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 : no HD1:sc= 0.0145 X(o=0.096,f=-0.094) USER MOD Set 1.2: A 49 TYR OH : rot 71:sc= 0.0819 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 160:sc= -0.078 (180deg=-0.469) 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 -62:sc= -0.225 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.131) 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= -2.7! K(o=-2.7!,f=-0.63) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 50:sc= 1.92 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 120:sc= -1.07 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= 0.0817 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.956 USER MOD Single : A 66 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0.033) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.118 18.216 6.768 1.00 0.00 N ATOM 2 CA MET A 1 -12.611 17.193 7.720 1.00 0.00 C ATOM 3 C MET A 1 -11.873 16.077 6.988 1.00 0.00 C ATOM 4 O MET A 1 -12.491 15.240 6.329 1.00 0.00 O ATOM 5 CB MET A 1 -13.796 16.622 8.499 1.00 0.00 C ATOM 6 CG MET A 1 -14.246 17.502 9.654 1.00 0.00 C ATOM 7 SD MET A 1 -16.020 17.828 9.633 1.00 0.00 S ATOM 8 CE MET A 1 -16.590 16.686 10.888 1.00 0.00 C ATOM 0 H1 MET A 1 -13.616 18.963 7.294 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.319 18.632 6.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.774 17.770 6.096 1.00 0.00 H new ATOM 0 HA MET A 1 -11.903 17.660 8.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.633 16.477 7.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.526 15.639 8.886 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.980 17.022 10.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.707 18.448 9.616 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.672 16.770 10.992 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.331 15.668 10.598 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.115 16.924 11.840 1.00 0.00 H new ATOM 20 N THR A 2 -10.550 16.069 7.108 1.00 0.00 N ATOM 21 CA THR A 2 -9.729 15.055 6.457 1.00 0.00 C ATOM 22 C THR A 2 -9.778 13.738 7.226 1.00 0.00 C ATOM 23 O THR A 2 -9.145 13.594 8.271 1.00 0.00 O ATOM 24 CB THR A 2 -8.283 15.537 6.343 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.487 14.578 5.669 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.635 15.811 7.683 1.00 0.00 C ATOM 0 H THR A 2 -10.023 16.754 7.650 1.00 0.00 H new ATOM 0 HA THR A 2 -10.129 14.886 5.457 1.00 0.00 H new ATOM 0 HB THR A 2 -8.334 16.472 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.565 14.905 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.610 16.149 7.529 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.197 16.583 8.208 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.630 14.898 8.278 1.00 0.00 H new ATOM 34 N ARG A 3 -10.535 12.780 6.701 1.00 0.00 N ATOM 35 CA ARG A 3 -10.667 11.474 7.337 1.00 0.00 C ATOM 36 C ARG A 3 -10.378 10.354 6.342 1.00 0.00 C ATOM 37 O ARG A 3 -11.178 10.083 5.447 1.00 0.00 O ATOM 38 CB ARG A 3 -12.071 11.306 7.919 1.00 0.00 C ATOM 39 CG ARG A 3 -12.102 10.506 9.212 1.00 0.00 C ATOM 40 CD ARG A 3 -11.444 11.262 10.353 1.00 0.00 C ATOM 41 NE ARG A 3 -10.908 10.362 11.371 1.00 0.00 N ATOM 42 CZ ARG A 3 -9.990 10.717 12.267 1.00 0.00 C ATOM 43 NH1 ARG A 3 -9.503 11.952 12.276 1.00 0.00 N ATOM 44 NH2 ARG A 3 -9.557 9.835 13.158 1.00 0.00 N ATOM 0 H ARG A 3 -11.067 12.884 5.837 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.938 11.415 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.500 12.291 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.705 10.813 7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.135 10.277 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.592 9.554 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.640 11.884 9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.171 11.933 10.810 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.258 9.404 11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.832 12.635 11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.800 12.218 12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.928 8.885 13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.853 10.107 13.845 1.00 0.00 H new ATOM 58 N TRP A 4 -9.229 9.707 6.505 1.00 0.00 N ATOM 59 CA TRP A 4 -8.832 8.618 5.622 1.00 0.00 C ATOM 60 C TRP A 4 -9.699 7.382 5.854 1.00 0.00 C ATOM 61 O TRP A 4 -9.997 7.025 6.993 1.00 0.00 O ATOM 62 CB TRP A 4 -7.355 8.272 5.836 1.00 0.00 C ATOM 63 CG TRP A 4 -6.510 8.498 4.620 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.621 9.517 3.725 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.427 7.684 4.168 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.671 9.387 2.740 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.924 8.269 2.991 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.833 6.520 4.649 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.853 7.722 2.287 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.771 5.975 3.952 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.289 6.576 2.782 1.00 0.00 C ATOM 0 H TRP A 4 -8.556 9.919 7.242 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.974 8.948 4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.964 8.872 6.658 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.274 7.228 6.137 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.350 10.312 3.780 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.544 10.021 1.951 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.196 6.051 5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.481 8.184 1.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.305 5.071 4.315 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.457 6.127 2.260 1.00 0.00 H new ATOM 82 N VAL A 5 -10.099 6.736 4.763 1.00 0.00 N ATOM 83 CA VAL A 5 -10.932 5.541 4.844 1.00 0.00 C ATOM 84 C VAL A 5 -10.099 4.317 5.228 1.00 0.00 C ATOM 85 O VAL A 5 -8.980 4.145 4.747 1.00 0.00 O ATOM 86 CB VAL A 5 -11.642 5.263 3.506 1.00 0.00 C ATOM 87 CG1 VAL A 5 -12.666 4.150 3.661 1.00 0.00 C ATOM 88 CG2 VAL A 5 -12.300 6.530 2.978 1.00 0.00 C ATOM 0 H VAL A 5 -9.860 7.020 3.813 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.681 5.726 5.614 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.894 4.937 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.156 3.970 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.166 3.239 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.412 4.442 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.797 6.315 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.034 6.887 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.541 7.297 2.823 1.00 0.00 H new ATOM 98 N PRO A 6 -10.635 3.448 6.108 1.00 0.00 N ATOM 99 CA PRO A 6 -9.936 2.246 6.555 1.00 0.00 C ATOM 100 C PRO A 6 -10.139 1.056 5.616 1.00 0.00 C ATOM 101 O PRO A 6 -10.045 -0.097 6.039 1.00 0.00 O ATOM 102 CB PRO A 6 -10.585 1.973 7.907 1.00 0.00 C ATOM 103 CG PRO A 6 -11.993 2.441 7.745 1.00 0.00 C ATOM 104 CD PRO A 6 -11.962 3.573 6.744 1.00 0.00 C ATOM 0 HA PRO A 6 -8.856 2.386 6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.545 0.914 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.077 2.511 8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.632 1.631 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.401 2.778 8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.766 3.482 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.082 4.541 7.231 1.00 0.00 H new ATOM 112 N THR A 7 -10.418 1.343 4.345 1.00 0.00 N ATOM 113 CA THR A 7 -10.637 0.300 3.341 1.00 0.00 C ATOM 114 C THR A 7 -11.505 -0.831 3.891 1.00 0.00 C ATOM 115 O THR A 7 -11.082 -1.987 3.934 1.00 0.00 O ATOM 116 CB THR A 7 -9.299 -0.255 2.847 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.503 -1.384 2.015 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.369 -0.673 3.964 1.00 0.00 C ATOM 0 H THR A 7 -10.498 2.294 3.984 1.00 0.00 H new ATOM 0 HA THR A 7 -11.166 0.753 2.502 1.00 0.00 H new ATOM 0 HB THR A 7 -8.834 0.565 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.936 -2.096 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.441 -1.056 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.151 0.187 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.844 -1.452 4.561 1.00 0.00 H new ATOM 126 N LYS A 8 -12.720 -0.489 4.309 1.00 0.00 N ATOM 127 CA LYS A 8 -13.644 -1.476 4.854 1.00 0.00 C ATOM 128 C LYS A 8 -14.088 -2.456 3.774 1.00 0.00 C ATOM 129 O LYS A 8 -14.009 -2.160 2.582 1.00 0.00 O ATOM 130 CB LYS A 8 -14.864 -0.779 5.464 1.00 0.00 C ATOM 131 CG LYS A 8 -15.366 -1.439 6.738 1.00 0.00 C ATOM 132 CD LYS A 8 -16.828 -1.115 6.994 1.00 0.00 C ATOM 133 CE LYS A 8 -17.370 -1.889 8.186 1.00 0.00 C ATOM 134 NZ LYS A 8 -16.616 -1.586 9.433 1.00 0.00 N ATOM 0 H LYS A 8 -13.086 0.462 4.281 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.126 -2.034 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.610 0.259 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.669 -0.765 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.239 -2.519 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.765 -1.105 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.939 -0.045 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.415 -1.353 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.422 -1.645 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.316 -2.958 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.096 -2.025 10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.651 -1.965 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.573 -0.556 9.571 1.00 0.00 H new ATOM 148 N ARG A 9 -14.553 -3.627 4.200 1.00 0.00 N ATOM 149 CA ARG A 9 -15.008 -4.652 3.266 1.00 0.00 C ATOM 150 C ARG A 9 -13.873 -5.091 2.349 1.00 0.00 C ATOM 151 O ARG A 9 -14.102 -5.475 1.202 1.00 0.00 O ATOM 152 CB ARG A 9 -16.181 -4.130 2.434 1.00 0.00 C ATOM 153 CG ARG A 9 -17.537 -4.383 3.071 1.00 0.00 C ATOM 154 CD ARG A 9 -18.592 -4.723 2.027 1.00 0.00 C ATOM 155 NE ARG A 9 -19.607 -3.678 1.915 1.00 0.00 N ATOM 156 CZ ARG A 9 -19.434 -2.545 1.242 1.00 0.00 C ATOM 157 NH1 ARG A 9 -18.286 -2.302 0.619 1.00 0.00 N ATOM 158 NH2 ARG A 9 -20.410 -1.648 1.189 1.00 0.00 N ATOM 0 H ARG A 9 -14.625 -3.889 5.183 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.339 -5.515 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.056 -3.059 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.157 -4.601 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.456 -5.201 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.848 -3.500 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.111 -4.867 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.070 -5.667 2.289 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.502 -3.827 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.531 -2.987 0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.160 -1.431 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.294 -1.828 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.276 -0.779 0.672 1.00 0.00 H new ATOM 172 N GLU A 10 -12.647 -5.031 2.860 1.00 0.00 N ATOM 173 CA GLU A 10 -11.476 -5.422 2.085 1.00 0.00 C ATOM 174 C GLU A 10 -10.386 -5.983 2.994 1.00 0.00 C ATOM 175 O GLU A 10 -9.414 -5.299 3.312 1.00 0.00 O ATOM 176 CB GLU A 10 -10.935 -4.224 1.301 1.00 0.00 C ATOM 177 CG GLU A 10 -10.340 -4.597 -0.047 1.00 0.00 C ATOM 178 CD GLU A 10 -9.799 -3.396 -0.797 1.00 0.00 C ATOM 179 OE1 GLU A 10 -8.671 -2.961 -0.484 1.00 0.00 O ATOM 180 OE2 GLU A 10 -10.502 -2.892 -1.698 1.00 0.00 O ATOM 0 H GLU A 10 -12.439 -4.715 3.807 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.777 -6.201 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.742 -3.507 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.173 -3.723 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.538 -5.320 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.102 -5.087 -0.654 1.00 0.00 H new ATOM 187 N GLU A 11 -10.556 -7.236 3.408 1.00 0.00 N ATOM 188 CA GLU A 11 -9.587 -7.890 4.279 1.00 0.00 C ATOM 189 C GLU A 11 -8.648 -8.783 3.475 1.00 0.00 C ATOM 190 O GLU A 11 -8.196 -9.821 3.959 1.00 0.00 O ATOM 191 CB GLU A 11 -10.306 -8.716 5.347 1.00 0.00 C ATOM 192 CG GLU A 11 -11.137 -9.854 4.779 1.00 0.00 C ATOM 193 CD GLU A 11 -11.976 -10.547 5.835 1.00 0.00 C ATOM 194 OE1 GLU A 11 -12.477 -9.853 6.744 1.00 0.00 O ATOM 195 OE2 GLU A 11 -12.130 -11.783 5.754 1.00 0.00 O ATOM 0 H GLU A 11 -11.355 -7.817 3.154 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.994 -7.116 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.567 -9.125 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.954 -8.059 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.791 -9.467 3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.476 -10.583 4.310 1.00 0.00 H new ATOM 202 N LYS A 12 -8.356 -8.372 2.245 1.00 0.00 N ATOM 203 CA LYS A 12 -7.471 -9.136 1.374 1.00 0.00 C ATOM 204 C LYS A 12 -6.233 -8.322 1.008 1.00 0.00 C ATOM 205 O LYS A 12 -6.213 -7.102 1.161 1.00 0.00 O ATOM 206 CB LYS A 12 -8.212 -9.556 0.103 1.00 0.00 C ATOM 207 CG LYS A 12 -8.715 -8.385 -0.724 1.00 0.00 C ATOM 208 CD LYS A 12 -10.130 -8.623 -1.228 1.00 0.00 C ATOM 209 CE LYS A 12 -11.133 -8.638 -0.084 1.00 0.00 C ATOM 210 NZ LYS A 12 -12.216 -9.633 -0.310 1.00 0.00 N ATOM 0 H LYS A 12 -8.719 -7.514 1.829 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.152 -10.028 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.547 -10.164 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.058 -10.186 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.690 -7.477 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.048 -8.224 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.400 -7.843 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.172 -9.572 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.617 -8.868 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.569 -7.646 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.879 -9.613 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.725 -9.399 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.802 -10.584 -0.393 1.00 0.00 H new ATOM 224 N TYR A 13 -5.203 -9.008 0.524 1.00 0.00 N ATOM 225 CA TYR A 13 -3.961 -8.350 0.135 1.00 0.00 C ATOM 226 C TYR A 13 -3.730 -8.465 -1.367 1.00 0.00 C ATOM 227 O TYR A 13 -4.350 -9.288 -2.040 1.00 0.00 O ATOM 228 CB TYR A 13 -2.776 -8.954 0.893 1.00 0.00 C ATOM 229 CG TYR A 13 -2.852 -10.458 1.048 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.994 -11.285 -0.059 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.784 -11.049 2.304 1.00 0.00 C ATOM 232 CE1 TYR A 13 -3.064 -12.658 0.080 1.00 0.00 C ATOM 233 CE2 TYR A 13 -2.852 -12.421 2.452 1.00 0.00 C ATOM 234 CZ TYR A 13 -2.993 -13.221 1.337 1.00 0.00 C ATOM 235 OH TYR A 13 -3.063 -14.587 1.480 1.00 0.00 O ATOM 0 H TYR A 13 -5.204 -10.019 0.392 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.046 -7.294 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.854 -8.698 0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.719 -8.499 1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.051 -10.848 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.676 -10.425 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.174 -13.287 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.795 -12.865 3.435 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.997 -14.820 2.430 1.00 0.00 H new ATOM 245 N GLY A 14 -2.833 -7.632 -1.888 1.00 0.00 N ATOM 246 CA GLY A 14 -2.536 -7.656 -3.309 1.00 0.00 C ATOM 247 C GLY A 14 -1.046 -7.690 -3.587 1.00 0.00 C ATOM 248 O GLY A 14 -0.259 -8.106 -2.739 1.00 0.00 O ATOM 0 H GLY A 14 -2.307 -6.942 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.007 -8.529 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.972 -6.777 -3.783 1.00 0.00 H new ATOM 252 N VAL A 15 -0.660 -7.249 -4.782 1.00 0.00 N ATOM 253 CA VAL A 15 0.745 -7.230 -5.170 1.00 0.00 C ATOM 254 C VAL A 15 1.160 -5.847 -5.662 1.00 0.00 C ATOM 255 O VAL A 15 0.351 -5.107 -6.221 1.00 0.00 O ATOM 256 CB VAL A 15 1.039 -8.266 -6.272 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.528 -8.308 -6.587 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.537 -9.640 -5.861 1.00 0.00 C ATOM 0 H VAL A 15 -1.300 -6.901 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 15 1.322 -7.485 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 15 0.509 -7.965 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.714 -9.046 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.855 -7.326 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.082 -8.582 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.754 -10.358 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.036 -9.950 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.539 -9.599 -5.693 1.00 0.00 H new ATOM 268 N ALA A 16 2.427 -5.510 -5.451 1.00 0.00 N ATOM 269 CA ALA A 16 2.957 -4.218 -5.872 1.00 0.00 C ATOM 270 C ALA A 16 4.150 -4.397 -6.803 1.00 0.00 C ATOM 271 O ALA A 16 5.229 -4.798 -6.368 1.00 0.00 O ATOM 272 CB ALA A 16 3.358 -3.395 -4.658 1.00 0.00 C ATOM 0 H ALA A 16 3.107 -6.114 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 16 2.175 -3.689 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.752 -2.433 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.486 -3.234 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.123 -3.928 -4.094 1.00 0.00 H new ATOM 278 N PHE A 17 3.958 -4.098 -8.084 1.00 0.00 N ATOM 279 CA PHE A 17 5.034 -4.231 -9.056 1.00 0.00 C ATOM 280 C PHE A 17 5.635 -2.870 -9.392 1.00 0.00 C ATOM 281 O PHE A 17 5.163 -2.177 -10.295 1.00 0.00 O ATOM 282 CB PHE A 17 4.520 -4.905 -10.331 1.00 0.00 C ATOM 283 CG PHE A 17 3.204 -4.365 -10.812 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.011 -4.881 -10.330 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.159 -3.342 -11.746 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.798 -4.386 -10.772 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.949 -2.844 -12.191 1.00 0.00 C ATOM 288 CZ PHE A 17 0.767 -3.367 -11.703 1.00 0.00 C ATOM 0 H PHE A 17 3.074 -3.765 -8.470 1.00 0.00 H new ATOM 0 HA PHE A 17 5.813 -4.853 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.262 -4.784 -11.120 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.419 -5.975 -10.150 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.029 -5.678 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.080 -2.929 -12.130 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.125 -4.796 -10.389 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.927 -2.047 -12.919 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.180 -2.979 -12.049 1.00 0.00 H new ATOM 298 N TYR A 18 6.681 -2.498 -8.664 1.00 0.00 N ATOM 299 CA TYR A 18 7.352 -1.223 -8.888 1.00 0.00 C ATOM 300 C TYR A 18 8.749 -1.222 -8.275 1.00 0.00 C ATOM 301 O TYR A 18 9.141 -2.168 -7.590 1.00 0.00 O ATOM 302 CB TYR A 18 6.526 -0.076 -8.304 1.00 0.00 C ATOM 303 CG TYR A 18 6.255 1.038 -9.289 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.185 0.966 -10.172 1.00 0.00 C ATOM 305 CD2 TYR A 18 7.073 2.161 -9.338 1.00 0.00 C ATOM 306 CE1 TYR A 18 4.936 1.983 -11.075 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.829 3.181 -10.238 1.00 0.00 C ATOM 308 CZ TYR A 18 5.760 3.087 -11.103 1.00 0.00 C ATOM 309 OH TYR A 18 5.515 4.102 -12.001 1.00 0.00 O ATOM 0 H TYR A 18 7.083 -3.061 -7.914 1.00 0.00 H new ATOM 0 HA TYR A 18 7.449 -1.081 -9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.576 -0.470 -7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.049 0.334 -7.440 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.537 0.102 -10.153 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.912 2.237 -8.662 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.100 1.912 -11.755 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.473 4.048 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 18 6.187 4.806 -11.890 1.00 0.00 H new ATOM 319 N ASN A 19 9.489 -0.146 -8.514 1.00 0.00 N ATOM 320 CA ASN A 19 10.836 -0.003 -7.977 1.00 0.00 C ATOM 321 C ASN A 19 10.921 1.233 -7.087 1.00 0.00 C ATOM 322 O ASN A 19 11.731 2.130 -7.323 1.00 0.00 O ATOM 323 CB ASN A 19 11.856 0.095 -9.114 1.00 0.00 C ATOM 324 CG ASN A 19 11.886 -1.153 -9.974 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.739 -2.024 -9.795 1.00 0.00 O ATOM 326 ND2 ASN A 19 10.953 -1.247 -10.913 1.00 0.00 N ATOM 0 H ASN A 19 9.177 0.644 -9.079 1.00 0.00 H new ATOM 0 HA ASN A 19 11.066 -0.884 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.619 0.957 -9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.847 0.268 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.923 -2.065 -11.522 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.266 -0.501 -11.026 1.00 0.00 H new ATOM 333 N TYR A 20 10.068 1.276 -6.068 1.00 0.00 N ATOM 334 CA TYR A 20 10.029 2.405 -5.144 1.00 0.00 C ATOM 335 C TYR A 20 10.850 2.120 -3.891 1.00 0.00 C ATOM 336 O TYR A 20 10.912 0.984 -3.422 1.00 0.00 O ATOM 337 CB TYR A 20 8.581 2.719 -4.762 1.00 0.00 C ATOM 338 CG TYR A 20 8.413 4.007 -3.983 1.00 0.00 C ATOM 339 CD1 TYR A 20 9.195 5.121 -4.262 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.468 4.107 -2.970 1.00 0.00 C ATOM 341 CE1 TYR A 20 9.040 6.297 -3.552 1.00 0.00 C ATOM 342 CE2 TYR A 20 7.307 5.278 -2.256 1.00 0.00 C ATOM 343 CZ TYR A 20 8.095 6.371 -2.551 1.00 0.00 C ATOM 344 OH TYR A 20 7.936 7.539 -1.842 1.00 0.00 O ATOM 0 H TYR A 20 9.393 0.540 -5.861 1.00 0.00 H new ATOM 0 HA TYR A 20 10.465 3.269 -5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.981 2.775 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.186 1.894 -4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.936 5.067 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.848 3.254 -2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.656 7.154 -3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.568 5.338 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 20 7.228 7.423 -1.174 1.00 0.00 H new ATOM 354 N ASP A 21 11.477 3.162 -3.353 1.00 0.00 N ATOM 355 CA ASP A 21 12.293 3.030 -2.153 1.00 0.00 C ATOM 356 C ASP A 21 11.985 4.148 -1.161 1.00 0.00 C ATOM 357 O ASP A 21 12.223 5.322 -1.442 1.00 0.00 O ATOM 358 CB ASP A 21 13.780 3.050 -2.517 1.00 0.00 C ATOM 359 CG ASP A 21 14.161 1.921 -3.455 1.00 0.00 C ATOM 360 OD1 ASP A 21 13.528 0.847 -3.378 1.00 0.00 O ATOM 361 OD2 ASP A 21 15.093 2.112 -4.262 1.00 0.00 O ATOM 0 H ASP A 21 11.435 4.108 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 21 12.054 2.076 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.024 4.004 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.375 2.979 -1.607 1.00 0.00 H new ATOM 366 N ALA A 22 11.453 3.773 -0.003 1.00 0.00 N ATOM 367 CA ALA A 22 11.110 4.744 1.031 1.00 0.00 C ATOM 368 C ALA A 22 12.359 5.408 1.597 1.00 0.00 C ATOM 369 O ALA A 22 13.447 4.833 1.571 1.00 0.00 O ATOM 370 CB ALA A 22 10.316 4.072 2.140 1.00 0.00 C ATOM 0 H ALA A 22 11.250 2.804 0.244 1.00 0.00 H new ATOM 0 HA ALA A 22 10.494 5.521 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.066 4.807 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.399 3.652 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.913 3.275 2.583 1.00 0.00 H new ATOM 376 N ARG A 23 12.194 6.623 2.111 1.00 0.00 N ATOM 377 CA ARG A 23 13.308 7.368 2.687 1.00 0.00 C ATOM 378 C ARG A 23 13.014 7.750 4.135 1.00 0.00 C ATOM 379 O ARG A 23 13.482 8.778 4.622 1.00 0.00 O ATOM 380 CB ARG A 23 13.589 8.625 1.862 1.00 0.00 C ATOM 381 CG ARG A 23 13.788 8.348 0.381 1.00 0.00 C ATOM 382 CD ARG A 23 12.484 8.465 -0.391 1.00 0.00 C ATOM 383 NE ARG A 23 12.627 9.294 -1.586 1.00 0.00 N ATOM 384 CZ ARG A 23 13.242 8.892 -2.696 1.00 0.00 C ATOM 385 NH1 ARG A 23 13.771 7.678 -2.767 1.00 0.00 N ATOM 386 NH2 ARG A 23 13.328 9.709 -3.737 1.00 0.00 N ATOM 0 H ARG A 23 11.300 7.112 2.140 1.00 0.00 H new ATOM 0 HA ARG A 23 14.190 6.727 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.761 9.323 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.480 9.116 2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.516 9.049 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.201 7.348 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.143 7.471 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.717 8.891 0.256 1.00 0.00 H new ATOM 0 HE ARG A 23 12.233 10.235 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.708 7.047 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.241 7.376 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.923 10.644 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.799 9.403 -4.588 1.00 0.00 H new ATOM 400 N GLY A 24 12.237 6.915 4.817 1.00 0.00 N ATOM 401 CA GLY A 24 11.893 7.184 6.200 1.00 0.00 C ATOM 402 C GLY A 24 10.873 6.203 6.745 1.00 0.00 C ATOM 403 O GLY A 24 10.379 5.343 6.016 1.00 0.00 O ATOM 0 H GLY A 24 11.839 6.056 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.795 7.142 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.499 8.197 6.283 1.00 0.00 H new ATOM 407 N ALA A 25 10.558 6.331 8.030 1.00 0.00 N ATOM 408 CA ALA A 25 9.592 5.449 8.671 1.00 0.00 C ATOM 409 C ALA A 25 8.174 5.749 8.195 1.00 0.00 C ATOM 410 O ALA A 25 7.329 4.856 8.129 1.00 0.00 O ATOM 411 CB ALA A 25 9.680 5.581 10.184 1.00 0.00 C ATOM 0 H ALA A 25 10.958 7.038 8.647 1.00 0.00 H new ATOM 0 HA ALA A 25 9.833 4.423 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.953 4.916 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.683 5.311 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.468 6.611 10.472 1.00 0.00 H new ATOM 417 N ASP A 26 7.922 7.011 7.861 1.00 0.00 N ATOM 418 CA ASP A 26 6.606 7.427 7.390 1.00 0.00 C ATOM 419 C ASP A 26 6.237 6.702 6.099 1.00 0.00 C ATOM 420 O ASP A 26 5.061 6.453 5.830 1.00 0.00 O ATOM 421 CB ASP A 26 6.578 8.943 7.168 1.00 0.00 C ATOM 422 CG ASP A 26 5.604 9.644 8.093 1.00 0.00 C ATOM 423 OD1 ASP A 26 4.381 9.477 7.905 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.063 10.361 9.006 1.00 0.00 O ATOM 0 H ASP A 26 8.611 7.762 7.908 1.00 0.00 H new ATOM 0 HA ASP A 26 5.873 7.166 8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.578 9.349 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.306 9.151 6.133 1.00 0.00 H new ATOM 429 N GLU A 27 7.247 6.367 5.303 1.00 0.00 N ATOM 430 CA GLU A 27 7.028 5.670 4.040 1.00 0.00 C ATOM 431 C GLU A 27 7.613 4.262 4.085 1.00 0.00 C ATOM 432 O GLU A 27 8.312 3.898 5.031 1.00 0.00 O ATOM 433 CB GLU A 27 7.649 6.458 2.884 1.00 0.00 C ATOM 434 CG GLU A 27 6.681 7.421 2.216 1.00 0.00 C ATOM 435 CD GLU A 27 6.333 8.603 3.098 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.104 8.892 4.037 1.00 0.00 O ATOM 437 OE2 GLU A 27 5.287 9.239 2.851 1.00 0.00 O ATOM 0 H GLU A 27 8.226 6.567 5.510 1.00 0.00 H new ATOM 0 HA GLU A 27 5.953 5.591 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.507 7.018 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.025 5.758 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.119 7.783 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.768 6.888 1.952 1.00 0.00 H new ATOM 444 N LEU A 28 7.321 3.474 3.054 1.00 0.00 N ATOM 445 CA LEU A 28 7.816 2.106 2.973 1.00 0.00 C ATOM 446 C LEU A 28 8.264 1.777 1.552 1.00 0.00 C ATOM 447 O LEU A 28 7.590 2.125 0.582 1.00 0.00 O ATOM 448 CB LEU A 28 6.730 1.124 3.420 1.00 0.00 C ATOM 449 CG LEU A 28 7.082 -0.354 3.267 1.00 0.00 C ATOM 450 CD1 LEU A 28 7.682 -0.900 4.554 1.00 0.00 C ATOM 451 CD2 LEU A 28 5.852 -1.157 2.868 1.00 0.00 C ATOM 0 H LEU A 28 6.744 3.761 2.263 1.00 0.00 H new ATOM 0 HA LEU A 28 8.675 2.013 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.497 1.318 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.824 1.326 2.849 1.00 0.00 H new ATOM 0 HG LEU A 28 7.827 -0.448 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.926 -1.954 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.589 -0.346 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.962 -0.792 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.122 -2.208 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.085 -1.054 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.467 -0.785 1.918 1.00 0.00 H new ATOM 463 N SER A 29 9.405 1.105 1.438 1.00 0.00 N ATOM 464 CA SER A 29 9.943 0.729 0.135 1.00 0.00 C ATOM 465 C SER A 29 9.143 -0.419 -0.470 1.00 0.00 C ATOM 466 O SER A 29 8.643 -1.285 0.248 1.00 0.00 O ATOM 467 CB SER A 29 11.413 0.329 0.264 1.00 0.00 C ATOM 468 OG SER A 29 11.543 -0.974 0.806 1.00 0.00 O ATOM 0 H SER A 29 9.975 0.810 2.231 1.00 0.00 H new ATOM 0 HA SER A 29 9.866 1.592 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.891 0.368 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.933 1.044 0.901 1.00 0.00 H new ATOM 0 HG SER A 29 12.493 -1.206 0.876 1.00 0.00 H new ATOM 474 N LEU A 30 9.023 -0.420 -1.792 1.00 0.00 N ATOM 475 CA LEU A 30 8.281 -1.464 -2.490 1.00 0.00 C ATOM 476 C LEU A 30 9.033 -1.935 -3.730 1.00 0.00 C ATOM 477 O LEU A 30 9.581 -1.128 -4.483 1.00 0.00 O ATOM 478 CB LEU A 30 6.891 -0.955 -2.881 1.00 0.00 C ATOM 479 CG LEU A 30 5.757 -1.396 -1.952 1.00 0.00 C ATOM 480 CD1 LEU A 30 4.449 -0.734 -2.357 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.618 -2.910 -1.966 1.00 0.00 C ATOM 0 H LEU A 30 9.429 0.289 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 30 8.173 -2.312 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.914 0.134 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.666 -1.296 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 30 5.999 -1.082 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.654 -1.059 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.555 0.349 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.199 -1.017 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.808 -3.207 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.397 -3.246 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.550 -3.364 -1.628 1.00 0.00 H new ATOM 493 N GLN A 31 9.052 -3.248 -3.937 1.00 0.00 N ATOM 494 CA GLN A 31 9.732 -3.833 -5.087 1.00 0.00 C ATOM 495 C GLN A 31 8.791 -4.741 -5.870 1.00 0.00 C ATOM 496 O GLN A 31 7.744 -5.147 -5.366 1.00 0.00 O ATOM 497 CB GLN A 31 10.961 -4.623 -4.631 1.00 0.00 C ATOM 498 CG GLN A 31 12.045 -3.760 -4.010 1.00 0.00 C ATOM 499 CD GLN A 31 13.052 -4.568 -3.216 1.00 0.00 C ATOM 500 OE1 GLN A 31 14.245 -4.569 -3.521 1.00 0.00 O ATOM 501 NE2 GLN A 31 12.575 -5.263 -2.190 1.00 0.00 N ATOM 0 H GLN A 31 8.604 -3.928 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 31 10.052 -3.022 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.650 -5.377 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.378 -5.155 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.564 -3.213 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.584 -3.019 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.579 -5.233 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.205 -5.827 -1.619 1.00 0.00 H new ATOM 510 N ILE A 32 9.171 -5.057 -7.103 1.00 0.00 N ATOM 511 CA ILE A 32 8.358 -5.917 -7.954 1.00 0.00 C ATOM 512 C ILE A 32 8.416 -7.368 -7.487 1.00 0.00 C ATOM 513 O ILE A 32 9.482 -7.882 -7.155 1.00 0.00 O ATOM 514 CB ILE A 32 8.807 -5.836 -9.426 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.883 -4.376 -9.877 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.855 -6.622 -10.317 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.681 -4.173 -11.146 1.00 0.00 C ATOM 0 H ILE A 32 10.036 -4.731 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 32 7.331 -5.560 -7.879 1.00 0.00 H new ATOM 0 HB ILE A 32 9.800 -6.277 -9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.872 -3.999 -10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.328 -3.781 -9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.187 -6.554 -11.353 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.845 -7.667 -10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.850 -6.208 -10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.691 -3.114 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.703 -4.519 -10.992 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.225 -4.740 -11.957 1.00 0.00 H new ATOM 529 N GLY A 33 7.257 -8.019 -7.465 1.00 0.00 N ATOM 530 CA GLY A 33 7.192 -9.403 -7.035 1.00 0.00 C ATOM 531 C GLY A 33 6.864 -9.545 -5.560 1.00 0.00 C ATOM 532 O GLY A 33 6.694 -10.658 -5.062 1.00 0.00 O ATOM 0 H GLY A 33 6.362 -7.612 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.438 -9.926 -7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.147 -9.887 -7.239 1.00 0.00 H new ATOM 536 N ASP A 34 6.778 -8.419 -4.857 1.00 0.00 N ATOM 537 CA ASP A 34 6.471 -8.429 -3.431 1.00 0.00 C ATOM 538 C ASP A 34 4.982 -8.224 -3.188 1.00 0.00 C ATOM 539 O ASP A 34 4.320 -7.482 -3.913 1.00 0.00 O ATOM 540 CB ASP A 34 7.266 -7.335 -2.714 1.00 0.00 C ATOM 541 CG ASP A 34 8.722 -7.707 -2.524 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.374 -8.084 -3.522 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.213 -7.623 -1.379 1.00 0.00 O ATOM 0 H ASP A 34 6.917 -7.489 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 34 6.753 -9.404 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.202 -6.410 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.814 -7.140 -1.741 1.00 0.00 H new ATOM 548 N THR A 35 4.463 -8.876 -2.152 1.00 0.00 N ATOM 549 CA THR A 35 3.054 -8.755 -1.802 1.00 0.00 C ATOM 550 C THR A 35 2.861 -7.634 -0.786 1.00 0.00 C ATOM 551 O THR A 35 3.763 -7.335 -0.005 1.00 0.00 O ATOM 552 CB THR A 35 2.528 -10.073 -1.235 1.00 0.00 C ATOM 553 OG1 THR A 35 2.968 -11.168 -2.019 1.00 0.00 O ATOM 554 CG2 THR A 35 1.016 -10.135 -1.169 1.00 0.00 C ATOM 0 H THR A 35 4.998 -9.493 -1.541 1.00 0.00 H new ATOM 0 HA THR A 35 2.492 -8.517 -2.705 1.00 0.00 H new ATOM 0 HB THR A 35 2.923 -10.129 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.622 -12.002 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.709 -11.096 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.646 -9.332 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.603 -10.021 -2.171 1.00 0.00 H new ATOM 562 N VAL A 36 1.689 -7.009 -0.806 1.00 0.00 N ATOM 563 CA VAL A 36 1.403 -5.917 0.115 1.00 0.00 C ATOM 564 C VAL A 36 -0.019 -5.992 0.656 1.00 0.00 C ATOM 565 O VAL A 36 -0.966 -6.253 -0.086 1.00 0.00 O ATOM 566 CB VAL A 36 1.606 -4.549 -0.562 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.079 -4.308 -0.855 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.778 -4.456 -1.835 1.00 0.00 C ATOM 0 H VAL A 36 0.927 -7.238 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 36 2.103 -6.021 0.944 1.00 0.00 H new ATOM 0 HB VAL A 36 1.266 -3.772 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.201 -3.336 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.643 -4.327 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.450 -5.088 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.934 -3.483 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.084 -5.241 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.278 -4.577 -1.592 1.00 0.00 H new ATOM 578 N HIS A 37 -0.160 -5.747 1.956 1.00 0.00 N ATOM 579 CA HIS A 37 -1.464 -5.771 2.605 1.00 0.00 C ATOM 580 C HIS A 37 -1.899 -4.354 2.964 1.00 0.00 C ATOM 581 O HIS A 37 -1.343 -3.732 3.869 1.00 0.00 O ATOM 582 CB HIS A 37 -1.419 -6.643 3.861 1.00 0.00 C ATOM 583 CG HIS A 37 -2.729 -6.724 4.581 1.00 0.00 C ATOM 584 ND1 HIS A 37 -2.988 -6.040 5.752 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.860 -7.411 4.292 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.220 -6.306 6.151 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.769 -7.136 5.282 1.00 0.00 N ATOM 0 H HIS A 37 0.616 -5.529 2.581 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.189 -6.197 1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.103 -7.649 3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.664 -6.248 4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.017 -8.056 3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.696 -5.912 7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.716 -7.512 5.338 1.00 0.00 H new ATOM 596 N ILE A 38 -2.891 -3.844 2.239 1.00 0.00 N ATOM 597 CA ILE A 38 -3.392 -2.495 2.471 1.00 0.00 C ATOM 598 C ILE A 38 -4.328 -2.443 3.673 1.00 0.00 C ATOM 599 O ILE A 38 -5.255 -3.246 3.790 1.00 0.00 O ATOM 600 CB ILE A 38 -4.135 -1.953 1.234 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.281 -2.132 -0.025 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.496 -0.486 1.430 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.071 -2.599 -1.228 1.00 0.00 C ATOM 0 H ILE A 38 -3.363 -4.345 1.486 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.521 -1.870 2.671 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.057 -2.521 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.796 -1.185 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.489 -2.852 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.020 -0.119 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.140 -0.383 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.586 0.096 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.403 -2.704 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.534 -3.561 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.846 -1.868 -1.460 1.00 0.00 H new ATOM 615 N LEU A 39 -4.084 -1.483 4.560 1.00 0.00 N ATOM 616 CA LEU A 39 -4.905 -1.310 5.753 1.00 0.00 C ATOM 617 C LEU A 39 -5.764 -0.051 5.639 1.00 0.00 C ATOM 618 O LEU A 39 -6.777 0.083 6.326 1.00 0.00 O ATOM 619 CB LEU A 39 -4.024 -1.236 7.002 1.00 0.00 C ATOM 620 CG LEU A 39 -3.200 0.047 7.143 1.00 0.00 C ATOM 621 CD1 LEU A 39 -3.898 1.031 8.069 1.00 0.00 C ATOM 622 CD2 LEU A 39 -1.802 -0.270 7.654 1.00 0.00 C ATOM 0 H LEU A 39 -3.321 -0.811 4.474 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.565 -2.173 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.659 -1.340 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.343 -2.087 6.998 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.109 0.508 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.298 1.936 8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.877 1.283 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.020 0.580 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.231 0.654 7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.872 -0.754 8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.301 -0.937 6.952 1.00 0.00 H new ATOM 634 N GLU A 40 -5.350 0.867 4.769 1.00 0.00 N ATOM 635 CA GLU A 40 -6.077 2.114 4.560 1.00 0.00 C ATOM 636 C GLU A 40 -6.127 2.458 3.073 1.00 0.00 C ATOM 637 O GLU A 40 -5.233 2.088 2.316 1.00 0.00 O ATOM 638 CB GLU A 40 -5.413 3.252 5.341 1.00 0.00 C ATOM 639 CG GLU A 40 -6.253 3.767 6.499 1.00 0.00 C ATOM 640 CD GLU A 40 -5.425 4.053 7.736 1.00 0.00 C ATOM 641 OE1 GLU A 40 -4.560 4.953 7.676 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.641 3.379 8.764 1.00 0.00 O ATOM 0 H GLU A 40 -4.512 0.769 4.196 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.097 1.986 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.453 2.906 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.205 4.077 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.769 4.677 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.021 3.032 6.742 1.00 0.00 H new ATOM 649 N THR A 41 -7.177 3.164 2.660 1.00 0.00 N ATOM 650 CA THR A 41 -7.329 3.546 1.259 1.00 0.00 C ATOM 651 C THR A 41 -7.969 4.926 1.129 1.00 0.00 C ATOM 652 O THR A 41 -8.342 5.546 2.125 1.00 0.00 O ATOM 653 CB THR A 41 -8.171 2.509 0.514 1.00 0.00 C ATOM 654 OG1 THR A 41 -8.176 2.774 -0.877 1.00 0.00 O ATOM 655 CG2 THR A 41 -9.612 2.458 0.977 1.00 0.00 C ATOM 0 H THR A 41 -7.930 3.481 3.271 1.00 0.00 H new ATOM 0 HA THR A 41 -6.335 3.587 0.814 1.00 0.00 H new ATOM 0 HB THR A 41 -7.704 1.549 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.256 2.899 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.151 1.701 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.645 2.205 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.079 3.431 0.821 1.00 0.00 H new ATOM 663 N TYR A 42 -8.092 5.399 -0.108 1.00 0.00 N ATOM 664 CA TYR A 42 -8.687 6.704 -0.376 1.00 0.00 C ATOM 665 C TYR A 42 -8.755 6.975 -1.876 1.00 0.00 C ATOM 666 O TYR A 42 -9.838 7.015 -2.461 1.00 0.00 O ATOM 667 CB TYR A 42 -7.886 7.807 0.322 1.00 0.00 C ATOM 668 CG TYR A 42 -8.707 9.031 0.661 1.00 0.00 C ATOM 669 CD1 TYR A 42 -9.897 8.919 1.369 1.00 0.00 C ATOM 670 CD2 TYR A 42 -8.291 10.299 0.273 1.00 0.00 C ATOM 671 CE1 TYR A 42 -10.648 10.036 1.681 1.00 0.00 C ATOM 672 CE2 TYR A 42 -9.038 11.420 0.581 1.00 0.00 C ATOM 673 CZ TYR A 42 -10.215 11.284 1.286 1.00 0.00 C ATOM 674 OH TYR A 42 -10.962 12.397 1.594 1.00 0.00 O ATOM 0 H TYR A 42 -7.787 4.897 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.703 6.700 0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.453 7.405 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.056 8.103 -0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.240 7.944 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.369 10.410 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.571 9.932 2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.701 12.398 0.271 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.517 13.197 1.244 1.00 0.00 H new ATOM 684 N GLU A 43 -7.590 7.160 -2.493 1.00 0.00 N ATOM 685 CA GLU A 43 -7.510 7.428 -3.927 1.00 0.00 C ATOM 686 C GLU A 43 -6.058 7.615 -4.354 1.00 0.00 C ATOM 687 O GLU A 43 -5.465 8.670 -4.126 1.00 0.00 O ATOM 688 CB GLU A 43 -8.323 8.674 -4.285 1.00 0.00 C ATOM 689 CG GLU A 43 -8.289 9.018 -5.766 1.00 0.00 C ATOM 690 CD GLU A 43 -9.559 8.615 -6.487 1.00 0.00 C ATOM 691 OE1 GLU A 43 -10.543 9.381 -6.428 1.00 0.00 O ATOM 692 OE2 GLU A 43 -9.569 7.533 -7.111 1.00 0.00 O ATOM 0 H GLU A 43 -6.686 7.129 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.926 6.572 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.358 8.522 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.943 9.522 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.134 10.091 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.438 8.521 -6.231 1.00 0.00 H new ATOM 699 N GLY A 44 -5.485 6.583 -4.970 1.00 0.00 N ATOM 700 CA GLY A 44 -4.104 6.660 -5.410 1.00 0.00 C ATOM 701 C GLY A 44 -3.156 6.938 -4.260 1.00 0.00 C ATOM 702 O GLY A 44 -2.112 7.562 -4.441 1.00 0.00 O ATOM 0 H GLY A 44 -5.952 5.699 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.824 5.723 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.005 7.446 -6.159 1.00 0.00 H new ATOM 706 N TRP A 45 -3.533 6.476 -3.073 1.00 0.00 N ATOM 707 CA TRP A 45 -2.727 6.675 -1.874 1.00 0.00 C ATOM 708 C TRP A 45 -3.233 5.778 -0.750 1.00 0.00 C ATOM 709 O TRP A 45 -4.156 6.142 -0.021 1.00 0.00 O ATOM 710 CB TRP A 45 -2.789 8.145 -1.451 1.00 0.00 C ATOM 711 CG TRP A 45 -1.526 8.705 -0.847 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.445 9.827 -0.072 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.175 8.204 -0.961 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.147 10.058 0.302 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.650 9.082 -0.228 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.421 7.111 -1.602 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.028 8.901 -0.121 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.789 6.936 -1.493 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.577 7.826 -0.758 1.00 0.00 C ATOM 0 H TRP A 45 -4.397 5.958 -2.915 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.691 6.411 -2.088 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.050 8.744 -2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.598 8.263 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.286 10.445 0.207 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.173 10.833 0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.177 6.416 -2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.640 9.587 0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.257 6.096 -1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.642 7.660 -0.693 1.00 0.00 H new ATOM 730 N TYR A 46 -2.634 4.598 -0.625 1.00 0.00 N ATOM 731 CA TYR A 46 -3.039 3.643 0.401 1.00 0.00 C ATOM 732 C TYR A 46 -1.887 3.327 1.348 1.00 0.00 C ATOM 733 O TYR A 46 -0.720 3.499 1.000 1.00 0.00 O ATOM 734 CB TYR A 46 -3.541 2.349 -0.246 1.00 0.00 C ATOM 735 CG TYR A 46 -4.415 2.564 -1.463 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.281 3.648 -1.541 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.373 1.679 -2.532 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.081 3.843 -2.651 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.170 1.867 -3.645 1.00 0.00 C ATOM 740 CZ TYR A 46 -6.021 2.951 -3.700 1.00 0.00 C ATOM 741 OH TYR A 46 -6.816 3.140 -4.808 1.00 0.00 O ATOM 0 H TYR A 46 -1.868 4.281 -1.220 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.845 4.097 0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.682 1.742 -0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.102 1.779 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.330 4.349 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.707 0.830 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.750 4.690 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.127 1.169 -4.468 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.651 2.423 -5.455 1.00 0.00 H new ATOM 751 N ARG A 47 -2.230 2.859 2.543 1.00 0.00 N ATOM 752 CA ARG A 47 -1.232 2.511 3.548 1.00 0.00 C ATOM 753 C ARG A 47 -1.287 1.022 3.867 1.00 0.00 C ATOM 754 O ARG A 47 -2.363 0.460 4.074 1.00 0.00 O ATOM 755 CB ARG A 47 -1.454 3.326 4.824 1.00 0.00 C ATOM 756 CG ARG A 47 -0.410 3.073 5.898 1.00 0.00 C ATOM 757 CD ARG A 47 -0.848 3.629 7.242 1.00 0.00 C ATOM 758 NE ARG A 47 -1.129 5.063 7.177 1.00 0.00 N ATOM 759 CZ ARG A 47 -1.224 5.848 8.247 1.00 0.00 C ATOM 760 NH1 ARG A 47 -1.061 5.346 9.464 1.00 0.00 N ATOM 761 NH2 ARG A 47 -1.483 7.141 8.098 1.00 0.00 N ATOM 0 H ARG A 47 -3.195 2.712 2.840 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.247 2.745 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.454 4.386 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.440 3.094 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.231 2.002 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.534 3.531 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.739 3.100 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.069 3.446 7.982 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.260 5.486 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.862 4.353 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.135 5.953 10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.609 7.532 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.556 7.744 8.917 1.00 0.00 H new ATOM 775 N GLY A 48 -0.121 0.386 3.905 1.00 0.00 N ATOM 776 CA GLY A 48 -0.059 -1.032 4.200 1.00 0.00 C ATOM 777 C GLY A 48 1.355 -1.507 4.466 1.00 0.00 C ATOM 778 O GLY A 48 2.240 -0.704 4.759 1.00 0.00 O ATOM 0 H GLY A 48 0.783 0.828 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.681 -1.247 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.476 -1.593 3.363 1.00 0.00 H new ATOM 782 N TYR A 49 1.569 -2.814 4.364 1.00 0.00 N ATOM 783 CA TYR A 49 2.888 -3.391 4.596 1.00 0.00 C ATOM 784 C TYR A 49 3.064 -4.686 3.812 1.00 0.00 C ATOM 785 O TYR A 49 2.099 -5.410 3.566 1.00 0.00 O ATOM 786 CB TYR A 49 3.098 -3.653 6.088 1.00 0.00 C ATOM 787 CG TYR A 49 1.909 -4.304 6.762 1.00 0.00 C ATOM 788 CD1 TYR A 49 0.753 -3.580 7.022 1.00 0.00 C ATOM 789 CD2 TYR A 49 1.946 -5.640 7.138 1.00 0.00 C ATOM 790 CE1 TYR A 49 -0.335 -4.171 7.637 1.00 0.00 C ATOM 791 CE2 TYR A 49 0.864 -6.239 7.755 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.274 -5.500 8.000 1.00 0.00 C ATOM 793 OH TYR A 49 -1.355 -6.091 8.614 1.00 0.00 O ATOM 0 H TYR A 49 0.847 -3.493 4.123 1.00 0.00 H new ATOM 0 HA TYR A 49 3.634 -2.675 4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.972 -4.291 6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.316 -2.709 6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.703 -2.539 6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.836 -6.221 6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.228 -3.595 7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.910 -7.279 8.043 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.079 -6.204 7.964 1.00 0.00 H new ATOM 803 N THR A 50 4.301 -4.972 3.423 1.00 0.00 N ATOM 804 CA THR A 50 4.603 -6.182 2.667 1.00 0.00 C ATOM 805 C THR A 50 4.730 -7.383 3.597 1.00 0.00 C ATOM 806 O THR A 50 5.224 -7.264 4.717 1.00 0.00 O ATOM 807 CB THR A 50 5.896 -6.004 1.868 1.00 0.00 C ATOM 808 OG1 THR A 50 6.951 -5.577 2.711 1.00 0.00 O ATOM 809 CG2 THR A 50 5.774 -4.999 0.744 1.00 0.00 C ATOM 0 H THR A 50 5.111 -4.383 3.618 1.00 0.00 H new ATOM 0 HA THR A 50 3.780 -6.362 1.975 1.00 0.00 H new ATOM 0 HB THR A 50 6.104 -6.983 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.675 -6.237 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.726 -4.922 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.001 -5.324 0.047 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.506 -4.025 1.154 1.00 0.00 H new ATOM 817 N LEU A 51 4.278 -8.540 3.124 1.00 0.00 N ATOM 818 CA LEU A 51 4.342 -9.765 3.916 1.00 0.00 C ATOM 819 C LEU A 51 5.783 -10.096 4.294 1.00 0.00 C ATOM 820 O LEU A 51 6.037 -10.713 5.328 1.00 0.00 O ATOM 821 CB LEU A 51 3.723 -10.930 3.141 1.00 0.00 C ATOM 822 CG LEU A 51 2.212 -11.093 3.317 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.577 -11.609 2.034 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.909 -12.028 4.476 1.00 0.00 C ATOM 0 H LEU A 51 3.864 -8.656 2.199 1.00 0.00 H new ATOM 0 HA LEU A 51 3.775 -9.606 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.938 -10.796 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.212 -11.854 3.451 1.00 0.00 H new ATOM 0 HG LEU A 51 1.785 -10.116 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.502 -11.719 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.764 -10.902 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.009 -12.576 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.830 -12.132 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.350 -13.005 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.330 -11.618 5.394 1.00 0.00 H new ATOM 836 N ARG A 52 6.722 -9.680 3.449 1.00 0.00 N ATOM 837 CA ARG A 52 8.137 -9.933 3.698 1.00 0.00 C ATOM 838 C ARG A 52 8.609 -9.200 4.950 1.00 0.00 C ATOM 839 O ARG A 52 9.379 -9.740 5.744 1.00 0.00 O ATOM 840 CB ARG A 52 8.974 -9.497 2.492 1.00 0.00 C ATOM 841 CG ARG A 52 8.999 -10.520 1.368 1.00 0.00 C ATOM 842 CD ARG A 52 8.016 -10.162 0.265 1.00 0.00 C ATOM 843 NE ARG A 52 7.348 -11.344 -0.277 1.00 0.00 N ATOM 844 CZ ARG A 52 7.907 -12.171 -1.159 1.00 0.00 C ATOM 845 NH1 ARG A 52 9.139 -11.951 -1.597 1.00 0.00 N ATOM 846 NH2 ARG A 52 7.231 -13.223 -1.600 1.00 0.00 N ATOM 0 H ARG A 52 6.529 -9.168 2.588 1.00 0.00 H new ATOM 0 HA ARG A 52 8.267 -11.004 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.580 -8.556 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.996 -9.304 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.005 -10.582 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.757 -11.505 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.269 -9.470 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.543 -9.644 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 52 6.399 -11.547 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.664 -11.145 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.562 -12.588 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.284 -13.398 -1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.658 -13.857 -2.275 1.00 0.00 H new ATOM 860 N LYS A 53 8.139 -7.970 5.121 1.00 0.00 N ATOM 861 CA LYS A 53 8.511 -7.162 6.278 1.00 0.00 C ATOM 862 C LYS A 53 7.298 -6.427 6.840 1.00 0.00 C ATOM 863 O LYS A 53 7.078 -5.254 6.543 1.00 0.00 O ATOM 864 CB LYS A 53 9.599 -6.156 5.896 1.00 0.00 C ATOM 865 CG LYS A 53 9.234 -5.286 4.705 1.00 0.00 C ATOM 866 CD LYS A 53 9.692 -3.848 4.898 1.00 0.00 C ATOM 867 CE LYS A 53 10.452 -3.334 3.686 1.00 0.00 C ATOM 868 NZ LYS A 53 11.294 -2.153 4.018 1.00 0.00 N ATOM 0 H LYS A 53 7.499 -7.510 4.473 1.00 0.00 H new ATOM 0 HA LYS A 53 8.898 -7.830 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.806 -5.515 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.519 -6.696 5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.689 -5.695 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.154 -5.307 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.826 -3.212 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.328 -3.784 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.083 -4.129 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.745 -3.066 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.033 -2.039 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.700 -1.299 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.738 -2.294 4.948 1.00 0.00 H new ATOM 882 N LYS A 54 6.515 -7.128 7.654 1.00 0.00 N ATOM 883 CA LYS A 54 5.325 -6.542 8.259 1.00 0.00 C ATOM 884 C LYS A 54 5.694 -5.570 9.375 1.00 0.00 C ATOM 885 O LYS A 54 4.908 -4.693 9.733 1.00 0.00 O ATOM 886 CB LYS A 54 4.414 -7.643 8.809 1.00 0.00 C ATOM 887 CG LYS A 54 3.961 -8.640 7.754 1.00 0.00 C ATOM 888 CD LYS A 54 2.949 -9.625 8.316 1.00 0.00 C ATOM 889 CE LYS A 54 1.914 -10.016 7.274 1.00 0.00 C ATOM 890 NZ LYS A 54 0.670 -10.545 7.899 1.00 0.00 N ATOM 0 H LYS A 54 6.683 -8.101 7.909 1.00 0.00 H new ATOM 0 HA LYS A 54 4.794 -5.988 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.940 -8.177 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.536 -7.184 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.521 -8.106 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.825 -9.183 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.466 -10.517 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.450 -9.183 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.671 -9.149 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.335 -10.770 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.011 -10.800 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.897 -11.388 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.254 -9.817 8.514 1.00 0.00 H new ATOM 904 N SER A 55 6.896 -5.729 9.924 1.00 0.00 N ATOM 905 CA SER A 55 7.368 -4.864 11.002 1.00 0.00 C ATOM 906 C SER A 55 7.284 -3.393 10.602 1.00 0.00 C ATOM 907 O SER A 55 6.924 -2.539 11.414 1.00 0.00 O ATOM 908 CB SER A 55 8.807 -5.220 11.377 1.00 0.00 C ATOM 909 OG SER A 55 9.346 -4.279 12.287 1.00 0.00 O ATOM 0 H SER A 55 7.561 -6.449 9.640 1.00 0.00 H new ATOM 0 HA SER A 55 6.723 -5.023 11.867 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.835 -6.215 11.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.422 -5.254 10.478 1.00 0.00 H new ATOM 0 HG SER A 55 10.266 -4.531 12.511 1.00 0.00 H new ATOM 915 N LYS A 56 7.620 -3.104 9.350 1.00 0.00 N ATOM 916 CA LYS A 56 7.582 -1.735 8.845 1.00 0.00 C ATOM 917 C LYS A 56 6.279 -1.465 8.098 1.00 0.00 C ATOM 918 O LYS A 56 5.696 -2.369 7.501 1.00 0.00 O ATOM 919 CB LYS A 56 8.775 -1.477 7.925 1.00 0.00 C ATOM 920 CG LYS A 56 9.196 -0.016 7.868 1.00 0.00 C ATOM 921 CD LYS A 56 10.698 0.142 8.039 1.00 0.00 C ATOM 922 CE LYS A 56 11.394 0.328 6.701 1.00 0.00 C ATOM 923 NZ LYS A 56 12.877 0.303 6.838 1.00 0.00 N ATOM 0 H LYS A 56 7.922 -3.798 8.666 1.00 0.00 H new ATOM 0 HA LYS A 56 7.636 -1.058 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.620 -2.077 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.527 -1.814 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.891 0.414 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.680 0.542 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.904 0.999 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.102 -0.736 8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.079 -0.459 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.086 1.276 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.314 0.433 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.180 1.070 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.174 -0.611 7.235 1.00 0.00 H new ATOM 937 N LYS A 57 5.833 -0.213 8.135 1.00 0.00 N ATOM 938 CA LYS A 57 4.602 0.179 7.460 1.00 0.00 C ATOM 939 C LYS A 57 4.825 1.421 6.603 1.00 0.00 C ATOM 940 O LYS A 57 5.703 2.234 6.888 1.00 0.00 O ATOM 941 CB LYS A 57 3.496 0.446 8.485 1.00 0.00 C ATOM 942 CG LYS A 57 2.726 -0.802 8.886 1.00 0.00 C ATOM 943 CD LYS A 57 3.089 -1.257 10.291 1.00 0.00 C ATOM 944 CE LYS A 57 2.499 -2.621 10.607 1.00 0.00 C ATOM 945 NZ LYS A 57 1.929 -2.676 11.981 1.00 0.00 N ATOM 0 H LYS A 57 6.306 0.546 8.625 1.00 0.00 H new ATOM 0 HA LYS A 57 4.296 -0.641 6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.937 0.893 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.799 1.177 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.656 -0.603 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.937 -1.603 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.174 -1.297 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.728 -0.527 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.720 -2.856 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.271 -3.383 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.537 -3.623 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.677 -2.477 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.174 -1.966 12.072 1.00 0.00 H new ATOM 959 N GLY A 58 4.024 1.562 5.551 1.00 0.00 N ATOM 960 CA GLY A 58 4.154 2.708 4.671 1.00 0.00 C ATOM 961 C GLY A 58 2.978 2.854 3.726 1.00 0.00 C ATOM 962 O GLY A 58 1.988 2.131 3.837 1.00 0.00 O ATOM 0 H GLY A 58 3.289 0.904 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.248 3.613 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.072 2.614 4.091 1.00 0.00 H new ATOM 966 N ILE A 59 3.090 3.791 2.790 1.00 0.00 N ATOM 967 CA ILE A 59 2.031 4.032 1.815 1.00 0.00 C ATOM 968 C ILE A 59 2.572 3.942 0.394 1.00 0.00 C ATOM 969 O ILE A 59 3.768 4.122 0.162 1.00 0.00 O ATOM 970 CB ILE A 59 1.378 5.414 2.019 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.446 6.469 2.320 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.352 5.353 3.142 1.00 0.00 C ATOM 973 CD1 ILE A 59 1.877 7.839 2.622 1.00 0.00 C ATOM 0 H ILE A 59 3.904 4.397 2.686 1.00 0.00 H new ATOM 0 HA ILE A 59 1.276 3.260 1.967 1.00 0.00 H new ATOM 0 HB ILE A 59 0.866 5.697 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.043 6.137 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.120 6.545 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.101 6.336 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.422 4.628 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.843 5.052 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.691 8.534 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.304 8.192 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.225 7.778 3.494 1.00 0.00 H new ATOM 985 N PHE A 60 1.687 3.658 -0.557 1.00 0.00 N ATOM 986 CA PHE A 60 2.085 3.542 -1.955 1.00 0.00 C ATOM 987 C PHE A 60 0.932 3.900 -2.888 1.00 0.00 C ATOM 988 O PHE A 60 -0.235 3.740 -2.533 1.00 0.00 O ATOM 989 CB PHE A 60 2.567 2.121 -2.250 1.00 0.00 C ATOM 990 CG PHE A 60 1.583 1.058 -1.846 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.351 0.959 -2.476 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.888 0.160 -0.837 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.555 -0.015 -2.106 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.984 -0.816 -0.464 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.239 -0.903 -1.100 1.00 0.00 C ATOM 0 H PHE A 60 0.693 3.505 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 60 2.900 4.244 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.771 2.029 -3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.509 1.950 -1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.098 1.652 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.843 0.223 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.511 -0.081 -2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.234 -1.511 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.947 -1.665 -0.810 1.00 0.00 H new ATOM 1005 N PRO A 61 1.245 4.387 -4.103 1.00 0.00 N ATOM 1006 CA PRO A 61 0.231 4.761 -5.090 1.00 0.00 C ATOM 1007 C PRO A 61 -0.477 3.541 -5.674 1.00 0.00 C ATOM 1008 O PRO A 61 0.148 2.513 -5.934 1.00 0.00 O ATOM 1009 CB PRO A 61 1.026 5.490 -6.187 1.00 0.00 C ATOM 1010 CG PRO A 61 2.395 5.698 -5.627 1.00 0.00 C ATOM 1011 CD PRO A 61 2.603 4.609 -4.615 1.00 0.00 C ATOM 0 HA PRO A 61 -0.555 5.373 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.063 4.898 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.559 6.441 -6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.149 5.648 -6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.481 6.681 -5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.018 3.709 -5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.289 4.915 -3.825 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.783 3.664 -5.879 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.578 2.572 -6.435 1.00 0.00 C ATOM 1021 C ALA A 62 -2.260 2.338 -7.911 1.00 0.00 C ATOM 1022 O ALA A 62 -2.701 1.351 -8.500 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.060 2.864 -6.258 1.00 0.00 C ATOM 0 H ALA A 62 -2.315 4.508 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.321 1.662 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.645 2.044 -6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.286 2.967 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.313 3.790 -6.775 1.00 0.00 H new ATOM 1029 N SER A 63 -1.501 3.255 -8.508 1.00 0.00 N ATOM 1030 CA SER A 63 -1.134 3.152 -9.919 1.00 0.00 C ATOM 1031 C SER A 63 -0.553 1.780 -10.258 1.00 0.00 C ATOM 1032 O SER A 63 -0.613 1.344 -11.408 1.00 0.00 O ATOM 1033 CB SER A 63 -0.124 4.243 -10.281 1.00 0.00 C ATOM 1034 OG SER A 63 -0.305 5.394 -9.473 1.00 0.00 O ATOM 0 H SER A 63 -1.128 4.079 -8.036 1.00 0.00 H new ATOM 0 HA SER A 63 -2.044 3.284 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.889 3.862 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.235 4.511 -11.332 1.00 0.00 H new ATOM 0 HG SER A 63 0.353 6.076 -9.723 1.00 0.00 H new ATOM 1040 N TYR A 64 0.013 1.104 -9.262 1.00 0.00 N ATOM 1041 CA TYR A 64 0.604 -0.213 -9.484 1.00 0.00 C ATOM 1042 C TYR A 64 0.228 -1.194 -8.376 1.00 0.00 C ATOM 1043 O TYR A 64 1.071 -1.948 -7.891 1.00 0.00 O ATOM 1044 CB TYR A 64 2.126 -0.101 -9.587 1.00 0.00 C ATOM 1045 CG TYR A 64 2.778 0.500 -8.361 1.00 0.00 C ATOM 1046 CD1 TYR A 64 2.948 1.873 -8.244 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.225 -0.308 -7.321 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.545 2.425 -7.126 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.823 0.237 -6.201 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.982 1.603 -6.108 1.00 0.00 C ATOM 1051 OH TYR A 64 4.578 2.151 -4.994 1.00 0.00 O ATOM 0 H TYR A 64 0.075 1.442 -8.302 1.00 0.00 H new ATOM 0 HA TYR A 64 0.205 -0.598 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.543 -1.093 -9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.378 0.507 -10.456 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.608 2.520 -9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.103 -1.379 -7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.669 3.495 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.164 -0.404 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 64 4.827 1.436 -4.371 1.00 0.00 H new ATOM 1061 N ILE A 65 -1.041 -1.191 -7.982 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.512 -2.091 -6.937 1.00 0.00 C ATOM 1063 C ILE A 65 -2.669 -2.952 -7.431 1.00 0.00 C ATOM 1064 O ILE A 65 -3.678 -2.438 -7.914 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.960 -1.324 -5.681 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.916 -0.273 -5.296 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.195 -2.288 -4.529 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.430 -0.865 -4.935 1.00 0.00 C ATOM 0 H ILE A 65 -1.759 -0.578 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.669 -2.731 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.897 -0.813 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.788 0.422 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.289 0.305 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.511 -1.731 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.971 -3.002 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.271 -2.823 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.121 -0.064 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.315 -1.538 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.824 -1.420 -5.787 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.514 -4.267 -7.309 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.545 -5.202 -7.743 1.00 0.00 C ATOM 1082 C HIS A 66 -3.877 -6.198 -6.637 1.00 0.00 C ATOM 1083 O HIS A 66 -3.013 -6.947 -6.182 1.00 0.00 O ATOM 1084 CB HIS A 66 -3.089 -5.951 -8.997 1.00 0.00 C ATOM 1085 CG HIS A 66 -4.219 -6.500 -9.812 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.351 -6.275 -11.165 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -5.273 -7.272 -9.456 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -5.437 -6.883 -11.607 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -6.014 -7.495 -10.591 1.00 0.00 N ATOM 0 H HIS A 66 -1.684 -4.708 -6.913 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.443 -4.630 -7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.498 -5.277 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.433 -6.770 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.490 -7.643 -8.465 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.792 -6.880 -12.627 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.872 -8.045 -10.640 1.00 0.00 H new ATOM 1098 N LEU A 67 -5.136 -6.199 -6.207 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.582 -7.102 -5.151 1.00 0.00 C ATOM 1100 C LEU A 67 -5.830 -8.503 -5.703 1.00 0.00 C ATOM 1101 O LEU A 67 -6.483 -8.669 -6.733 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.856 -6.564 -4.498 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.735 -5.165 -3.894 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -8.099 -4.646 -3.472 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -5.775 -5.176 -2.714 1.00 0.00 C ATOM 0 H LEU A 67 -5.864 -5.586 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.795 -7.162 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.651 -6.553 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.164 -7.256 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.335 -4.494 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.993 -3.649 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.756 -4.600 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.529 -5.316 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.701 -4.172 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.145 -5.860 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.791 -5.503 -3.049 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.304 -9.506 -5.008 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.470 -10.894 -5.426 1.00 0.00 C ATOM 1119 C LYS A 68 -6.577 -11.575 -4.629 1.00 0.00 C ATOM 1120 O LYS A 68 -7.054 -11.039 -3.628 1.00 0.00 O ATOM 1121 CB LYS A 68 -4.156 -11.659 -5.254 1.00 0.00 C ATOM 1122 CG LYS A 68 -3.009 -11.094 -6.076 1.00 0.00 C ATOM 1123 CD LYS A 68 -2.854 -11.830 -7.397 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.391 -12.017 -7.762 1.00 0.00 C ATOM 1125 NZ LYS A 68 -1.222 -12.454 -9.175 1.00 0.00 N ATOM 0 H LYS A 68 -4.760 -9.384 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.752 -10.899 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.876 -11.650 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.313 -12.701 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.184 -10.035 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.082 -11.167 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.341 -12.803 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.359 -11.273 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.855 -11.081 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.943 -12.756 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.210 -12.570 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.711 -13.360 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.627 -11.737 -9.811 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.979 -12.760 -5.076 1.00 0.00 N ATOM 1140 CA GLU A 69 -8.030 -13.514 -4.402 1.00 0.00 C ATOM 1141 C GLU A 69 -7.531 -14.076 -3.075 1.00 0.00 C ATOM 1142 O GLU A 69 -6.964 -15.168 -3.026 1.00 0.00 O ATOM 1143 CB GLU A 69 -8.524 -14.652 -5.297 1.00 0.00 C ATOM 1144 CG GLU A 69 -7.404 -15.491 -5.889 1.00 0.00 C ATOM 1145 CD GLU A 69 -7.722 -16.973 -5.887 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -7.899 -17.540 -4.788 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -7.792 -17.567 -6.983 1.00 0.00 O ATOM 0 H GLU A 69 -6.593 -13.219 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.858 -12.834 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.183 -15.298 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.120 -14.233 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.213 -15.166 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.488 -15.319 -5.323 1.00 0.00 H new ATOM 1154 N ALA A 70 -7.744 -13.322 -2.002 1.00 0.00 N ATOM 1155 CA ALA A 70 -7.315 -13.745 -0.674 1.00 0.00 C ATOM 1156 C ALA A 70 -8.310 -14.727 -0.063 1.00 0.00 C ATOM 1157 O ALA A 70 -9.460 -14.376 0.200 1.00 0.00 O ATOM 1158 CB ALA A 70 -7.139 -12.536 0.231 1.00 0.00 C ATOM 0 H ALA A 70 -8.211 -12.415 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.356 -14.255 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.819 -12.865 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.386 -11.871 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.086 -12.004 0.315 1.00 0.00 H new ATOM 1164 N ILE A 71 -7.859 -15.955 0.162 1.00 0.00 N ATOM 1165 CA ILE A 71 -8.708 -16.987 0.743 1.00 0.00 C ATOM 1166 C ILE A 71 -9.029 -16.679 2.201 1.00 0.00 C ATOM 1167 O ILE A 71 -8.179 -16.186 2.942 1.00 0.00 O ATOM 1168 CB ILE A 71 -8.046 -18.376 0.658 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -7.512 -18.629 -0.755 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -9.036 -19.460 1.060 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -6.002 -18.591 -0.845 1.00 0.00 C ATOM 0 H ILE A 71 -6.909 -16.260 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.631 -16.997 0.164 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.205 -18.404 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.864 -19.601 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.927 -17.882 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.554 -20.435 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.369 -19.287 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.895 -19.435 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.694 -18.778 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.643 -17.611 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.579 -19.357 -0.195 1.00 0.00 H new ATOM 1183 N VAL A 72 -10.259 -16.973 2.606 1.00 0.00 N ATOM 1184 CA VAL A 72 -10.692 -16.728 3.976 1.00 0.00 C ATOM 1185 C VAL A 72 -11.443 -17.929 4.540 1.00 0.00 C ATOM 1186 O VAL A 72 -12.338 -17.780 5.372 1.00 0.00 O ATOM 1187 CB VAL A 72 -11.596 -15.484 4.066 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -10.773 -14.213 3.925 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -12.689 -15.542 3.008 1.00 0.00 C ATOM 0 H VAL A 72 -10.974 -17.382 2.005 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.791 -16.557 4.565 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.071 -15.473 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.429 -13.345 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.032 -14.169 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.267 -14.212 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -13.318 -14.655 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -12.235 -15.579 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -13.297 -16.433 3.162 1.00 0.00 H new ATOM 1199 N GLU A 73 -11.072 -19.121 4.081 1.00 0.00 N ATOM 1200 CA GLU A 73 -11.710 -20.349 4.539 1.00 0.00 C ATOM 1201 C GLU A 73 -10.765 -21.157 5.422 1.00 0.00 C ATOM 1202 O GLU A 73 -9.544 -21.051 5.301 1.00 0.00 O ATOM 1203 CB GLU A 73 -12.158 -21.192 3.344 1.00 0.00 C ATOM 1204 CG GLU A 73 -13.566 -20.874 2.867 1.00 0.00 C ATOM 1205 CD GLU A 73 -13.578 -20.053 1.594 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -13.215 -18.861 1.653 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -13.952 -20.603 0.536 1.00 0.00 O ATOM 0 H GLU A 73 -10.333 -19.261 3.392 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.584 -20.076 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.461 -21.038 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.105 -22.247 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.108 -21.805 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.097 -20.332 3.650 1.00 0.00 H new ATOM 1214 N GLY A 74 -11.335 -21.965 6.309 1.00 0.00 N ATOM 1215 CA GLY A 74 -10.527 -22.778 7.199 1.00 0.00 C ATOM 1216 C GLY A 74 -9.867 -21.963 8.293 1.00 0.00 C ATOM 1217 O GLY A 74 -10.274 -20.798 8.491 1.00 0.00 O ATOM 1218 OXT GLY A 74 -8.945 -22.488 8.951 1.00 0.00 O ATOM 0 H GLY A 74 -12.342 -22.072 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.153 -23.547 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.759 -23.291 6.620 1.00 0.00 H new TER 1222 GLY A 74