USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 60 THR OG1 : rot 180:sc= -1.32! USER MOD Set 1.2: A 61 GLN : amide:sc= -6.58! C(o=-7.9!,f=-14!) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.585 K(o=-3.6,f=-17!) USER MOD Set 2.2: A 58 ASN : amide:sc= -4.2! C(o=-3.6!,f=-9.6!) USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= 0.0089 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.0289 (180deg=-0.383) USER MOD Single : A 9 GLN : amide:sc= -0.0282 K(o=-0.028,f=-1.8!) USER MOD Single : A 11 ASN : amide:sc= -1.1 K(o=-1.1,f=-7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -3:sc= 1.16 USER MOD Single : A 17 CYS SG : rot 43:sc= 0.583 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 9:sc= 0.704 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.778 USER MOD Single : A 57 ASN : amide:sc= -0.188 X(o=-0.19,f=0.047) USER MOD Single : A 62 THR OG1 : rot -139:sc= -2.52! USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= -10.3! (180deg=-10.9!) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 69 THR OG1 : rot 110:sc= -0.188 USER MOD Single : A 70 HIS : no HD1:sc= -0.0489 X(o=-0.049,f=-0.068) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 13.196 -2.098 -3.369 1.00 0.00 N ATOM 21 CA GLU A 2 11.941 -2.074 -4.171 1.00 0.00 C ATOM 22 C GLU A 2 11.009 -3.191 -3.696 1.00 0.00 C ATOM 23 O GLU A 2 11.386 -4.345 -3.643 1.00 0.00 O ATOM 24 CB GLU A 2 12.276 -2.283 -5.649 1.00 0.00 C ATOM 25 CG GLU A 2 13.173 -1.144 -6.137 1.00 0.00 C ATOM 26 CD GLU A 2 14.580 -1.320 -5.562 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.073 -2.436 -5.586 1.00 0.00 O ATOM 28 OE2 GLU A 2 15.139 -0.336 -5.106 1.00 0.00 O ATOM 0 HA GLU A 2 11.447 -1.111 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.779 -3.240 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.360 -2.317 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.212 -1.139 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.760 -0.184 -5.828 1.00 0.00 H new ATOM 35 N TRP A 3 9.792 -2.857 -3.351 1.00 0.00 N ATOM 36 CA TRP A 3 8.827 -3.897 -2.880 1.00 0.00 C ATOM 37 C TRP A 3 7.935 -4.324 -4.045 1.00 0.00 C ATOM 38 O TRP A 3 8.068 -3.839 -5.152 1.00 0.00 O ATOM 39 CB TRP A 3 7.955 -3.314 -1.765 1.00 0.00 C ATOM 40 CG TRP A 3 8.825 -2.785 -0.669 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.659 -1.726 -0.782 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.958 -3.268 0.699 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.297 -1.529 0.430 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.899 -2.454 1.374 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.360 -4.321 1.413 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.234 -2.679 2.710 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.695 -4.550 2.758 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.631 -3.730 3.404 1.00 0.00 C ATOM 0 H TRP A 3 9.424 -1.906 -3.375 1.00 0.00 H new ATOM 0 HA TRP A 3 9.376 -4.759 -2.502 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.327 -2.516 -2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.287 -4.081 -1.374 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.803 -1.132 -1.672 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.978 -0.790 0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.638 -4.958 0.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.955 -2.044 3.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.229 -5.362 3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.885 -3.911 4.438 1.00 0.00 H new ATOM 59 N TRP A 4 7.023 -5.229 -3.808 1.00 0.00 N ATOM 60 CA TRP A 4 6.115 -5.690 -4.900 1.00 0.00 C ATOM 61 C TRP A 4 4.753 -6.042 -4.301 1.00 0.00 C ATOM 62 O TRP A 4 4.651 -6.863 -3.411 1.00 0.00 O ATOM 63 CB TRP A 4 6.713 -6.928 -5.571 1.00 0.00 C ATOM 64 CG TRP A 4 7.963 -6.547 -6.297 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.200 -6.510 -5.748 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.121 -6.148 -7.690 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.106 -6.114 -6.715 1.00 0.00 N ATOM 68 CE2 TRP A 4 9.490 -5.879 -7.928 1.00 0.00 C ATOM 69 CE3 TRP A 4 7.219 -5.996 -8.758 1.00 0.00 C ATOM 70 CZ2 TRP A 4 9.947 -5.475 -9.183 1.00 0.00 C ATOM 71 CZ3 TRP A 4 7.676 -5.587 -10.021 1.00 0.00 C ATOM 72 CH2 TRP A 4 9.037 -5.328 -10.233 1.00 0.00 C ATOM 0 H TRP A 4 6.867 -5.671 -2.902 1.00 0.00 H new ATOM 0 HA TRP A 4 5.998 -4.899 -5.641 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.932 -7.690 -4.823 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.994 -7.361 -6.266 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.440 -6.750 -4.723 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.107 -6.008 -6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.168 -6.195 -8.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.997 -5.277 -9.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.975 -5.471 -10.834 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.382 -5.015 -11.207 1.00 0.00 H new ATOM 83 N VAL A 5 3.704 -5.426 -4.774 1.00 0.00 N ATOM 84 CA VAL A 5 2.357 -5.728 -4.218 1.00 0.00 C ATOM 85 C VAL A 5 1.900 -7.111 -4.691 1.00 0.00 C ATOM 86 O VAL A 5 2.015 -7.452 -5.851 1.00 0.00 O ATOM 87 CB VAL A 5 1.359 -4.671 -4.693 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.832 -3.286 -4.254 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.260 -4.711 -6.218 1.00 0.00 C ATOM 0 H VAL A 5 3.722 -4.729 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 5 2.407 -5.718 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 5 0.381 -4.877 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.120 -2.534 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.904 -3.254 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.811 -3.081 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.549 -3.958 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.239 -4.506 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.922 -5.698 -6.535 1.00 0.00 H new ATOM 99 N LYS A 6 1.379 -7.910 -3.794 1.00 0.00 N ATOM 100 CA LYS A 6 0.902 -9.277 -4.174 1.00 0.00 C ATOM 101 C LYS A 6 -0.621 -9.256 -4.309 1.00 0.00 C ATOM 102 O LYS A 6 -1.199 -9.997 -5.079 1.00 0.00 O ATOM 103 CB LYS A 6 1.301 -10.274 -3.083 1.00 0.00 C ATOM 104 CG LYS A 6 0.935 -11.692 -3.528 1.00 0.00 C ATOM 105 CD LYS A 6 1.330 -12.688 -2.436 1.00 0.00 C ATOM 106 CE LYS A 6 0.912 -14.098 -2.855 1.00 0.00 C ATOM 107 NZ LYS A 6 1.311 -15.070 -1.797 1.00 0.00 N ATOM 0 H LYS A 6 1.263 -7.673 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 6 1.352 -9.574 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.371 -10.207 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.792 -10.031 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.135 -11.758 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.446 -11.936 -4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.406 -12.651 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.851 -12.420 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.166 -14.138 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.382 -14.362 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.911 -15.810 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.840 -14.574 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.460 -15.505 -1.386 1.00 0.00 H new ATOM 121 N LYS A 7 -1.275 -8.407 -3.562 1.00 0.00 N ATOM 122 CA LYS A 7 -2.762 -8.323 -3.636 1.00 0.00 C ATOM 123 C LYS A 7 -3.200 -6.913 -3.232 1.00 0.00 C ATOM 124 O LYS A 7 -2.436 -6.156 -2.669 1.00 0.00 O ATOM 125 CB LYS A 7 -3.377 -9.349 -2.678 1.00 0.00 C ATOM 126 CG LYS A 7 -4.859 -9.545 -3.012 1.00 0.00 C ATOM 127 CD LYS A 7 -5.427 -10.677 -2.156 1.00 0.00 C ATOM 128 CE LYS A 7 -6.929 -10.810 -2.416 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.635 -9.622 -1.861 1.00 0.00 N ATOM 0 H LYS A 7 -0.840 -7.764 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.097 -8.534 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.848 -10.298 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.268 -9.010 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.410 -8.623 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.977 -9.780 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.922 -11.614 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.247 -10.475 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.118 -10.892 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.310 -11.721 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.644 -9.842 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.223 -9.373 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.531 -8.820 -2.515 1.00 0.00 H new ATOM 143 N VAL A 8 -4.421 -6.550 -3.518 1.00 0.00 N ATOM 144 CA VAL A 8 -4.888 -5.184 -3.148 1.00 0.00 C ATOM 145 C VAL A 8 -6.416 -5.127 -3.172 1.00 0.00 C ATOM 146 O VAL A 8 -7.067 -5.871 -3.881 1.00 0.00 O ATOM 147 CB VAL A 8 -4.320 -4.167 -4.143 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.636 -4.619 -5.570 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.948 -2.791 -3.891 1.00 0.00 C ATOM 0 H VAL A 8 -5.111 -7.136 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.541 -4.947 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.240 -4.099 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.232 -3.896 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.185 -5.595 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.716 -4.689 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.542 -2.070 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.029 -2.856 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.721 -2.468 -2.875 1.00 0.00 H new ATOM 159 N GLN A 9 -6.988 -4.238 -2.402 1.00 0.00 N ATOM 160 CA GLN A 9 -8.477 -4.098 -2.360 1.00 0.00 C ATOM 161 C GLN A 9 -8.835 -2.611 -2.404 1.00 0.00 C ATOM 162 O GLN A 9 -8.396 -1.834 -1.579 1.00 0.00 O ATOM 163 CB GLN A 9 -9.010 -4.716 -1.064 1.00 0.00 C ATOM 164 CG GLN A 9 -8.341 -6.072 -0.832 1.00 0.00 C ATOM 165 CD GLN A 9 -9.023 -6.783 0.339 1.00 0.00 C ATOM 166 OE1 GLN A 9 -10.165 -6.509 0.650 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.364 -7.691 1.006 1.00 0.00 N ATOM 0 H GLN A 9 -6.482 -3.595 -1.793 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.923 -4.611 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.811 -4.052 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.091 -4.838 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.410 -6.683 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.281 -5.935 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.405 -7.921 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.808 -8.171 1.789 1.00 0.00 H new ATOM 176 N ASP A 10 -9.623 -2.205 -3.362 1.00 0.00 N ATOM 177 CA ASP A 10 -9.999 -0.766 -3.456 1.00 0.00 C ATOM 178 C ASP A 10 -10.626 -0.310 -2.138 1.00 0.00 C ATOM 179 O ASP A 10 -10.886 -1.103 -1.255 1.00 0.00 O ATOM 180 CB ASP A 10 -11.003 -0.574 -4.594 1.00 0.00 C ATOM 181 CG ASP A 10 -12.221 -1.467 -4.357 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.142 -2.328 -3.496 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.214 -1.277 -5.041 1.00 0.00 O ATOM 0 H ASP A 10 -10.022 -2.807 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.107 -0.172 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.310 0.470 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.538 -0.821 -5.549 1.00 0.00 H new ATOM 188 N ASN A 11 -10.872 0.964 -1.998 1.00 0.00 N ATOM 189 CA ASN A 11 -11.481 1.474 -0.738 1.00 0.00 C ATOM 190 C ASN A 11 -12.972 1.139 -0.722 1.00 0.00 C ATOM 191 O ASN A 11 -13.815 2.011 -0.662 1.00 0.00 O ATOM 192 CB ASN A 11 -11.299 2.992 -0.661 1.00 0.00 C ATOM 193 CG ASN A 11 -11.967 3.649 -1.869 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.200 3.006 -2.874 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.290 4.912 -1.815 1.00 0.00 N ATOM 0 H ASN A 11 -10.677 1.674 -2.703 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.993 1.006 0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.735 3.375 0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.238 3.241 -0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.737 5.359 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.095 5.453 -0.972 1.00 0.00 H new ATOM 202 N ALA A 12 -13.305 -0.122 -0.775 1.00 0.00 N ATOM 203 CA ALA A 12 -14.741 -0.514 -0.763 1.00 0.00 C ATOM 204 C ALA A 12 -15.346 -0.195 0.606 1.00 0.00 C ATOM 205 O ALA A 12 -16.545 -0.261 0.795 1.00 0.00 O ATOM 206 CB ALA A 12 -14.859 -2.014 -1.037 1.00 0.00 C ATOM 0 H ALA A 12 -12.644 -0.897 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.277 0.040 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.910 -2.304 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.428 -2.241 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.324 -2.568 -0.266 1.00 0.00 H new ATOM 212 N SER A 13 -14.528 0.151 1.563 1.00 0.00 N ATOM 213 CA SER A 13 -15.060 0.474 2.918 1.00 0.00 C ATOM 214 C SER A 13 -15.577 1.915 2.932 1.00 0.00 C ATOM 215 O SER A 13 -16.665 2.187 3.397 1.00 0.00 O ATOM 216 CB SER A 13 -13.944 0.323 3.953 1.00 0.00 C ATOM 217 OG SER A 13 -14.515 0.264 5.254 1.00 0.00 O ATOM 0 H SER A 13 -13.515 0.224 1.465 1.00 0.00 H new ATOM 0 HA SER A 13 -15.875 -0.208 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.368 -0.581 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.253 1.163 3.884 1.00 0.00 H new ATOM 0 HG SER A 13 -13.803 0.165 5.920 1.00 0.00 H new ATOM 223 N ALA A 14 -14.803 2.835 2.421 1.00 0.00 N ATOM 224 CA ALA A 14 -15.241 4.261 2.400 1.00 0.00 C ATOM 225 C ALA A 14 -14.096 5.128 1.865 1.00 0.00 C ATOM 226 O ALA A 14 -14.262 5.891 0.936 1.00 0.00 O ATOM 227 CB ALA A 14 -15.610 4.709 3.823 1.00 0.00 C ATOM 0 H ALA A 14 -13.883 2.660 2.016 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.114 4.369 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.930 5.751 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.421 4.087 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.741 4.607 4.473 1.00 0.00 H new ATOM 233 N SER A 15 -12.934 5.014 2.451 1.00 0.00 N ATOM 234 CA SER A 15 -11.778 5.829 1.983 1.00 0.00 C ATOM 235 C SER A 15 -10.476 5.179 2.453 1.00 0.00 C ATOM 236 O SER A 15 -9.475 5.842 2.637 1.00 0.00 O ATOM 237 CB SER A 15 -11.880 7.237 2.568 1.00 0.00 C ATOM 238 OG SER A 15 -12.917 7.949 1.904 1.00 0.00 O ATOM 0 H SER A 15 -12.736 4.391 3.234 1.00 0.00 H new ATOM 0 HA SER A 15 -11.787 5.884 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.086 7.185 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.931 7.761 2.452 1.00 0.00 H new ATOM 0 HG SER A 15 -13.297 7.388 1.196 1.00 0.00 H new ATOM 244 N LEU A 16 -10.487 3.883 2.650 1.00 0.00 N ATOM 245 CA LEU A 16 -9.255 3.168 3.113 1.00 0.00 C ATOM 246 C LEU A 16 -8.995 1.967 2.204 1.00 0.00 C ATOM 247 O LEU A 16 -9.787 1.049 2.130 1.00 0.00 O ATOM 248 CB LEU A 16 -9.461 2.672 4.547 1.00 0.00 C ATOM 249 CG LEU A 16 -9.805 3.848 5.474 1.00 0.00 C ATOM 250 CD1 LEU A 16 -10.448 3.315 6.758 1.00 0.00 C ATOM 251 CD2 LEU A 16 -8.532 4.625 5.838 1.00 0.00 C ATOM 0 H LEU A 16 -11.302 3.286 2.509 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.406 3.850 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.263 1.934 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.558 2.174 4.900 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.498 4.512 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.692 4.149 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.359 2.770 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.751 2.646 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.788 5.456 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.834 3.961 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.069 5.010 4.930 1.00 0.00 H new ATOM 263 N CYS A 17 -7.881 1.965 1.520 1.00 0.00 N ATOM 264 CA CYS A 17 -7.541 0.824 0.616 1.00 0.00 C ATOM 265 C CYS A 17 -6.534 -0.076 1.330 1.00 0.00 C ATOM 266 O CYS A 17 -5.796 0.371 2.181 1.00 0.00 O ATOM 267 CB CYS A 17 -6.930 1.369 -0.680 1.00 0.00 C ATOM 268 SG CYS A 17 -6.113 0.027 -1.582 1.00 0.00 S ATOM 0 H CYS A 17 -7.186 2.711 1.549 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.437 0.253 0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.707 1.816 -1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.212 2.157 -0.452 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.865 -1.033 -1.558 1.00 0.00 H new ATOM 274 N ARG A 18 -6.508 -1.346 1.008 1.00 0.00 N ATOM 275 CA ARG A 18 -5.547 -2.282 1.677 1.00 0.00 C ATOM 276 C ARG A 18 -4.597 -2.865 0.633 1.00 0.00 C ATOM 277 O ARG A 18 -4.996 -3.202 -0.464 1.00 0.00 O ATOM 278 CB ARG A 18 -6.325 -3.416 2.347 1.00 0.00 C ATOM 279 CG ARG A 18 -7.148 -2.854 3.508 1.00 0.00 C ATOM 280 CD ARG A 18 -7.790 -4.007 4.283 1.00 0.00 C ATOM 281 NE ARG A 18 -8.848 -3.469 5.185 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.796 -4.252 5.622 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.819 -5.509 5.269 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.722 -3.779 6.411 1.00 0.00 N ATOM 0 H ARG A 18 -7.112 -1.777 0.309 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.974 -1.740 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.981 -3.899 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.636 -4.178 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.510 -2.268 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.919 -2.182 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.220 -4.730 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.034 -4.534 4.865 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.831 -2.487 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.096 -5.879 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.560 -6.121 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.705 -2.797 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.463 -4.391 6.752 1.00 0.00 H new ATOM 298 N VAL A 19 -3.335 -2.982 0.966 1.00 0.00 N ATOM 299 CA VAL A 19 -2.339 -3.539 -0.003 1.00 0.00 C ATOM 300 C VAL A 19 -1.391 -4.494 0.716 1.00 0.00 C ATOM 301 O VAL A 19 -0.923 -4.219 1.803 1.00 0.00 O ATOM 302 CB VAL A 19 -1.506 -2.404 -0.600 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.417 -1.413 -1.324 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.752 -1.685 0.522 1.00 0.00 C ATOM 0 H VAL A 19 -2.950 -2.714 1.872 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.880 -4.066 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.793 -2.817 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.816 -0.608 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.950 -1.926 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.136 -0.997 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.157 -0.875 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.466 -1.276 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.095 -2.391 1.030 1.00 0.00 H new ATOM 314 N VAL A 20 -1.082 -5.604 0.101 1.00 0.00 N ATOM 315 CA VAL A 20 -0.133 -6.574 0.723 1.00 0.00 C ATOM 316 C VAL A 20 1.239 -6.379 0.079 1.00 0.00 C ATOM 317 O VAL A 20 1.418 -6.616 -1.100 1.00 0.00 O ATOM 318 CB VAL A 20 -0.616 -8.005 0.473 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.181 -8.972 1.351 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.102 -8.109 0.824 1.00 0.00 C ATOM 0 H VAL A 20 -1.448 -5.882 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.076 -6.405 1.798 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.470 -8.260 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.162 -9.991 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.240 -8.898 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.033 -8.717 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.447 -9.127 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.247 -7.855 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.672 -7.419 0.202 1.00 0.00 H new ATOM 330 N LEU A 21 2.208 -5.930 0.832 1.00 0.00 N ATOM 331 CA LEU A 21 3.566 -5.699 0.248 1.00 0.00 C ATOM 332 C LEU A 21 4.454 -6.921 0.490 1.00 0.00 C ATOM 333 O LEU A 21 4.654 -7.348 1.610 1.00 0.00 O ATOM 334 CB LEU A 21 4.199 -4.477 0.919 1.00 0.00 C ATOM 335 CG LEU A 21 3.158 -3.363 1.038 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.819 -2.111 1.617 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.586 -3.048 -0.348 1.00 0.00 C ATOM 0 H LEU A 21 2.120 -5.713 1.825 1.00 0.00 H new ATOM 0 HA LEU A 21 3.472 -5.530 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.575 -4.745 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.053 -4.131 0.336 1.00 0.00 H new ATOM 0 HG LEU A 21 2.352 -3.685 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.079 -1.315 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.225 -2.337 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.625 -1.787 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.844 -2.254 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.390 -2.724 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.116 -3.941 -0.759 1.00 0.00 H new ATOM 349 N GLN A 22 4.989 -7.486 -0.565 1.00 0.00 N ATOM 350 CA GLN A 22 5.870 -8.686 -0.430 1.00 0.00 C ATOM 351 C GLN A 22 7.332 -8.266 -0.588 1.00 0.00 C ATOM 352 O GLN A 22 7.656 -7.389 -1.366 1.00 0.00 O ATOM 353 CB GLN A 22 5.514 -9.699 -1.520 1.00 0.00 C ATOM 354 CG GLN A 22 6.207 -11.032 -1.227 1.00 0.00 C ATOM 355 CD GLN A 22 6.149 -11.922 -2.470 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.961 -11.790 -3.364 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.216 -12.829 -2.564 1.00 0.00 N ATOM 0 H GLN A 22 4.851 -7.163 -1.523 1.00 0.00 H new ATOM 0 HA GLN A 22 5.725 -9.136 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.434 -9.840 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.823 -9.323 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.244 -10.859 -0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.721 -11.530 -0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.535 -12.939 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.168 -13.428 -3.388 1.00 0.00 H new ATOM 366 N SER A 23 8.218 -8.888 0.141 1.00 0.00 N ATOM 367 CA SER A 23 9.659 -8.530 0.033 1.00 0.00 C ATOM 368 C SER A 23 10.504 -9.596 0.733 1.00 0.00 C ATOM 369 O SER A 23 10.375 -9.823 1.920 1.00 0.00 O ATOM 370 CB SER A 23 9.899 -7.173 0.696 1.00 0.00 C ATOM 371 OG SER A 23 11.281 -6.850 0.617 1.00 0.00 O ATOM 0 H SER A 23 8.005 -9.630 0.808 1.00 0.00 H new ATOM 0 HA SER A 23 9.941 -8.476 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.305 -6.404 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.580 -7.203 1.738 1.00 0.00 H new ATOM 0 HG SER A 23 11.438 -5.980 1.040 1.00 0.00 H new ATOM 377 N GLY A 24 11.368 -10.254 0.009 1.00 0.00 N ATOM 378 CA GLY A 24 12.218 -11.306 0.634 1.00 0.00 C ATOM 379 C GLY A 24 11.370 -12.543 0.930 1.00 0.00 C ATOM 380 O GLY A 24 11.567 -13.218 1.920 1.00 0.00 O ATOM 0 H GLY A 24 11.522 -10.108 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.040 -11.567 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.663 -10.929 1.555 1.00 0.00 H new ATOM 384 N ALA A 25 10.426 -12.843 0.078 1.00 0.00 N ATOM 385 CA ALA A 25 9.557 -14.035 0.301 1.00 0.00 C ATOM 386 C ALA A 25 8.596 -13.759 1.465 1.00 0.00 C ATOM 387 O ALA A 25 7.613 -14.450 1.648 1.00 0.00 O ATOM 388 CB ALA A 25 10.431 -15.262 0.615 1.00 0.00 C ATOM 0 H ALA A 25 10.219 -12.311 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 25 8.977 -14.236 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.793 -16.131 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.101 -15.455 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.018 -15.070 1.513 1.00 0.00 H new ATOM 394 N LEU A 26 8.869 -12.750 2.249 1.00 0.00 N ATOM 395 CA LEU A 26 7.967 -12.432 3.392 1.00 0.00 C ATOM 396 C LEU A 26 6.743 -11.674 2.874 1.00 0.00 C ATOM 397 O LEU A 26 6.683 -11.290 1.723 1.00 0.00 O ATOM 398 CB LEU A 26 8.712 -11.564 4.412 1.00 0.00 C ATOM 399 CG LEU A 26 10.119 -12.123 4.640 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.791 -11.356 5.781 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.029 -13.609 5.008 1.00 0.00 C ATOM 0 H LEU A 26 9.676 -12.134 2.147 1.00 0.00 H new ATOM 0 HA LEU A 26 7.649 -13.358 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.773 -10.537 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.163 -11.541 5.353 1.00 0.00 H new ATOM 0 HG LEU A 26 10.706 -12.011 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.793 -11.752 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.857 -10.300 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.202 -11.469 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.031 -14.005 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.442 -13.723 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.549 -14.156 4.197 1.00 0.00 H new ATOM 413 N GLU A 27 5.765 -11.455 3.716 1.00 0.00 N ATOM 414 CA GLU A 27 4.538 -10.719 3.281 1.00 0.00 C ATOM 415 C GLU A 27 4.094 -9.772 4.396 1.00 0.00 C ATOM 416 O GLU A 27 4.243 -10.063 5.566 1.00 0.00 O ATOM 417 CB GLU A 27 3.418 -11.723 2.984 1.00 0.00 C ATOM 418 CG GLU A 27 3.990 -12.910 2.207 1.00 0.00 C ATOM 419 CD GLU A 27 2.856 -13.857 1.812 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.787 -13.743 2.390 1.00 0.00 O ATOM 421 OE2 GLU A 27 3.074 -14.679 0.937 1.00 0.00 O ATOM 0 H GLU A 27 5.763 -11.756 4.691 1.00 0.00 H new ATOM 0 HA GLU A 27 4.756 -10.144 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.967 -12.067 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.628 -11.243 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.511 -12.558 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.723 -13.438 2.817 1.00 0.00 H new ATOM 428 N MET A 28 3.550 -8.634 4.041 1.00 0.00 N ATOM 429 CA MET A 28 3.092 -7.654 5.073 1.00 0.00 C ATOM 430 C MET A 28 1.755 -7.056 4.639 1.00 0.00 C ATOM 431 O MET A 28 1.410 -7.075 3.476 1.00 0.00 O ATOM 432 CB MET A 28 4.131 -6.538 5.206 1.00 0.00 C ATOM 433 CG MET A 28 5.518 -7.150 5.402 1.00 0.00 C ATOM 434 SD MET A 28 6.730 -5.830 5.656 1.00 0.00 S ATOM 435 CE MET A 28 8.065 -6.868 6.301 1.00 0.00 C ATOM 0 H MET A 28 3.403 -8.341 3.075 1.00 0.00 H new ATOM 0 HA MET A 28 2.973 -8.157 6.033 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.122 -5.911 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.883 -5.895 6.051 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.512 -7.823 6.259 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.791 -7.746 4.531 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.931 -6.247 6.530 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.729 -7.371 7.208 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.340 -7.613 5.554 1.00 0.00 H new ATOM 445 N ILE A 29 1.004 -6.519 5.569 1.00 0.00 N ATOM 446 CA ILE A 29 -0.319 -5.901 5.232 1.00 0.00 C ATOM 447 C ILE A 29 -0.323 -4.468 5.759 1.00 0.00 C ATOM 448 O ILE A 29 0.163 -4.195 6.839 1.00 0.00 O ATOM 449 CB ILE A 29 -1.448 -6.706 5.892 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.605 -8.042 5.159 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.764 -5.922 5.808 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.556 -8.952 5.941 1.00 0.00 C ATOM 0 H ILE A 29 1.253 -6.482 6.558 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.475 -5.903 4.153 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.203 -6.883 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.992 -7.873 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.633 -8.524 5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.561 -6.498 6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.653 -4.968 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.014 -5.742 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.665 -9.901 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.151 -9.132 6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.530 -8.471 6.028 1.00 0.00 H new ATOM 464 N ALA A 30 -0.848 -3.541 5.003 1.00 0.00 N ATOM 465 CA ALA A 30 -0.854 -2.124 5.468 1.00 0.00 C ATOM 466 C ALA A 30 -2.089 -1.394 4.947 1.00 0.00 C ATOM 467 O ALA A 30 -2.507 -1.580 3.822 1.00 0.00 O ATOM 468 CB ALA A 30 0.401 -1.428 4.937 1.00 0.00 C ATOM 0 H ALA A 30 -1.271 -3.702 4.089 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.870 -2.105 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.410 -0.390 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.287 -1.938 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.401 -1.460 3.847 1.00 0.00 H new ATOM 474 N GLU A 31 -2.661 -0.541 5.755 1.00 0.00 N ATOM 475 CA GLU A 31 -3.851 0.225 5.298 1.00 0.00 C ATOM 476 C GLU A 31 -3.362 1.317 4.347 1.00 0.00 C ATOM 477 O GLU A 31 -2.219 1.722 4.405 1.00 0.00 O ATOM 478 CB GLU A 31 -4.554 0.859 6.507 1.00 0.00 C ATOM 479 CG GLU A 31 -5.487 -0.166 7.164 1.00 0.00 C ATOM 480 CD GLU A 31 -5.863 0.307 8.569 1.00 0.00 C ATOM 481 OE1 GLU A 31 -4.995 0.307 9.426 1.00 0.00 O ATOM 482 OE2 GLU A 31 -7.014 0.663 8.765 1.00 0.00 O ATOM 0 H GLU A 31 -2.355 -0.344 6.708 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.560 -0.430 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.814 1.205 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.124 1.732 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.385 -0.294 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.997 -1.138 7.216 1.00 0.00 H new ATOM 489 N ILE A 32 -4.204 1.785 3.463 1.00 0.00 N ATOM 490 CA ILE A 32 -3.772 2.839 2.490 1.00 0.00 C ATOM 491 C ILE A 32 -4.868 3.897 2.350 1.00 0.00 C ATOM 492 O ILE A 32 -6.045 3.607 2.438 1.00 0.00 O ATOM 493 CB ILE A 32 -3.515 2.177 1.127 1.00 0.00 C ATOM 494 CG1 ILE A 32 -2.270 1.273 1.207 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.324 3.236 0.042 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.000 2.075 1.545 1.00 0.00 C ATOM 0 H ILE A 32 -5.174 1.484 3.371 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.862 3.320 2.847 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.382 1.569 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.427 0.505 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.133 0.759 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.143 2.747 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.221 3.851 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.471 3.866 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.145 1.400 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.828 2.826 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.127 2.568 2.509 1.00 0.00 H new ATOM 508 N GLU A 33 -4.474 5.126 2.125 1.00 0.00 N ATOM 509 CA GLU A 33 -5.460 6.240 1.965 1.00 0.00 C ATOM 510 C GLU A 33 -5.197 6.947 0.632 1.00 0.00 C ATOM 511 O GLU A 33 -4.184 7.594 0.457 1.00 0.00 O ATOM 512 CB GLU A 33 -5.276 7.237 3.111 1.00 0.00 C ATOM 513 CG GLU A 33 -6.485 8.173 3.176 1.00 0.00 C ATOM 514 CD GLU A 33 -6.310 9.156 4.335 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.307 9.055 5.024 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.178 9.993 4.513 1.00 0.00 O ATOM 0 H GLU A 33 -3.497 5.409 2.044 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.476 5.846 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.164 6.704 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.364 7.815 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.588 8.717 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.399 7.595 3.311 1.00 0.00 H new ATOM 523 N ALA A 34 -6.093 6.828 -0.309 1.00 0.00 N ATOM 524 CA ALA A 34 -5.874 7.497 -1.624 1.00 0.00 C ATOM 525 C ALA A 34 -7.202 7.628 -2.369 1.00 0.00 C ATOM 526 O ALA A 34 -8.264 7.436 -1.811 1.00 0.00 O ATOM 527 CB ALA A 34 -4.905 6.662 -2.465 1.00 0.00 C ATOM 0 H ALA A 34 -6.962 6.300 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.456 8.489 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.744 7.150 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.954 6.571 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.326 5.670 -2.628 1.00 0.00 H new ATOM 533 N CYS A 35 -7.145 7.952 -3.634 1.00 0.00 N ATOM 534 CA CYS A 35 -8.393 8.097 -4.437 1.00 0.00 C ATOM 535 C CYS A 35 -8.099 7.700 -5.885 1.00 0.00 C ATOM 536 O CYS A 35 -8.995 7.491 -6.678 1.00 0.00 O ATOM 537 CB CYS A 35 -8.865 9.553 -4.392 1.00 0.00 C ATOM 538 SG CYS A 35 -9.518 9.923 -2.745 1.00 0.00 S ATOM 0 H CYS A 35 -6.281 8.123 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.173 7.455 -4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.037 10.223 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.634 9.721 -5.146 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.261 8.932 -1.944 1.00 0.00 H new ATOM 544 N ARG A 36 -6.845 7.592 -6.232 1.00 0.00 N ATOM 545 CA ARG A 36 -6.486 7.205 -7.625 1.00 0.00 C ATOM 546 C ARG A 36 -6.821 5.728 -7.838 1.00 0.00 C ATOM 547 O ARG A 36 -7.242 5.325 -8.904 1.00 0.00 O ATOM 548 CB ARG A 36 -4.987 7.427 -7.845 1.00 0.00 C ATOM 549 CG ARG A 36 -4.595 8.808 -7.317 1.00 0.00 C ATOM 550 CD ARG A 36 -3.145 9.110 -7.701 1.00 0.00 C ATOM 551 NE ARG A 36 -2.736 10.417 -7.113 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.535 10.520 -5.827 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.691 9.477 -5.057 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.178 11.664 -5.312 1.00 0.00 N ATOM 0 H ARG A 36 -6.053 7.755 -5.610 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.049 7.814 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.415 6.654 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.749 7.350 -8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.258 9.568 -7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.710 8.841 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.490 8.317 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.044 9.140 -8.786 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.613 11.231 -7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.970 8.583 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.534 9.557 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.056 12.478 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.021 11.744 -4.307 1.00 0.00 H new ATOM 568 N LEU A 37 -6.645 4.919 -6.827 1.00 0.00 N ATOM 569 CA LEU A 37 -6.955 3.467 -6.957 1.00 0.00 C ATOM 570 C LEU A 37 -6.394 2.932 -8.278 1.00 0.00 C ATOM 571 O LEU A 37 -6.944 2.031 -8.878 1.00 0.00 O ATOM 572 CB LEU A 37 -8.472 3.278 -6.922 1.00 0.00 C ATOM 573 CG LEU A 37 -9.075 4.167 -5.832 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.569 3.868 -5.698 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.377 3.887 -4.496 1.00 0.00 C ATOM 0 H LEU A 37 -6.298 5.205 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.498 2.918 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.903 3.531 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.714 2.233 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.936 5.214 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.999 4.501 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.067 4.069 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.708 2.821 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.807 4.521 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.514 2.840 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.312 4.101 -4.590 1.00 0.00 H new ATOM 587 N ARG A 38 -5.300 3.483 -8.733 1.00 0.00 N ATOM 588 CA ARG A 38 -4.694 3.011 -10.016 1.00 0.00 C ATOM 589 C ARG A 38 -3.642 1.944 -9.715 1.00 0.00 C ATOM 590 O ARG A 38 -2.758 1.686 -10.508 1.00 0.00 O ATOM 591 CB ARG A 38 -4.032 4.191 -10.732 1.00 0.00 C ATOM 592 CG ARG A 38 -2.999 4.840 -9.808 1.00 0.00 C ATOM 593 CD ARG A 38 -2.387 6.057 -10.506 1.00 0.00 C ATOM 594 NE ARG A 38 -1.944 5.673 -11.876 1.00 0.00 N ATOM 595 CZ ARG A 38 -1.780 6.589 -12.791 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.006 7.843 -12.507 1.00 0.00 N ATOM 597 NH2 ARG A 38 -1.393 6.251 -13.990 1.00 0.00 N ATOM 0 H ARG A 38 -4.798 4.241 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.471 2.589 -10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.551 3.849 -11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.786 4.923 -11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.470 5.142 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.219 4.122 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.118 6.864 -10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.541 6.432 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.769 4.693 -12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.311 8.107 -11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.878 8.559 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.219 5.271 -14.212 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.265 6.967 -14.705 1.00 0.00 H new ATOM 611 N LEU A 39 -3.730 1.321 -8.572 1.00 0.00 N ATOM 612 CA LEU A 39 -2.737 0.271 -8.215 1.00 0.00 C ATOM 613 C LEU A 39 -3.026 -0.997 -9.022 1.00 0.00 C ATOM 614 O LEU A 39 -4.075 -1.138 -9.619 1.00 0.00 O ATOM 615 CB LEU A 39 -2.839 -0.034 -6.717 1.00 0.00 C ATOM 616 CG LEU A 39 -2.975 1.276 -5.936 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.993 0.977 -4.435 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.791 2.191 -6.259 1.00 0.00 C ATOM 0 H LEU A 39 -4.448 1.495 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.731 0.622 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.699 -0.676 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.954 -0.577 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.904 1.771 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.090 1.910 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.837 0.327 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.065 0.481 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.889 3.123 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.861 1.696 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.778 2.406 -7.327 1.00 0.00 H new ATOM 630 N ARG A 40 -2.105 -1.922 -9.046 1.00 0.00 N ATOM 631 CA ARG A 40 -2.329 -3.178 -9.817 1.00 0.00 C ATOM 632 C ARG A 40 -1.416 -4.281 -9.277 1.00 0.00 C ATOM 633 O ARG A 40 -0.452 -4.021 -8.589 1.00 0.00 O ATOM 634 CB ARG A 40 -2.013 -2.931 -11.295 1.00 0.00 C ATOM 635 CG ARG A 40 -2.592 -4.066 -12.144 1.00 0.00 C ATOM 636 CD ARG A 40 -2.401 -3.741 -13.627 1.00 0.00 C ATOM 637 NE ARG A 40 -2.725 -4.944 -14.444 1.00 0.00 N ATOM 638 CZ ARG A 40 -2.714 -4.871 -15.747 1.00 0.00 C ATOM 639 NH1 ARG A 40 -2.418 -3.742 -16.334 1.00 0.00 N ATOM 640 NH2 ARG A 40 -2.997 -5.924 -16.463 1.00 0.00 N ATOM 0 H ARG A 40 -1.207 -1.862 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.369 -3.487 -9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.433 -1.976 -11.612 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.935 -2.869 -11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.097 -5.006 -11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.651 -4.196 -11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.044 -2.909 -13.914 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.373 -3.428 -13.812 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.956 -5.825 -13.985 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.196 -2.919 -15.774 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.409 -3.684 -17.352 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.227 -6.806 -16.005 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.988 -5.866 -17.481 1.00 0.00 H new ATOM 654 N GLU A 41 -1.717 -5.511 -9.585 1.00 0.00 N ATOM 655 CA GLU A 41 -0.873 -6.636 -9.093 1.00 0.00 C ATOM 656 C GLU A 41 0.500 -6.582 -9.767 1.00 0.00 C ATOM 657 O GLU A 41 0.610 -6.376 -10.959 1.00 0.00 O ATOM 658 CB GLU A 41 -1.552 -7.964 -9.429 1.00 0.00 C ATOM 659 CG GLU A 41 -2.814 -8.124 -8.577 1.00 0.00 C ATOM 660 CD GLU A 41 -3.863 -7.104 -9.024 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.925 -6.827 -10.209 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.585 -6.616 -8.170 1.00 0.00 O ATOM 0 H GLU A 41 -2.514 -5.787 -10.158 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.749 -6.551 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.809 -7.995 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.868 -8.792 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.208 -9.135 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.575 -7.979 -7.523 1.00 0.00 H new ATOM 669 N GLY A 42 1.550 -6.772 -9.012 1.00 0.00 N ATOM 670 CA GLY A 42 2.919 -6.739 -9.605 1.00 0.00 C ATOM 671 C GLY A 42 3.424 -5.296 -9.669 1.00 0.00 C ATOM 672 O GLY A 42 4.389 -4.998 -10.344 1.00 0.00 O ATOM 0 H GLY A 42 1.518 -6.949 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.599 -7.345 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.902 -7.172 -10.605 1.00 0.00 H new ATOM 676 N ASP A 43 2.784 -4.397 -8.972 1.00 0.00 N ATOM 677 CA ASP A 43 3.238 -2.978 -8.998 1.00 0.00 C ATOM 678 C ASP A 43 4.596 -2.863 -8.303 1.00 0.00 C ATOM 679 O ASP A 43 4.804 -3.403 -7.230 1.00 0.00 O ATOM 680 CB ASP A 43 2.217 -2.097 -8.272 1.00 0.00 C ATOM 681 CG ASP A 43 2.478 -0.627 -8.610 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.487 -0.355 -9.241 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.665 0.200 -8.232 1.00 0.00 O ATOM 0 H ASP A 43 1.969 -4.583 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 43 3.330 -2.648 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.205 -2.375 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.288 -2.252 -7.195 1.00 0.00 H new ATOM 688 N LYS A 44 5.522 -2.161 -8.905 1.00 0.00 N ATOM 689 CA LYS A 44 6.874 -2.000 -8.291 1.00 0.00 C ATOM 690 C LYS A 44 6.894 -0.726 -7.437 1.00 0.00 C ATOM 691 O LYS A 44 6.760 0.375 -7.940 1.00 0.00 O ATOM 692 CB LYS A 44 7.928 -1.902 -9.401 1.00 0.00 C ATOM 693 CG LYS A 44 7.360 -1.103 -10.578 1.00 0.00 C ATOM 694 CD LYS A 44 8.501 -0.672 -11.504 1.00 0.00 C ATOM 695 CE LYS A 44 9.192 -1.911 -12.081 1.00 0.00 C ATOM 696 NZ LYS A 44 10.021 -1.514 -13.255 1.00 0.00 N ATOM 0 H LYS A 44 5.398 -1.690 -9.801 1.00 0.00 H new ATOM 0 HA LYS A 44 7.098 -2.860 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.828 -1.419 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.217 -2.900 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.640 -1.709 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.825 -0.227 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.113 -0.051 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.220 -0.066 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.818 -2.379 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.448 -2.650 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.491 -2.354 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.412 -1.086 -13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.739 -0.824 -12.955 1.00 0.00 H new ATOM 710 N LEU A 45 7.060 -0.876 -6.145 1.00 0.00 N ATOM 711 CA LEU A 45 7.091 0.309 -5.230 1.00 0.00 C ATOM 712 C LEU A 45 8.517 0.522 -4.716 1.00 0.00 C ATOM 713 O LEU A 45 9.226 -0.422 -4.424 1.00 0.00 O ATOM 714 CB LEU A 45 6.160 0.053 -4.039 1.00 0.00 C ATOM 715 CG LEU A 45 4.847 -0.564 -4.527 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.913 -0.780 -3.334 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.182 0.380 -5.531 1.00 0.00 C ATOM 0 H LEU A 45 7.176 -1.777 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 45 6.762 1.195 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.643 -0.615 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.960 0.988 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 45 5.051 -1.521 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.977 -1.219 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.387 -1.452 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.709 0.177 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.247 -0.059 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.977 1.337 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.848 0.536 -6.380 1.00 0.00 H new ATOM 729 N THR A 46 8.939 1.758 -4.597 1.00 0.00 N ATOM 730 CA THR A 46 10.320 2.061 -4.094 1.00 0.00 C ATOM 731 C THR A 46 10.208 2.931 -2.832 1.00 0.00 C ATOM 732 O THR A 46 9.251 3.660 -2.667 1.00 0.00 O ATOM 733 CB THR A 46 11.097 2.830 -5.174 1.00 0.00 C ATOM 734 OG1 THR A 46 12.055 3.676 -4.553 1.00 0.00 O ATOM 735 CG2 THR A 46 10.129 3.680 -5.997 1.00 0.00 C ATOM 0 H THR A 46 8.381 2.580 -4.829 1.00 0.00 H new ATOM 0 HA THR A 46 10.843 1.133 -3.861 1.00 0.00 H new ATOM 0 HB THR A 46 11.603 2.121 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.553 4.166 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.683 4.224 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.392 3.034 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.621 4.389 -5.343 1.00 0.00 H new ATOM 743 N PRO A 47 11.174 2.860 -1.944 1.00 0.00 N ATOM 744 CA PRO A 47 11.159 3.663 -0.684 1.00 0.00 C ATOM 745 C PRO A 47 11.397 5.155 -0.952 1.00 0.00 C ATOM 746 O PRO A 47 12.369 5.537 -1.573 1.00 0.00 O ATOM 747 CB PRO A 47 12.307 3.061 0.141 1.00 0.00 C ATOM 748 CG PRO A 47 13.250 2.502 -0.873 1.00 0.00 C ATOM 749 CD PRO A 47 12.380 2.015 -2.034 1.00 0.00 C ATOM 0 HA PRO A 47 10.196 3.617 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.791 3.819 0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.945 2.285 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.958 3.260 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.834 1.683 -0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.885 2.138 -2.992 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.136 0.957 -1.936 1.00 0.00 H new ATOM 757 N LEU A 48 10.516 6.000 -0.488 1.00 0.00 N ATOM 758 CA LEU A 48 10.691 7.462 -0.716 1.00 0.00 C ATOM 759 C LEU A 48 11.711 8.009 0.289 1.00 0.00 C ATOM 760 O LEU A 48 12.793 8.424 -0.075 1.00 0.00 O ATOM 761 CB LEU A 48 9.339 8.171 -0.533 1.00 0.00 C ATOM 762 CG LEU A 48 9.330 9.500 -1.299 1.00 0.00 C ATOM 763 CD1 LEU A 48 7.980 10.192 -1.096 1.00 0.00 C ATOM 764 CD2 LEU A 48 10.455 10.407 -0.783 1.00 0.00 C ATOM 0 H LEU A 48 9.682 5.740 0.039 1.00 0.00 H new ATOM 0 HA LEU A 48 11.053 7.640 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.533 7.531 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.155 8.352 0.526 1.00 0.00 H new ATOM 0 HG LEU A 48 9.487 9.306 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.970 11.137 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.182 9.550 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.825 10.382 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.443 11.349 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.306 10.603 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.416 9.914 -0.930 1.00 0.00 H new ATOM 776 N ALA A 49 11.373 8.017 1.551 1.00 0.00 N ATOM 777 CA ALA A 49 12.326 8.538 2.571 1.00 0.00 C ATOM 778 C ALA A 49 11.778 8.266 3.975 1.00 0.00 C ATOM 779 O ALA A 49 12.325 7.479 4.722 1.00 0.00 O ATOM 780 CB ALA A 49 12.503 10.046 2.379 1.00 0.00 C ATOM 0 H ALA A 49 10.481 7.686 1.918 1.00 0.00 H new ATOM 0 HA ALA A 49 13.288 8.038 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.200 10.428 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.895 10.242 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.540 10.543 2.494 1.00 0.00 H new ATOM 786 N ASP A 50 10.705 8.914 4.340 1.00 0.00 N ATOM 787 CA ASP A 50 10.128 8.693 5.697 1.00 0.00 C ATOM 788 C ASP A 50 9.324 7.392 5.711 1.00 0.00 C ATOM 789 O ASP A 50 9.450 6.584 6.609 1.00 0.00 O ATOM 790 CB ASP A 50 9.211 9.864 6.055 1.00 0.00 C ATOM 791 CG ASP A 50 8.162 10.045 4.957 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.526 10.501 3.885 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.011 9.724 5.204 1.00 0.00 O ATOM 0 H ASP A 50 10.204 9.586 3.759 1.00 0.00 H new ATOM 0 HA ASP A 50 10.935 8.624 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.723 9.678 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.796 10.777 6.168 1.00 0.00 H new ATOM 798 N ALA A 51 8.496 7.184 4.723 1.00 0.00 N ATOM 799 CA ALA A 51 7.684 5.934 4.684 1.00 0.00 C ATOM 800 C ALA A 51 6.868 5.894 3.391 1.00 0.00 C ATOM 801 O ALA A 51 6.556 4.838 2.876 1.00 0.00 O ATOM 802 CB ALA A 51 6.735 5.902 5.884 1.00 0.00 C ATOM 0 H ALA A 51 8.347 7.824 3.943 1.00 0.00 H new ATOM 0 HA ALA A 51 8.348 5.071 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.142 4.988 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.314 5.929 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.072 6.766 5.847 1.00 0.00 H new ATOM 808 N ARG A 52 6.516 7.035 2.861 1.00 0.00 N ATOM 809 CA ARG A 52 5.716 7.057 1.604 1.00 0.00 C ATOM 810 C ARG A 52 6.343 6.106 0.584 1.00 0.00 C ATOM 811 O ARG A 52 7.467 5.673 0.735 1.00 0.00 O ATOM 812 CB ARG A 52 5.705 8.476 1.032 1.00 0.00 C ATOM 813 CG ARG A 52 4.914 9.396 1.963 1.00 0.00 C ATOM 814 CD ARG A 52 4.742 10.766 1.303 1.00 0.00 C ATOM 815 NE ARG A 52 3.693 10.682 0.249 1.00 0.00 N ATOM 816 CZ ARG A 52 3.360 11.750 -0.424 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.947 12.888 -0.176 1.00 0.00 N ATOM 818 NH2 ARG A 52 2.437 11.679 -1.345 1.00 0.00 N ATOM 0 H ARG A 52 6.748 7.951 3.244 1.00 0.00 H new ATOM 0 HA ARG A 52 4.695 6.741 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.725 8.843 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.258 8.475 0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.939 8.960 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.434 9.502 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.463 11.509 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.686 11.092 0.866 1.00 0.00 H new ATOM 0 HE ARG A 52 3.236 9.792 0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.667 12.944 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.686 13.722 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.977 10.790 -1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.176 12.513 -1.871 1.00 0.00 H new ATOM 832 N TYR A 53 5.617 5.776 -0.454 1.00 0.00 N ATOM 833 CA TYR A 53 6.157 4.848 -1.495 1.00 0.00 C ATOM 834 C TYR A 53 5.805 5.384 -2.884 1.00 0.00 C ATOM 835 O TYR A 53 4.694 5.808 -3.129 1.00 0.00 O ATOM 836 CB TYR A 53 5.530 3.466 -1.310 1.00 0.00 C ATOM 837 CG TYR A 53 6.100 2.815 -0.070 1.00 0.00 C ATOM 838 CD1 TYR A 53 7.392 2.276 -0.096 1.00 0.00 C ATOM 839 CD2 TYR A 53 5.338 2.752 1.102 1.00 0.00 C ATOM 840 CE1 TYR A 53 7.922 1.675 1.052 1.00 0.00 C ATOM 841 CE2 TYR A 53 5.868 2.149 2.249 1.00 0.00 C ATOM 842 CZ TYR A 53 7.160 1.611 2.224 1.00 0.00 C ATOM 843 OH TYR A 53 7.682 1.017 3.355 1.00 0.00 O ATOM 0 H TYR A 53 4.669 6.111 -0.626 1.00 0.00 H new ATOM 0 HA TYR A 53 7.240 4.776 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.447 3.555 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.729 2.845 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.979 2.324 -1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.342 3.168 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.919 1.261 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.280 2.099 3.153 1.00 0.00 H new ATOM 0 HH TYR A 53 7.023 1.058 4.080 1.00 0.00 H new ATOM 853 N CYS A 54 6.748 5.366 -3.796 1.00 0.00 N ATOM 854 CA CYS A 54 6.482 5.872 -5.181 1.00 0.00 C ATOM 855 C CYS A 54 6.396 4.686 -6.142 1.00 0.00 C ATOM 856 O CYS A 54 7.280 3.854 -6.197 1.00 0.00 O ATOM 857 CB CYS A 54 7.621 6.806 -5.607 1.00 0.00 C ATOM 858 SG CYS A 54 8.097 7.849 -4.207 1.00 0.00 S ATOM 0 H CYS A 54 7.695 5.021 -3.640 1.00 0.00 H new ATOM 0 HA CYS A 54 5.541 6.421 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.476 6.223 -5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.304 7.426 -6.445 1.00 0.00 H new ATOM 0 HG CYS A 54 9.064 8.640 -4.565 1.00 0.00 H new ATOM 864 N LEU A 55 5.333 4.596 -6.899 1.00 0.00 N ATOM 865 CA LEU A 55 5.182 3.457 -7.856 1.00 0.00 C ATOM 866 C LEU A 55 5.661 3.887 -9.242 1.00 0.00 C ATOM 867 O LEU A 55 5.522 5.029 -9.631 1.00 0.00 O ATOM 868 CB LEU A 55 3.705 3.032 -7.921 1.00 0.00 C ATOM 869 CG LEU A 55 2.797 4.241 -8.289 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.473 4.233 -9.791 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.480 4.163 -7.502 1.00 0.00 C ATOM 0 H LEU A 55 4.561 5.263 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 55 5.782 2.613 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.582 2.241 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.398 2.620 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 55 3.330 5.158 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.837 5.085 -10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.398 4.298 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.953 3.310 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.849 5.012 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.963 3.236 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.693 4.185 -6.433 1.00 0.00 H new ATOM 883 N ASN A 56 6.228 2.977 -9.989 1.00 0.00 N ATOM 884 CA ASN A 56 6.719 3.328 -11.353 1.00 0.00 C ATOM 885 C ASN A 56 7.747 4.458 -11.253 1.00 0.00 C ATOM 886 O ASN A 56 8.147 5.034 -12.244 1.00 0.00 O ATOM 887 CB ASN A 56 5.542 3.779 -12.223 1.00 0.00 C ATOM 888 CG ASN A 56 5.956 3.759 -13.696 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.395 4.758 -14.229 1.00 0.00 O ATOM 890 ND2 ASN A 56 5.833 2.655 -14.380 1.00 0.00 N ATOM 0 H ASN A 56 6.372 2.006 -9.713 1.00 0.00 H new ATOM 0 HA ASN A 56 7.187 2.453 -11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.687 3.121 -12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.228 4.783 -11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.106 2.631 -15.363 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.464 1.816 -13.932 1.00 0.00 H new ATOM 897 N ASN A 57 8.179 4.772 -10.061 1.00 0.00 N ATOM 898 CA ASN A 57 9.188 5.857 -9.881 1.00 0.00 C ATOM 899 C ASN A 57 8.608 7.200 -10.342 1.00 0.00 C ATOM 900 O ASN A 57 9.280 7.986 -10.981 1.00 0.00 O ATOM 901 CB ASN A 57 10.449 5.530 -10.694 1.00 0.00 C ATOM 902 CG ASN A 57 11.637 6.328 -10.148 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.861 7.454 -10.542 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.413 5.785 -9.250 1.00 0.00 N ATOM 0 H ASN A 57 7.874 4.321 -9.198 1.00 0.00 H new ATOM 0 HA ASN A 57 9.447 5.928 -8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.661 4.462 -10.641 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.289 5.771 -11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.207 6.307 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.225 4.839 -8.919 1.00 0.00 H new ATOM 911 N ASN A 58 7.367 7.470 -10.014 1.00 0.00 N ATOM 912 CA ASN A 58 6.725 8.763 -10.413 1.00 0.00 C ATOM 913 C ASN A 58 6.205 9.469 -9.148 1.00 0.00 C ATOM 914 O ASN A 58 5.092 9.231 -8.723 1.00 0.00 O ATOM 915 CB ASN A 58 5.549 8.468 -11.349 1.00 0.00 C ATOM 916 CG ASN A 58 5.976 7.439 -12.396 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.148 7.154 -12.541 1.00 0.00 O ATOM 918 ND2 ASN A 58 5.069 6.867 -13.140 1.00 0.00 N ATOM 0 H ASN A 58 6.765 6.842 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 58 7.448 9.401 -10.922 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.701 8.090 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.221 9.385 -11.838 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.344 6.181 -13.843 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.085 7.106 -13.019 1.00 0.00 H new ATOM 925 N PRO A 59 7.003 10.319 -8.535 1.00 0.00 N ATOM 926 CA PRO A 59 6.602 11.043 -7.289 1.00 0.00 C ATOM 927 C PRO A 59 5.185 11.628 -7.367 1.00 0.00 C ATOM 928 O PRO A 59 4.650 12.109 -6.388 1.00 0.00 O ATOM 929 CB PRO A 59 7.650 12.154 -7.172 1.00 0.00 C ATOM 930 CG PRO A 59 8.873 11.580 -7.809 1.00 0.00 C ATOM 931 CD PRO A 59 8.371 10.689 -8.951 1.00 0.00 C ATOM 0 HA PRO A 59 6.571 10.378 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.325 13.061 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.832 12.420 -6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.524 12.369 -8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.454 11.003 -7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.370 11.221 -9.902 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.002 9.809 -9.079 1.00 0.00 H new ATOM 939 N THR A 60 4.572 11.579 -8.514 1.00 0.00 N ATOM 940 CA THR A 60 3.189 12.121 -8.644 1.00 0.00 C ATOM 941 C THR A 60 2.201 11.093 -8.084 1.00 0.00 C ATOM 942 O THR A 60 1.275 11.425 -7.371 1.00 0.00 O ATOM 943 CB THR A 60 2.878 12.377 -10.124 1.00 0.00 C ATOM 944 OG1 THR A 60 1.482 12.225 -10.346 1.00 0.00 O ATOM 945 CG2 THR A 60 3.646 11.378 -10.997 1.00 0.00 C ATOM 0 H THR A 60 4.967 11.187 -9.369 1.00 0.00 H new ATOM 0 HA THR A 60 3.103 13.057 -8.092 1.00 0.00 H new ATOM 0 HB THR A 60 3.183 13.390 -10.386 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.281 12.389 -11.291 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.421 11.565 -12.047 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.716 11.495 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.347 10.363 -10.737 1.00 0.00 H new ATOM 953 N GLN A 61 2.403 9.841 -8.403 1.00 0.00 N ATOM 954 CA GLN A 61 1.498 8.761 -7.901 1.00 0.00 C ATOM 955 C GLN A 61 2.126 8.115 -6.665 1.00 0.00 C ATOM 956 O GLN A 61 2.495 6.957 -6.685 1.00 0.00 O ATOM 957 CB GLN A 61 1.312 7.696 -8.983 1.00 0.00 C ATOM 958 CG GLN A 61 0.981 8.365 -10.316 1.00 0.00 C ATOM 959 CD GLN A 61 -0.255 9.250 -10.154 1.00 0.00 C ATOM 960 OE1 GLN A 61 -1.365 8.811 -10.378 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.109 10.489 -9.769 1.00 0.00 N ATOM 0 H GLN A 61 3.166 9.516 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 61 0.529 9.191 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.220 7.101 -9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.511 7.013 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.827 8.963 -10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.801 7.608 -11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.823 10.858 -9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.927 11.088 -9.656 1.00 0.00 H new ATOM 970 N THR A 62 2.273 8.852 -5.592 1.00 0.00 N ATOM 971 CA THR A 62 2.904 8.270 -4.368 1.00 0.00 C ATOM 972 C THR A 62 1.820 7.758 -3.422 1.00 0.00 C ATOM 973 O THR A 62 0.735 8.299 -3.340 1.00 0.00 O ATOM 974 CB THR A 62 3.732 9.346 -3.661 1.00 0.00 C ATOM 975 OG1 THR A 62 2.910 10.473 -3.394 1.00 0.00 O ATOM 976 CG2 THR A 62 4.904 9.765 -4.550 1.00 0.00 C ATOM 0 H THR A 62 1.985 9.827 -5.511 1.00 0.00 H new ATOM 0 HA THR A 62 3.551 7.441 -4.656 1.00 0.00 H new ATOM 0 HB THR A 62 4.119 8.946 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.413 11.295 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.490 10.531 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.535 8.900 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.523 10.164 -5.490 1.00 0.00 H new ATOM 984 N LEU A 63 2.110 6.688 -2.730 1.00 0.00 N ATOM 985 CA LEU A 63 1.117 6.074 -1.799 1.00 0.00 C ATOM 986 C LEU A 63 1.456 6.444 -0.348 1.00 0.00 C ATOM 987 O LEU A 63 2.586 6.755 -0.028 1.00 0.00 O ATOM 988 CB LEU A 63 1.193 4.548 -1.989 1.00 0.00 C ATOM 989 CG LEU A 63 -0.144 3.879 -1.645 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.245 4.305 -2.644 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.051 2.358 -1.698 1.00 0.00 C ATOM 0 H LEU A 63 3.008 6.206 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 63 0.112 6.438 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.462 4.320 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.981 4.139 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.460 4.187 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.184 3.818 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.373 5.387 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.955 4.011 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.889 1.862 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.368 2.066 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.813 2.063 -0.976 1.00 0.00 H new ATOM 1003 N LYS A 64 0.479 6.406 0.531 1.00 0.00 N ATOM 1004 CA LYS A 64 0.722 6.745 1.971 1.00 0.00 C ATOM 1005 C LYS A 64 0.214 5.600 2.849 1.00 0.00 C ATOM 1006 O LYS A 64 -0.852 5.062 2.622 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.038 8.024 2.327 1.00 0.00 C ATOM 1008 CG LYS A 64 0.578 9.211 1.585 1.00 0.00 C ATOM 1009 CD LYS A 64 0.038 10.512 2.179 1.00 0.00 C ATOM 1010 CE LYS A 64 0.662 11.706 1.456 1.00 0.00 C ATOM 1011 NZ LYS A 64 2.069 11.883 1.913 1.00 0.00 N ATOM 0 H LYS A 64 -0.484 6.152 0.309 1.00 0.00 H new ATOM 0 HA LYS A 64 1.789 6.894 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.089 7.921 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.001 8.195 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.664 9.183 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.338 9.155 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.047 10.544 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.266 10.559 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.636 11.546 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.086 12.609 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.505 12.674 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.080 12.087 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.606 11.012 1.729 1.00 0.00 H new ATOM 1025 N ILE A 65 0.969 5.220 3.852 1.00 0.00 N ATOM 1026 CA ILE A 65 0.530 4.103 4.748 1.00 0.00 C ATOM 1027 C ILE A 65 -0.059 4.671 6.040 1.00 0.00 C ATOM 1028 O ILE A 65 0.412 5.658 6.570 1.00 0.00 O ATOM 1029 CB ILE A 65 1.729 3.212 5.096 1.00 0.00 C ATOM 1030 CG1 ILE A 65 2.848 4.056 5.720 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.251 2.538 3.829 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.020 3.149 6.113 1.00 0.00 C ATOM 0 H ILE A 65 1.870 5.635 4.089 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.227 3.515 4.229 1.00 0.00 H new ATOM 0 HB ILE A 65 1.411 2.453 5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.183 4.814 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.473 4.583 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.103 1.905 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.462 1.928 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.561 3.299 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.813 3.751 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.680 2.408 6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.401 2.642 5.226 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.081 4.039 6.556 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.710 4.509 7.827 1.00 0.00 C ATOM 1046 C ARG A 66 -1.279 3.571 8.956 1.00 0.00 C ATOM 1047 O ARG A 66 -1.257 3.941 10.112 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.234 4.475 7.686 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.871 5.267 8.829 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.381 5.023 8.839 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.001 5.789 9.956 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.289 5.725 10.157 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.034 4.990 9.377 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -7.831 6.396 11.136 1.00 0.00 N ATOM 0 H ARG A 66 -1.511 3.209 6.147 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.396 5.529 8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.530 4.899 6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.588 3.444 7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.437 4.964 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.664 6.330 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.816 5.330 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.587 3.959 8.955 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.418 6.364 10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.609 4.466 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.041 4.939 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.248 6.971 11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.838 6.346 11.293 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.929 2.356 8.619 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.491 1.384 9.660 1.00 0.00 C ATOM 1070 C ASN A 67 -0.007 0.094 8.985 1.00 0.00 C ATOM 1071 O ASN A 67 -0.796 -0.717 8.539 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.667 1.059 10.586 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.254 -0.034 11.573 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.658 -1.172 11.442 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -0.458 0.265 12.563 1.00 0.00 N ATOM 0 H ASN A 67 -0.928 1.996 7.665 1.00 0.00 H new ATOM 0 HA ASN A 67 0.321 1.820 10.241 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.976 1.954 11.127 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.525 0.729 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.175 -0.457 13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.118 1.220 12.674 1.00 0.00 H new ATOM 1082 N ALA A 68 1.285 -0.100 8.906 1.00 0.00 N ATOM 1083 CA ALA A 68 1.815 -1.339 8.264 1.00 0.00 C ATOM 1084 C ALA A 68 1.757 -2.502 9.256 1.00 0.00 C ATOM 1085 O ALA A 68 1.764 -2.309 10.455 1.00 0.00 O ATOM 1086 CB ALA A 68 3.266 -1.118 7.832 1.00 0.00 C ATOM 0 H ALA A 68 1.993 0.544 9.257 1.00 0.00 H new ATOM 0 HA ALA A 68 1.206 -1.574 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.648 -2.025 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.312 -0.295 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.873 -0.877 8.705 1.00 0.00 H new ATOM 1092 N THR A 69 1.705 -3.711 8.761 1.00 0.00 N ATOM 1093 CA THR A 69 1.651 -4.900 9.665 1.00 0.00 C ATOM 1094 C THR A 69 2.443 -6.047 9.033 1.00 0.00 C ATOM 1095 O THR A 69 2.387 -6.268 7.840 1.00 0.00 O ATOM 1096 CB THR A 69 0.195 -5.330 9.857 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.540 -4.263 10.440 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.140 -6.552 10.776 1.00 0.00 C ATOM 0 H THR A 69 1.698 -3.928 7.764 1.00 0.00 H new ATOM 0 HA THR A 69 2.083 -4.645 10.633 1.00 0.00 H new ATOM 0 HB THR A 69 -0.240 -5.585 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.162 -3.894 9.778 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.897 -6.858 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.704 -7.370 10.328 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.574 -6.300 11.743 1.00 0.00 H new ATOM 1106 N HIS A 70 3.184 -6.774 9.822 1.00 0.00 N ATOM 1107 CA HIS A 70 3.983 -7.902 9.263 1.00 0.00 C ATOM 1108 C HIS A 70 3.054 -9.059 8.890 1.00 0.00 C ATOM 1109 O HIS A 70 3.274 -10.192 9.270 1.00 0.00 O ATOM 1110 CB HIS A 70 4.993 -8.378 10.310 1.00 0.00 C ATOM 1111 CG HIS A 70 5.710 -7.190 10.891 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.532 -6.789 12.208 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.609 -6.305 10.348 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.306 -5.707 12.411 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.982 -5.374 11.310 1.00 0.00 N ATOM 0 H HIS A 70 3.271 -6.637 10.829 1.00 0.00 H new ATOM 0 HA HIS A 70 4.511 -7.562 8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.482 -8.930 11.099 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.709 -9.062 9.855 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.970 -6.329 9.331 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.372 -5.175 13.348 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.635 -4.599 11.198 1.00 0.00 H new ATOM 1124 N TYR A 71 2.015 -8.785 8.148 1.00 0.00 N ATOM 1125 CA TYR A 71 1.075 -9.872 7.750 1.00 0.00 C ATOM 1126 C TYR A 71 0.691 -10.690 8.987 1.00 0.00 C ATOM 1127 O TYR A 71 0.923 -11.880 9.055 1.00 0.00 O ATOM 1128 CB TYR A 71 1.753 -10.779 6.716 1.00 0.00 C ATOM 1129 CG TYR A 71 0.880 -11.982 6.434 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.330 -11.821 5.750 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.281 -13.258 6.857 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.140 -12.933 5.486 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.471 -14.368 6.593 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.739 -14.206 5.908 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.537 -15.302 5.648 1.00 0.00 O ATOM 0 H TYR A 71 1.777 -7.856 7.800 1.00 0.00 H new ATOM 0 HA TYR A 71 0.176 -9.438 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.931 -10.225 5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.725 -11.103 7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.640 -10.839 5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.214 -13.384 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.073 -12.808 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.780 -15.351 6.918 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.112 -16.109 6.007 1.00 0.00 H new ATOM 1145 N SER A 72 0.106 -10.057 9.968 1.00 0.00 N ATOM 1146 CA SER A 72 -0.293 -10.794 11.200 1.00 0.00 C ATOM 1147 C SER A 72 -1.626 -11.505 10.957 1.00 0.00 C ATOM 1148 O SER A 72 -2.540 -10.949 10.380 1.00 0.00 O ATOM 1149 CB SER A 72 -0.445 -9.808 12.358 1.00 0.00 C ATOM 1150 OG SER A 72 0.760 -9.068 12.505 1.00 0.00 O ATOM 0 H SER A 72 -0.113 -9.061 9.969 1.00 0.00 H new ATOM 0 HA SER A 72 0.472 -11.529 11.448 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.279 -9.133 12.169 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.671 -10.344 13.280 1.00 0.00 H new ATOM 0 HG SER A 72 0.666 -8.433 13.246 1.00 0.00 H new ATOM 1156 N SER A 73 -1.745 -12.728 11.393 1.00 0.00 N ATOM 1157 CA SER A 73 -3.018 -13.471 11.186 1.00 0.00 C ATOM 1158 C SER A 73 -4.188 -12.635 11.708 1.00 0.00 C ATOM 1159 O SER A 73 -5.249 -12.596 11.117 1.00 0.00 O ATOM 1160 CB SER A 73 -2.963 -14.799 11.942 1.00 0.00 C ATOM 1161 OG SER A 73 -1.796 -15.511 11.555 1.00 0.00 O ATOM 0 H SER A 73 -1.015 -13.245 11.884 1.00 0.00 H new ATOM 0 HA SER A 73 -3.156 -13.664 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.953 -14.619 13.017 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.853 -15.391 11.726 1.00 0.00 H new ATOM 0 HG SER A 73 -1.757 -16.362 12.039 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.006 -11.965 12.813 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.110 -11.135 13.371 1.00 0.00 C ATOM 1169 C GLU A 74 -5.510 -10.062 12.357 1.00 0.00 C ATOM 1170 O GLU A 74 -6.658 -9.671 12.274 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.639 -10.464 14.663 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.531 -11.511 15.774 1.00 0.00 C ATOM 1173 CD GLU A 74 -4.212 -10.817 17.100 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.053 -10.507 17.320 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -5.133 -10.608 17.873 1.00 0.00 O ATOM 0 H GLU A 74 -3.141 -11.957 13.353 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.970 -11.771 13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.673 -9.985 14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.339 -9.681 14.954 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.465 -12.066 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.751 -12.234 15.533 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.573 -9.579 11.586 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.902 -8.527 10.579 1.00 0.00 C ATOM 1184 C ARG A 75 -5.487 -9.181 9.325 1.00 0.00 C ATOM 1185 O ARG A 75 -6.489 -8.744 8.795 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.627 -7.762 10.206 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.979 -6.506 9.385 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.295 -5.331 10.321 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.125 -5.073 11.208 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.176 -4.114 12.092 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.251 -3.382 12.200 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.151 -3.888 12.868 1.00 0.00 N ATOM 0 H ARG A 75 -3.595 -9.867 11.609 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.632 -7.837 11.002 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.089 -7.475 11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.963 -8.407 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.147 -6.245 8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.837 -6.710 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.526 -4.440 9.738 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.177 -5.557 10.921 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.285 -5.646 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.052 -3.559 11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.290 -2.633 12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.311 -4.461 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.190 -3.139 13.559 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.869 -10.226 8.846 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.387 -10.904 7.624 1.00 0.00 C ATOM 1208 C TRP A 76 -6.744 -11.544 7.928 1.00 0.00 C ATOM 1209 O TRP A 76 -7.594 -11.654 7.068 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.390 -11.982 7.183 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.974 -12.793 6.070 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.256 -14.115 6.139 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.352 -12.366 4.728 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.781 -14.525 4.928 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.860 -13.484 4.025 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.302 -11.129 4.058 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.305 -13.379 2.707 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.749 -11.021 2.731 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.249 -12.144 2.057 1.00 0.00 C ATOM 0 H TRP A 76 -4.028 -10.640 9.248 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.509 -10.174 6.824 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.460 -11.517 6.856 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.144 -12.629 8.025 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.097 -14.747 7.000 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.074 -15.481 4.726 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.918 -10.258 4.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.690 -14.247 2.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.707 -10.067 2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.590 -12.054 1.036 1.00 0.00 H new