 C VAL A 72 -0.156 -22.111 -3.678 1.00 0.00 C ATOM 1186 O VAL A 72 -1.269 -22.482 -4.052 1.00 0.00 O ATOM 1187 CB VAL A 72 -0.514 -20.968 -1.483 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -1.998 -21.303 -1.494 1.00 0.00 C ATOM 1189 CG2 VAL A 72 0.277 -22.038 -0.741 1.00 0.00 C ATOM 0 H VAL A 72 -1.167 -19.983 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 72 1.077 -20.545 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.384 -20.022 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.353 -21.419 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.549 -20.498 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.157 -22.233 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.114 -22.143 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.184 -22.989 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.327 -21.749 -0.697 1.00 0.00 H new ATOM 1199 N GLU A 73 0.952 -22.809 -3.904 1.00 0.00 N ATOM 1200 CA GLU A 73 0.922 -24.081 -4.618 1.00 0.00 C ATOM 1201 C GLU A 73 0.947 -25.253 -3.642 1.00 0.00 C ATOM 1202 O GLU A 73 1.776 -25.299 -2.732 1.00 0.00 O ATOM 1203 CB GLU A 73 2.107 -24.176 -5.582 1.00 0.00 C ATOM 1204 CG GLU A 73 1.752 -23.823 -7.018 1.00 0.00 C ATOM 1205 CD GLU A 73 2.118 -24.921 -7.998 1.00 0.00 C ATOM 1206 OE1 GLU A 73 3.294 -24.974 -8.417 1.00 0.00 O ATOM 1207 OE2 GLU A 73 1.230 -25.727 -8.345 1.00 0.00 O ATOM 0 H GLU A 73 1.882 -22.516 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.005 -24.128 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.899 -23.511 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.507 -25.189 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.683 -23.623 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.266 -22.904 -7.300 1.00 0.00 H new ATOM 1214 N GLY A 74 0.035 -26.199 -3.837 1.00 0.00 N ATOM 1215 CA GLY A 74 -0.030 -27.358 -2.968 1.00 0.00 C ATOM 1216 C GLY A 74 -1.272 -28.194 -3.206 1.00 0.00 C ATOM 1217 O GLY A 74 -2.200 -27.699 -3.881 1.00 0.00 O ATOM 1218 OXT GLY A 74 -1.318 -29.344 -2.720 1.00 0.00 O ATOM 0 H GLY A 74 -0.661 -26.183 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.855 -27.975 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.010 -27.030 -1.929 1.00 0.00 H new TER 1222 GLY A 74