USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -4.5! C(o=-4.2!,f=-9.8!) USER MOD Set 1.2: A 65 SER OG : rot -79:sc= 0.323 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 3 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.93) USER MOD Single : A 10 SER OG : rot 180:sc= -1.01 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 20:sc= -3.23! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.703 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 150:sc= -1.94 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -50:sc= -3.53! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -44:sc= 0.832 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 60 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.703 F(o=-1.5,f=-0.7) USER MOD Single : A 69 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.864 15.730 16.904 1.00 0.00 N ATOM 2 CA MET A 1 15.782 14.774 16.230 1.00 0.00 C ATOM 3 C MET A 1 15.007 13.644 15.561 1.00 0.00 C ATOM 4 O MET A 1 14.321 12.869 16.227 1.00 0.00 O ATOM 5 CB MET A 1 16.746 14.206 17.274 1.00 0.00 C ATOM 6 CG MET A 1 17.986 15.060 17.484 1.00 0.00 C ATOM 7 SD MET A 1 18.780 14.752 19.074 1.00 0.00 S ATOM 8 CE MET A 1 19.668 16.289 19.312 1.00 0.00 C ATOM 0 H1 MET A 1 15.419 16.488 17.350 1.00 0.00 H new ATOM 0 H2 MET A 1 14.216 16.142 16.203 1.00 0.00 H new ATOM 0 H3 MET A 1 14.314 15.229 17.631 1.00 0.00 H new ATOM 0 HA MET A 1 16.336 15.298 15.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.221 14.103 18.224 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.051 13.205 16.968 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.698 14.863 16.682 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.713 16.113 17.416 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.211 16.253 20.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.373 16.432 18.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.961 17.118 19.331 1.00 0.00 H new ATOM 20 N ASP A 2 15.121 13.557 14.239 1.00 0.00 N ATOM 21 CA ASP A 2 14.438 12.529 13.477 1.00 0.00 C ATOM 22 C ASP A 2 14.896 11.137 13.900 1.00 0.00 C ATOM 23 O ASP A 2 15.880 10.612 13.378 1.00 0.00 O ATOM 24 CB ASP A 2 14.699 12.739 11.987 1.00 0.00 C ATOM 25 CG ASP A 2 16.163 12.994 11.681 1.00 0.00 C ATOM 26 OD1 ASP A 2 16.912 12.011 11.500 1.00 0.00 O ATOM 27 OD2 ASP A 2 16.559 14.177 11.621 1.00 0.00 O ATOM 0 H ASP A 2 15.685 14.193 13.675 1.00 0.00 H new ATOM 0 HA ASP A 2 13.368 12.604 13.673 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.364 11.860 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.106 13.582 11.633 1.00 0.00 H new ATOM 32 N ASN A 3 14.177 10.546 14.848 1.00 0.00 N ATOM 33 CA ASN A 3 14.510 9.215 15.342 1.00 0.00 C ATOM 34 C ASN A 3 14.438 8.177 14.224 1.00 0.00 C ATOM 35 O ASN A 3 15.038 7.107 14.319 1.00 0.00 O ATOM 36 CB ASN A 3 13.573 8.824 16.482 1.00 0.00 C ATOM 37 CG ASN A 3 14.310 8.603 17.789 1.00 0.00 C ATOM 38 OD1 ASN A 3 15.307 7.882 17.838 1.00 0.00 O ATOM 39 ND2 ASN A 3 13.823 9.226 18.856 1.00 0.00 N ATOM 0 H ASN A 3 13.360 10.968 15.290 1.00 0.00 H new ATOM 0 HA ASN A 3 15.534 9.242 15.715 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.825 9.605 16.618 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.037 7.914 16.212 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.278 9.116 19.762 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.994 9.814 18.769 1.00 0.00 H new ATOM 46 N ASP A 4 13.701 8.501 13.167 1.00 0.00 N ATOM 47 CA ASP A 4 13.552 7.596 12.033 1.00 0.00 C ATOM 48 C ASP A 4 14.902 7.289 11.391 1.00 0.00 C ATOM 49 O ASP A 4 15.058 6.281 10.702 1.00 0.00 O ATOM 50 CB ASP A 4 12.602 8.195 10.999 1.00 0.00 C ATOM 51 CG ASP A 4 11.361 7.348 10.793 1.00 0.00 C ATOM 52 OD1 ASP A 4 10.499 7.329 11.695 1.00 0.00 O ATOM 53 OD2 ASP A 4 11.253 6.704 9.728 1.00 0.00 O ATOM 0 H ASP A 4 13.198 9.383 13.072 1.00 0.00 H new ATOM 0 HA ASP A 4 13.132 6.660 12.402 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.307 9.195 11.317 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.126 8.304 10.049 1.00 0.00 H new ATOM 58 N ALA A 5 15.875 8.166 11.619 1.00 0.00 N ATOM 59 CA ALA A 5 17.206 7.992 11.063 1.00 0.00 C ATOM 60 C ALA A 5 18.135 7.285 12.047 1.00 0.00 C ATOM 61 O ALA A 5 19.355 7.430 11.974 1.00 0.00 O ATOM 62 CB ALA A 5 17.788 9.338 10.659 1.00 0.00 C ATOM 0 H ALA A 5 15.763 9.006 12.187 1.00 0.00 H new ATOM 0 HA ALA A 5 17.119 7.362 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 5 18.785 9.193 10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 17.147 9.801 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 5 17.849 9.985 11.534 1.00 0.00 H new ATOM 68 N GLU A 6 17.553 6.522 12.968 1.00 0.00 N ATOM 69 CA GLU A 6 18.329 5.799 13.963 1.00 0.00 C ATOM 70 C GLU A 6 18.539 4.350 13.559 1.00 0.00 C ATOM 71 O GLU A 6 18.844 3.491 14.386 1.00 0.00 O ATOM 72 CB GLU A 6 17.631 5.855 15.309 1.00 0.00 C ATOM 73 CG GLU A 6 18.581 5.904 16.495 1.00 0.00 C ATOM 74 CD GLU A 6 18.133 6.887 17.559 1.00 0.00 C ATOM 75 OE1 GLU A 6 18.375 8.100 17.387 1.00 0.00 O ATOM 76 OE2 GLU A 6 17.541 6.443 18.565 1.00 0.00 O ATOM 0 H GLU A 6 16.544 6.390 13.043 1.00 0.00 H new ATOM 0 HA GLU A 6 19.305 6.278 14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.986 6.733 15.336 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.986 4.982 15.409 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.660 4.910 16.934 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.577 6.179 16.147 1.00 0.00 H new ATOM 83 N GLY A 7 18.371 4.102 12.283 1.00 0.00 N ATOM 84 CA GLY A 7 18.537 2.765 11.745 1.00 0.00 C ATOM 85 C GLY A 7 17.391 1.844 12.115 1.00 0.00 C ATOM 86 O GLY A 7 17.561 0.626 12.181 1.00 0.00 O ATOM 0 H GLY A 7 18.118 4.808 11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.618 2.821 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.472 2.342 12.113 1.00 0.00 H new ATOM 90 N VAL A 8 16.220 2.425 12.356 1.00 0.00 N ATOM 91 CA VAL A 8 15.044 1.659 12.719 1.00 0.00 C ATOM 92 C VAL A 8 14.610 0.728 11.589 1.00 0.00 C ATOM 93 O VAL A 8 13.863 -0.224 11.811 1.00 0.00 O ATOM 94 CB VAL A 8 13.878 2.592 13.079 1.00 0.00 C ATOM 95 CG1 VAL A 8 14.058 3.163 14.477 1.00 0.00 C ATOM 96 CG2 VAL A 8 13.740 3.708 12.053 1.00 0.00 C ATOM 0 H VAL A 8 16.065 3.432 12.305 1.00 0.00 H new ATOM 0 HA VAL A 8 15.310 1.055 13.587 1.00 0.00 H new ATOM 0 HB VAL A 8 12.959 2.006 13.066 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.221 3.821 14.712 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.094 2.349 15.201 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.988 3.729 14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.908 4.355 12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.660 4.292 12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.553 3.277 11.069 1.00 0.00 H new ATOM 106 N TRP A 9 15.082 1.010 10.379 1.00 0.00 N ATOM 107 CA TRP A 9 14.741 0.197 9.217 1.00 0.00 C ATOM 108 C TRP A 9 15.168 -1.254 9.419 1.00 0.00 C ATOM 109 O TRP A 9 16.313 -1.531 9.778 1.00 0.00 O ATOM 110 CB TRP A 9 15.395 0.767 7.961 1.00 0.00 C ATOM 111 CG TRP A 9 14.408 1.204 6.922 1.00 0.00 C ATOM 112 CD1 TRP A 9 13.408 0.452 6.375 1.00 0.00 C ATOM 113 CD2 TRP A 9 14.327 2.493 6.304 1.00 0.00 C ATOM 114 NE1 TRP A 9 12.710 1.196 5.454 1.00 0.00 N ATOM 115 CE2 TRP A 9 13.255 2.452 5.393 1.00 0.00 C ATOM 116 CE3 TRP A 9 15.057 3.678 6.433 1.00 0.00 C ATOM 117 CZ2 TRP A 9 12.896 3.550 4.615 1.00 0.00 C ATOM 118 CZ3 TRP A 9 14.699 4.768 5.661 1.00 0.00 C ATOM 119 CH2 TRP A 9 13.627 4.697 4.762 1.00 0.00 C ATOM 0 H TRP A 9 15.701 1.795 10.178 1.00 0.00 H new ATOM 0 HA TRP A 9 13.658 0.220 9.095 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.019 1.617 8.239 1.00 0.00 H new ATOM 0 HB3 TRP A 9 16.055 0.014 7.530 1.00 0.00 H new ATOM 0 HD1 TRP A 9 13.197 -0.576 6.629 1.00 0.00 H new ATOM 0 HE1 TRP A 9 11.916 0.867 4.905 1.00 0.00 H new ATOM 0 HE3 TRP A 9 15.885 3.741 7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 12.070 3.498 3.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 15.255 5.689 5.753 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.372 5.566 4.173 1.00 0.00 H new ATOM 130 N SER A 10 14.240 -2.176 9.185 1.00 0.00 N ATOM 131 CA SER A 10 14.515 -3.594 9.336 1.00 0.00 C ATOM 132 C SER A 10 13.936 -4.389 8.168 1.00 0.00 C ATOM 133 O SER A 10 12.936 -3.990 7.571 1.00 0.00 O ATOM 134 CB SER A 10 13.945 -4.110 10.659 1.00 0.00 C ATOM 135 OG SER A 10 14.882 -4.931 11.334 1.00 0.00 O ATOM 0 H SER A 10 13.288 -1.962 8.889 1.00 0.00 H new ATOM 0 HA SER A 10 15.596 -3.730 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.672 -3.267 11.294 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.032 -4.675 10.469 1.00 0.00 H new ATOM 0 HG SER A 10 14.494 -5.246 12.177 1.00 0.00 H new ATOM 141 N PRO A 11 14.559 -5.529 7.825 1.00 0.00 N ATOM 142 CA PRO A 11 14.100 -6.379 6.721 1.00 0.00 C ATOM 143 C PRO A 11 12.724 -6.980 6.981 1.00 0.00 C ATOM 144 O PRO A 11 12.020 -7.372 6.050 1.00 0.00 O ATOM 145 CB PRO A 11 15.160 -7.479 6.642 1.00 0.00 C ATOM 146 CG PRO A 11 15.787 -7.499 7.990 1.00 0.00 C ATOM 147 CD PRO A 11 15.757 -6.080 8.480 1.00 0.00 C ATOM 0 HA PRO A 11 13.991 -5.812 5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.713 -8.443 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.896 -7.265 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.240 -8.157 8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.810 -7.873 7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.682 -6.030 9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.658 -5.536 8.197 1.00 0.00 H new ATOM 155 N ASP A 12 12.348 -7.048 8.250 1.00 0.00 N ATOM 156 CA ASP A 12 11.057 -7.598 8.637 1.00 0.00 C ATOM 157 C ASP A 12 9.925 -6.645 8.275 1.00 0.00 C ATOM 158 O ASP A 12 8.780 -7.061 8.101 1.00 0.00 O ATOM 159 CB ASP A 12 11.033 -7.894 10.135 1.00 0.00 C ATOM 160 CG ASP A 12 10.967 -9.380 10.431 1.00 0.00 C ATOM 161 OD1 ASP A 12 12.036 -10.021 10.495 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.844 -9.902 10.599 1.00 0.00 O ATOM 0 H ASP A 12 12.921 -6.728 9.031 1.00 0.00 H new ATOM 0 HA ASP A 12 10.910 -8.528 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.925 -7.473 10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.174 -7.398 10.587 1.00 0.00 H new ATOM 167 N ILE A 13 10.255 -5.366 8.158 1.00 0.00 N ATOM 168 CA ILE A 13 9.272 -4.355 7.811 1.00 0.00 C ATOM 169 C ILE A 13 8.988 -4.376 6.322 1.00 0.00 C ATOM 170 O ILE A 13 7.837 -4.312 5.891 1.00 0.00 O ATOM 171 CB ILE A 13 9.729 -2.951 8.220 1.00 0.00 C ATOM 172 CG1 ILE A 13 10.274 -2.959 9.650 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.584 -1.959 8.087 1.00 0.00 C ATOM 174 CD1 ILE A 13 9.280 -3.462 10.674 1.00 0.00 C ATOM 0 H ILE A 13 11.199 -5.006 8.299 1.00 0.00 H new ATOM 0 HA ILE A 13 8.362 -4.593 8.361 1.00 0.00 H new ATOM 0 HB ILE A 13 10.531 -2.640 7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.167 -3.583 9.686 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.580 -1.948 9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.926 -0.967 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.244 -1.933 7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.761 -2.265 8.732 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.735 -3.440 11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.396 -2.825 10.666 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.992 -4.485 10.430 1.00 0.00 H new ATOM 186 N GLU A 14 10.050 -4.487 5.543 1.00 0.00 N ATOM 187 CA GLU A 14 9.932 -4.543 4.097 1.00 0.00 C ATOM 188 C GLU A 14 9.278 -5.851 3.677 1.00 0.00 C ATOM 189 O GLU A 14 8.665 -5.941 2.613 1.00 0.00 O ATOM 190 CB GLU A 14 11.306 -4.404 3.439 1.00 0.00 C ATOM 191 CG GLU A 14 11.249 -3.871 2.017 1.00 0.00 C ATOM 192 CD GLU A 14 11.310 -2.357 1.959 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.432 -1.809 1.940 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.236 -1.720 1.932 1.00 0.00 O ATOM 0 H GLU A 14 11.008 -4.540 5.890 1.00 0.00 H new ATOM 0 HA GLU A 14 9.307 -3.713 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.923 -3.739 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.797 -5.377 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.078 -4.287 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.330 -4.212 1.542 1.00 0.00 H new ATOM 201 N GLN A 15 9.406 -6.863 4.529 1.00 0.00 N ATOM 202 CA GLN A 15 8.825 -8.163 4.264 1.00 0.00 C ATOM 203 C GLN A 15 7.328 -8.132 4.493 1.00 0.00 C ATOM 204 O GLN A 15 6.548 -8.639 3.687 1.00 0.00 O ATOM 205 CB GLN A 15 9.476 -9.211 5.139 1.00 0.00 C ATOM 206 CG GLN A 15 10.644 -9.892 4.460 1.00 0.00 C ATOM 207 CD GLN A 15 10.217 -11.058 3.589 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.803 -12.103 4.090 1.00 0.00 O ATOM 209 NE2 GLN A 15 10.318 -10.884 2.276 1.00 0.00 N ATOM 0 H GLN A 15 9.911 -6.801 5.413 1.00 0.00 H new ATOM 0 HA GLN A 15 9.004 -8.421 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.819 -8.746 6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.734 -9.960 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.178 -9.164 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.343 -10.247 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.667 -10.001 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.047 -11.634 1.640 1.00 0.00 H new ATOM 218 N SER A 16 6.936 -7.508 5.590 1.00 0.00 N ATOM 219 CA SER A 16 5.530 -7.377 5.927 1.00 0.00 C ATOM 220 C SER A 16 4.824 -6.536 4.873 1.00 0.00 C ATOM 221 O SER A 16 3.614 -6.648 4.675 1.00 0.00 O ATOM 222 CB SER A 16 5.366 -6.741 7.309 1.00 0.00 C ATOM 223 OG SER A 16 4.030 -6.854 7.769 1.00 0.00 O ATOM 0 H SER A 16 7.573 -7.083 6.264 1.00 0.00 H new ATOM 0 HA SER A 16 5.081 -8.370 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.039 -7.224 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.651 -5.690 7.265 1.00 0.00 H new ATOM 0 HG SER A 16 3.574 -7.569 7.278 1.00 0.00 H new ATOM 229 N PHE A 17 5.599 -5.698 4.189 1.00 0.00 N ATOM 230 CA PHE A 17 5.065 -4.840 3.144 1.00 0.00 C ATOM 231 C PHE A 17 4.535 -5.673 1.992 1.00 0.00 C ATOM 232 O PHE A 17 3.480 -5.380 1.430 1.00 0.00 O ATOM 233 CB PHE A 17 6.139 -3.873 2.651 1.00 0.00 C ATOM 234 CG PHE A 17 5.893 -2.445 3.045 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.588 -2.117 4.356 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.971 -1.431 2.104 1.00 0.00 C ATOM 237 CE1 PHE A 17 5.364 -0.804 4.722 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.749 -0.115 2.464 1.00 0.00 C ATOM 239 CZ PHE A 17 5.445 0.199 3.775 1.00 0.00 C ATOM 0 H PHE A 17 6.602 -5.598 4.343 1.00 0.00 H new ATOM 0 HA PHE A 17 4.240 -4.261 3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.106 -4.187 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.200 -3.935 1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.525 -2.897 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.208 -1.671 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.126 -0.562 5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.813 0.667 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.271 1.226 4.059 1.00 0.00 H new ATOM 249 N GLN A 18 5.268 -6.722 1.653 1.00 0.00 N ATOM 250 CA GLN A 18 4.858 -7.608 0.574 1.00 0.00 C ATOM 251 C GLN A 18 3.566 -8.320 0.942 1.00 0.00 C ATOM 252 O GLN A 18 2.776 -8.687 0.075 1.00 0.00 O ATOM 253 CB GLN A 18 5.948 -8.635 0.260 1.00 0.00 C ATOM 254 CG GLN A 18 5.473 -9.763 -0.645 1.00 0.00 C ATOM 255 CD GLN A 18 6.618 -10.534 -1.271 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.258 -10.063 -2.211 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.883 -11.727 -0.751 1.00 0.00 N ATOM 0 H GLN A 18 6.145 -6.980 2.106 1.00 0.00 H new ATOM 0 HA GLN A 18 4.693 -7.001 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.789 -8.128 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.317 -9.059 1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.852 -10.448 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.845 -9.350 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.327 -12.079 0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.643 -12.292 -1.131 1.00 0.00 H new ATOM 266 N GLU A 19 3.362 -8.512 2.237 1.00 0.00 N ATOM 267 CA GLU A 19 2.167 -9.179 2.726 1.00 0.00 C ATOM 268 C GLU A 19 0.929 -8.359 2.411 1.00 0.00 C ATOM 269 O GLU A 19 -0.123 -8.904 2.087 1.00 0.00 O ATOM 270 CB GLU A 19 2.272 -9.432 4.228 1.00 0.00 C ATOM 271 CG GLU A 19 2.186 -10.902 4.605 1.00 0.00 C ATOM 272 CD GLU A 19 3.389 -11.696 4.135 1.00 0.00 C ATOM 273 OE1 GLU A 19 4.410 -11.709 4.855 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.311 -12.304 3.047 1.00 0.00 O ATOM 0 H GLU A 19 4.009 -8.215 2.967 1.00 0.00 H new ATOM 0 HA GLU A 19 2.080 -10.140 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.217 -9.027 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.476 -8.888 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.097 -10.991 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.281 -11.331 4.175 1.00 0.00 H new ATOM 281 N ALA A 20 1.067 -7.047 2.500 1.00 0.00 N ATOM 282 CA ALA A 20 -0.038 -6.150 2.215 1.00 0.00 C ATOM 283 C ALA A 20 -0.226 -5.993 0.715 1.00 0.00 C ATOM 284 O ALA A 20 -1.343 -5.812 0.231 1.00 0.00 O ATOM 285 CB ALA A 20 0.185 -4.797 2.875 1.00 0.00 C ATOM 0 H ALA A 20 1.934 -6.580 2.767 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.948 -6.584 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.654 -4.139 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.264 -4.927 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.106 -4.354 2.495 1.00 0.00 H new ATOM 291 N LEU A 21 0.876 -6.078 -0.014 1.00 0.00 N ATOM 292 CA LEU A 21 0.842 -5.962 -1.459 1.00 0.00 C ATOM 293 C LEU A 21 0.425 -7.285 -2.087 1.00 0.00 C ATOM 294 O LEU A 21 -0.184 -7.315 -3.156 1.00 0.00 O ATOM 295 CB LEU A 21 2.202 -5.520 -1.995 1.00 0.00 C ATOM 296 CG LEU A 21 2.207 -4.161 -2.696 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.176 -4.135 -3.813 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.940 -3.046 -1.694 1.00 0.00 C ATOM 0 H LEU A 21 1.807 -6.227 0.375 1.00 0.00 H new ATOM 0 HA LEU A 21 0.106 -5.204 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.910 -5.488 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.563 -6.274 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 21 3.192 -4.001 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.193 -3.161 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.410 -4.910 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.185 -4.315 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.947 -2.085 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.967 -3.201 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.715 -3.053 -0.927 1.00 0.00 H new ATOM 310 N SER A 22 0.746 -8.376 -1.403 1.00 0.00 N ATOM 311 CA SER A 22 0.397 -9.703 -1.875 1.00 0.00 C ATOM 312 C SER A 22 -1.070 -9.985 -1.597 1.00 0.00 C ATOM 313 O SER A 22 -1.747 -10.663 -2.371 1.00 0.00 O ATOM 314 CB SER A 22 1.275 -10.761 -1.205 1.00 0.00 C ATOM 315 OG SER A 22 2.525 -10.879 -1.863 1.00 0.00 O ATOM 0 H SER A 22 1.250 -8.364 -0.516 1.00 0.00 H new ATOM 0 HA SER A 22 0.568 -9.745 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.434 -10.497 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.763 -11.723 -1.216 1.00 0.00 H new ATOM 0 HG SER A 22 3.068 -11.560 -1.414 1.00 0.00 H new ATOM 321 N ILE A 23 -1.553 -9.448 -0.486 1.00 0.00 N ATOM 322 CA ILE A 23 -2.942 -9.622 -0.091 1.00 0.00 C ATOM 323 C ILE A 23 -3.838 -8.646 -0.841 1.00 0.00 C ATOM 324 O ILE A 23 -4.963 -8.972 -1.218 1.00 0.00 O ATOM 325 CB ILE A 23 -3.119 -9.441 1.435 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.048 -10.519 1.994 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.645 -8.052 1.778 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.327 -11.783 2.410 1.00 0.00 C ATOM 0 H ILE A 23 -1.000 -8.885 0.160 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.234 -10.640 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.138 -9.545 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.583 -10.116 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.796 -10.768 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.757 -7.962 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.942 -7.299 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.613 -7.901 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.048 -12.503 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.815 -12.210 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.598 -11.548 3.185 1.00 0.00 H new ATOM 340 N TYR A 24 -3.316 -7.448 -1.047 1.00 0.00 N ATOM 341 CA TYR A 24 -4.036 -6.398 -1.748 1.00 0.00 C ATOM 342 C TYR A 24 -3.323 -6.008 -3.041 1.00 0.00 C ATOM 343 O TYR A 24 -2.566 -5.038 -3.072 1.00 0.00 O ATOM 344 CB TYR A 24 -4.197 -5.174 -0.860 1.00 0.00 C ATOM 345 CG TYR A 24 -4.818 -5.468 0.486 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.052 -6.099 0.580 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.169 -5.115 1.661 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.622 -6.369 1.810 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.731 -5.382 2.894 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.958 -6.009 2.964 1.00 0.00 C ATOM 351 OH TYR A 24 -6.523 -6.278 4.190 1.00 0.00 O ATOM 0 H TYR A 24 -2.384 -7.177 -0.734 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.022 -6.787 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.219 -4.719 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.812 -4.439 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.574 -6.383 -0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.209 -4.623 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.583 -6.859 1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.213 -5.101 3.799 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.927 -5.962 4.901 1.00 0.00 H new ATOM 361 N PRO A 25 -3.556 -6.760 -4.132 1.00 0.00 N ATOM 362 CA PRO A 25 -2.941 -6.495 -5.423 1.00 0.00 C ATOM 363 C PRO A 25 -3.741 -5.489 -6.249 1.00 0.00 C ATOM 364 O PRO A 25 -4.863 -5.133 -5.891 1.00 0.00 O ATOM 365 CB PRO A 25 -2.936 -7.868 -6.108 1.00 0.00 C ATOM 366 CG PRO A 25 -3.814 -8.764 -5.285 1.00 0.00 C ATOM 367 CD PRO A 25 -4.434 -7.927 -4.199 1.00 0.00 C ATOM 0 HA PRO A 25 -1.949 -6.055 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.309 -7.792 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.923 -8.267 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.586 -9.218 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.232 -9.579 -4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.459 -7.646 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.467 -8.461 -3.249 1.00 0.00 H new ATOM 375 N PRO A 26 -3.170 -5.018 -7.371 1.00 0.00 N ATOM 376 CA PRO A 26 -3.836 -4.050 -8.248 1.00 0.00 C ATOM 377 C PRO A 26 -5.034 -4.648 -8.978 1.00 0.00 C ATOM 378 O PRO A 26 -5.874 -3.923 -9.511 1.00 0.00 O ATOM 379 CB PRO A 26 -2.744 -3.659 -9.243 1.00 0.00 C ATOM 380 CG PRO A 26 -1.826 -4.827 -9.267 1.00 0.00 C ATOM 381 CD PRO A 26 -1.836 -5.389 -7.873 1.00 0.00 C ATOM 0 HA PRO A 26 -4.241 -3.208 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.160 -3.461 -10.231 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.226 -2.753 -8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.160 -5.571 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.820 -4.527 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.692 -6.469 -7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.042 -4.962 -7.261 1.00 0.00 H new ATOM 389 N CYS A 27 -5.107 -5.974 -8.998 1.00 0.00 N ATOM 390 CA CYS A 27 -6.202 -6.670 -9.662 1.00 0.00 C ATOM 391 C CYS A 27 -7.530 -6.392 -8.963 1.00 0.00 C ATOM 392 O CYS A 27 -7.575 -6.203 -7.748 1.00 0.00 O ATOM 393 CB CYS A 27 -5.931 -8.172 -9.697 1.00 0.00 C ATOM 394 SG CYS A 27 -5.784 -8.856 -11.364 1.00 0.00 S ATOM 0 H CYS A 27 -4.420 -6.589 -8.561 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.269 -6.298 -10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.011 -8.377 -9.149 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.736 -8.688 -9.174 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.553 -10.133 -11.290 1.00 0.00 H new ATOM 400 N GLY A 28 -8.608 -6.370 -9.740 1.00 0.00 N ATOM 401 CA GLY A 28 -9.922 -6.115 -9.178 1.00 0.00 C ATOM 402 C GLY A 28 -9.999 -4.781 -8.464 1.00 0.00 C ATOM 403 O GLY A 28 -10.491 -4.698 -7.339 1.00 0.00 O ATOM 0 H GLY A 28 -8.595 -6.524 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.665 -6.140 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.176 -6.912 -8.480 1.00 0.00 H new ATOM 407 N ARG A 29 -9.510 -3.732 -9.119 1.00 0.00 N ATOM 408 CA ARG A 29 -9.524 -2.394 -8.540 1.00 0.00 C ATOM 409 C ARG A 29 -10.950 -1.949 -8.233 1.00 0.00 C ATOM 410 O ARG A 29 -11.677 -1.505 -9.122 1.00 0.00 O ATOM 411 CB ARG A 29 -8.860 -1.397 -9.490 1.00 0.00 C ATOM 412 CG ARG A 29 -8.176 -0.241 -8.779 1.00 0.00 C ATOM 413 CD ARG A 29 -9.126 0.929 -8.579 1.00 0.00 C ATOM 414 NE ARG A 29 -8.424 2.211 -8.582 1.00 0.00 N ATOM 415 CZ ARG A 29 -9.031 3.389 -8.459 1.00 0.00 C ATOM 416 NH1 ARG A 29 -10.350 3.453 -8.322 1.00 0.00 N ATOM 417 NH2 ARG A 29 -8.318 4.506 -8.472 1.00 0.00 N ATOM 0 H ARG A 29 -9.099 -3.784 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.963 -2.424 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.125 -1.923 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.613 -0.999 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.802 -0.577 -7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.313 0.085 -9.359 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.877 0.925 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.656 0.808 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.409 2.202 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.904 2.596 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.810 4.359 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.304 4.463 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.783 5.409 -8.378 1.00 0.00 H new ATOM 431 N ARG A 30 -11.344 -2.069 -6.969 1.00 0.00 N ATOM 432 CA ARG A 30 -12.682 -1.677 -6.544 1.00 0.00 C ATOM 433 C ARG A 30 -12.930 -0.198 -6.824 1.00 0.00 C ATOM 434 O ARG A 30 -12.112 0.469 -7.458 1.00 0.00 O ATOM 435 CB ARG A 30 -12.873 -1.969 -5.053 1.00 0.00 C ATOM 436 CG ARG A 30 -13.736 -3.189 -4.779 1.00 0.00 C ATOM 437 CD ARG A 30 -15.178 -2.799 -4.497 1.00 0.00 C ATOM 438 NE ARG A 30 -16.020 -3.965 -4.238 1.00 0.00 N ATOM 439 CZ ARG A 30 -16.508 -4.754 -5.193 1.00 0.00 C ATOM 440 NH1 ARG A 30 -16.240 -4.506 -6.469 1.00 0.00 N ATOM 441 NH2 ARG A 30 -17.265 -5.794 -4.871 1.00 0.00 N ATOM 0 H ARG A 30 -10.755 -2.435 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.404 -2.261 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.896 -2.114 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.325 -1.100 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.701 -3.861 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.333 -3.737 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.211 -2.130 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.577 -2.246 -5.347 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.247 -4.187 -3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.658 -3.708 -6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.616 -5.114 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.473 -5.989 -3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.639 -6.399 -5.602 1.00 0.00 H new ATOM 455 N LYS A 31 -14.061 0.309 -6.346 1.00 0.00 N ATOM 456 CA LYS A 31 -14.414 1.705 -6.542 1.00 0.00 C ATOM 457 C LYS A 31 -15.267 2.221 -5.388 1.00 0.00 C ATOM 458 O LYS A 31 -16.223 1.569 -4.969 1.00 0.00 O ATOM 459 CB LYS A 31 -15.159 1.886 -7.866 1.00 0.00 C ATOM 460 CG LYS A 31 -16.420 1.045 -7.974 1.00 0.00 C ATOM 461 CD LYS A 31 -16.708 0.657 -9.415 1.00 0.00 C ATOM 462 CE LYS A 31 -18.198 0.696 -9.715 1.00 0.00 C ATOM 463 NZ LYS A 31 -18.606 1.986 -10.337 1.00 0.00 N ATOM 0 H LYS A 31 -14.749 -0.230 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.491 2.284 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.422 2.937 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.490 1.630 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.312 0.145 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.266 1.601 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.182 1.335 -10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.323 -0.345 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.455 -0.126 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.758 0.545 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.629 1.972 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.384 2.769 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.091 2.119 -11.231 1.00 0.00 H new ATOM 477 N ILE A 32 -14.913 3.397 -4.878 1.00 0.00 N ATOM 478 CA ILE A 32 -15.640 4.005 -3.776 1.00 0.00 C ATOM 479 C ILE A 32 -15.474 5.521 -3.785 1.00 0.00 C ATOM 480 O ILE A 32 -14.503 6.045 -4.331 1.00 0.00 O ATOM 481 CB ILE A 32 -15.187 3.455 -2.407 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.246 2.258 -2.575 1.00 0.00 C ATOM 483 CG2 ILE A 32 -16.394 3.068 -1.565 1.00 0.00 C ATOM 484 CD1 ILE A 32 -13.639 1.779 -1.274 1.00 0.00 C ATOM 0 H ILE A 32 -14.123 3.947 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.690 3.750 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.638 4.244 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.795 1.436 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.445 2.530 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.058 2.682 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.022 3.944 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -16.968 2.300 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.984 0.930 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.062 2.586 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.433 1.476 -0.592 1.00 0.00 H new ATOM 496 N ILE A 33 -16.427 6.221 -3.177 1.00 0.00 N ATOM 497 CA ILE A 33 -16.384 7.674 -3.117 1.00 0.00 C ATOM 498 C ILE A 33 -17.403 8.216 -2.118 1.00 0.00 C ATOM 499 O ILE A 33 -18.577 7.847 -2.151 1.00 0.00 O ATOM 500 CB ILE A 33 -16.641 8.297 -4.504 1.00 0.00 C ATOM 501 CG1 ILE A 33 -16.336 9.796 -4.480 1.00 0.00 C ATOM 502 CG2 ILE A 33 -18.076 8.045 -4.949 1.00 0.00 C ATOM 503 CD1 ILE A 33 -15.044 10.159 -5.180 1.00 0.00 C ATOM 0 H ILE A 33 -17.237 5.803 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 33 -15.383 7.952 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.975 7.822 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -17.159 10.334 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.286 10.132 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.237 8.493 -5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -18.256 6.971 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -18.763 8.490 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -14.891 11.237 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.212 9.649 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.098 9.853 -6.225 1.00 0.00 H new ATOM 515 N LEU A 34 -16.945 9.091 -1.228 1.00 0.00 N ATOM 516 CA LEU A 34 -17.814 9.680 -0.217 1.00 0.00 C ATOM 517 C LEU A 34 -18.818 10.641 -0.844 1.00 0.00 C ATOM 518 O LEU A 34 -19.931 10.808 -0.345 1.00 0.00 O ATOM 519 CB LEU A 34 -16.983 10.404 0.841 1.00 0.00 C ATOM 520 CG LEU A 34 -17.108 9.842 2.259 1.00 0.00 C ATOM 521 CD1 LEU A 34 -15.987 8.853 2.541 1.00 0.00 C ATOM 522 CD2 LEU A 34 -17.097 10.968 3.282 1.00 0.00 C ATOM 0 H LEU A 34 -15.976 9.407 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.370 8.872 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.935 10.370 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -17.276 11.454 0.855 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.059 9.315 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.092 8.463 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -16.040 8.030 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -15.025 9.356 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.187 10.550 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.162 11.523 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.934 11.640 3.093 1.00 0.00 H new ATOM 534 N SER A 35 -18.414 11.270 -1.938 1.00 0.00 N ATOM 535 CA SER A 35 -19.272 12.218 -2.639 1.00 0.00 C ATOM 536 C SER A 35 -20.498 11.524 -3.226 1.00 0.00 C ATOM 537 O SER A 35 -21.501 12.171 -3.530 1.00 0.00 O ATOM 538 CB SER A 35 -18.489 12.928 -3.748 1.00 0.00 C ATOM 539 OG SER A 35 -17.221 12.326 -3.947 1.00 0.00 O ATOM 0 H SER A 35 -17.495 11.141 -2.362 1.00 0.00 H new ATOM 0 HA SER A 35 -19.614 12.958 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.059 12.897 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.359 13.979 -3.489 1.00 0.00 H new ATOM 0 HG SER A 35 -16.953 12.430 -4.884 1.00 0.00 H new ATOM 545 N ASP A 36 -20.414 10.207 -3.382 1.00 0.00 N ATOM 546 CA ASP A 36 -21.512 9.431 -3.929 1.00 0.00 C ATOM 547 C ASP A 36 -21.907 8.302 -2.983 1.00 0.00 C ATOM 548 O ASP A 36 -22.981 8.331 -2.381 1.00 0.00 O ATOM 549 CB ASP A 36 -21.134 8.862 -5.298 1.00 0.00 C ATOM 550 CG ASP A 36 -22.288 8.904 -6.280 1.00 0.00 C ATOM 551 OD1 ASP A 36 -23.057 7.922 -6.336 1.00 0.00 O ATOM 552 OD2 ASP A 36 -22.423 9.921 -6.994 1.00 0.00 O ATOM 0 H ASP A 36 -19.592 9.656 -3.135 1.00 0.00 H new ATOM 0 HA ASP A 36 -22.368 10.095 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.294 9.426 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.798 7.832 -5.180 1.00 0.00 H new ATOM 557 N GLU A 37 -21.034 7.309 -2.856 1.00 0.00 N ATOM 558 CA GLU A 37 -21.292 6.171 -1.983 1.00 0.00 C ATOM 559 C GLU A 37 -21.325 6.597 -0.518 1.00 0.00 C ATOM 560 O GLU A 37 -21.927 5.926 0.320 1.00 0.00 O ATOM 561 CB GLU A 37 -20.234 5.090 -2.194 1.00 0.00 C ATOM 562 CG GLU A 37 -20.799 3.779 -2.705 1.00 0.00 C ATOM 563 CD GLU A 37 -20.557 2.624 -1.752 1.00 0.00 C ATOM 564 OE1 GLU A 37 -21.384 2.427 -0.837 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.541 1.918 -1.921 1.00 0.00 O ATOM 0 H GLU A 37 -20.141 7.269 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.270 5.765 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.489 5.455 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.717 4.910 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.871 3.890 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.351 3.547 -3.671 1.00 0.00 H new ATOM 572 N GLY A 38 -20.675 7.715 -0.219 1.00 0.00 N ATOM 573 CA GLY A 38 -20.641 8.213 1.143 1.00 0.00 C ATOM 574 C GLY A 38 -19.971 7.249 2.104 1.00 0.00 C ATOM 575 O GLY A 38 -20.111 7.377 3.320 1.00 0.00 O ATOM 0 H GLY A 38 -20.170 8.286 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.112 9.166 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.659 8.406 1.480 1.00 0.00 H new ATOM 579 N LYS A 39 -19.230 6.289 1.559 1.00 0.00 N ATOM 580 CA LYS A 39 -18.526 5.317 2.367 1.00 0.00 C ATOM 581 C LYS A 39 -17.216 4.931 1.700 1.00 0.00 C ATOM 582 O LYS A 39 -17.159 3.993 0.904 1.00 0.00 O ATOM 583 CB LYS A 39 -19.392 4.076 2.590 1.00 0.00 C ATOM 584 CG LYS A 39 -19.226 3.457 3.968 1.00 0.00 C ATOM 585 CD LYS A 39 -20.054 4.189 5.011 1.00 0.00 C ATOM 586 CE LYS A 39 -19.315 4.295 6.335 1.00 0.00 C ATOM 587 NZ LYS A 39 -19.725 5.502 7.105 1.00 0.00 N ATOM 0 H LYS A 39 -19.105 6.169 0.554 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.309 5.765 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.439 4.343 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.145 3.331 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.524 2.409 3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.175 3.481 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.298 5.188 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.998 3.665 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.507 3.402 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.241 4.330 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.198 5.538 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.519 6.356 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.745 5.457 7.304 1.00 0.00 H new ATOM 601 N MET A 40 -16.166 5.657 2.039 1.00 0.00 N ATOM 602 CA MET A 40 -14.846 5.403 1.494 1.00 0.00 C ATOM 603 C MET A 40 -13.767 5.773 2.504 1.00 0.00 C ATOM 604 O MET A 40 -13.245 6.888 2.492 1.00 0.00 O ATOM 605 CB MET A 40 -14.643 6.187 0.196 1.00 0.00 C ATOM 606 CG MET A 40 -13.335 5.868 -0.510 1.00 0.00 C ATOM 607 SD MET A 40 -12.048 7.084 -0.171 1.00 0.00 S ATOM 608 CE MET A 40 -11.769 7.748 -1.811 1.00 0.00 C ATOM 0 H MET A 40 -16.204 6.436 2.697 1.00 0.00 H new ATOM 0 HA MET A 40 -14.767 4.338 1.276 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.472 5.976 -0.480 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.676 7.254 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.989 4.882 -0.198 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.509 5.819 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.996 8.515 -1.766 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.448 6.948 -2.478 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.693 8.186 -2.188 1.00 0.00 H new ATOM 618 N TYR A 41 -13.441 4.829 3.375 1.00 0.00 N ATOM 619 CA TYR A 41 -12.426 5.046 4.396 1.00 0.00 C ATOM 620 C TYR A 41 -11.029 5.052 3.783 1.00 0.00 C ATOM 621 O TYR A 41 -10.847 4.678 2.625 1.00 0.00 O ATOM 622 CB TYR A 41 -12.523 3.971 5.476 1.00 0.00 C ATOM 623 CG TYR A 41 -12.852 4.518 6.847 1.00 0.00 C ATOM 624 CD1 TYR A 41 -14.167 4.772 7.217 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.848 4.779 7.771 1.00 0.00 C ATOM 626 CE1 TYR A 41 -14.471 5.272 8.469 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.145 5.278 9.025 1.00 0.00 C ATOM 628 CZ TYR A 41 -13.457 5.523 9.369 1.00 0.00 C ATOM 629 OH TYR A 41 -13.756 6.021 10.616 1.00 0.00 O ATOM 0 H TYR A 41 -13.866 3.902 3.395 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.604 6.021 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.287 3.248 5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.577 3.432 5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.964 4.576 6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.819 4.589 7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.498 5.465 8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.353 5.475 9.732 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.929 6.140 11.128 1.00 0.00 H new ATOM 639 N GLY A 42 -10.045 5.477 4.569 1.00 0.00 N ATOM 640 CA GLY A 42 -8.678 5.521 4.086 1.00 0.00 C ATOM 641 C GLY A 42 -8.170 4.156 3.664 1.00 0.00 C ATOM 642 O GLY A 42 -7.876 3.308 4.506 1.00 0.00 O ATOM 0 H GLY A 42 -10.170 5.791 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.616 6.206 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.032 5.920 4.868 1.00 0.00 H new ATOM 646 N ARG A 43 -8.068 3.943 2.355 1.00 0.00 N ATOM 647 CA ARG A 43 -7.593 2.671 1.823 1.00 0.00 C ATOM 648 C ARG A 43 -6.191 2.351 2.330 1.00 0.00 C ATOM 649 O ARG A 43 -5.804 1.186 2.425 1.00 0.00 O ATOM 650 CB ARG A 43 -7.609 2.695 0.297 1.00 0.00 C ATOM 651 CG ARG A 43 -8.541 1.664 -0.318 1.00 0.00 C ATOM 652 CD ARG A 43 -8.263 1.476 -1.801 1.00 0.00 C ATOM 653 NE ARG A 43 -9.335 0.745 -2.471 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.556 -0.558 -2.310 1.00 0.00 C ATOM 655 NH1 ARG A 43 -8.782 -1.275 -1.506 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.554 -1.145 -2.956 1.00 0.00 N ATOM 0 H ARG A 43 -8.308 4.634 1.645 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.266 1.888 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.907 3.688 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.598 2.524 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.423 0.712 0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.575 1.977 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.139 2.451 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.323 0.939 -1.928 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.950 1.263 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.013 -0.828 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.956 -2.273 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.152 -0.598 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.724 -2.143 -2.833 1.00 0.00 H new ATOM 670 N ASN A 44 -5.438 3.392 2.653 1.00 0.00 N ATOM 671 CA ASN A 44 -4.079 3.227 3.151 1.00 0.00 C ATOM 672 C ASN A 44 -4.080 2.602 4.541 1.00 0.00 C ATOM 673 O ASN A 44 -3.115 1.951 4.942 1.00 0.00 O ATOM 674 CB ASN A 44 -3.355 4.571 3.177 1.00 0.00 C ATOM 675 CG ASN A 44 -2.164 4.606 2.238 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.607 3.566 1.886 1.00 0.00 O ATOM 677 ND2 ASN A 44 -1.768 5.805 1.829 1.00 0.00 N ATOM 0 H ASN A 44 -5.745 4.362 2.579 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.550 2.555 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.053 5.362 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.019 4.780 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.972 5.891 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.260 6.640 2.147 1.00 0.00 H new ATOM 684 N GLU A 45 -5.169 2.803 5.270 1.00 0.00 N ATOM 685 CA GLU A 45 -5.299 2.257 6.612 1.00 0.00 C ATOM 686 C GLU A 45 -5.481 0.746 6.564 1.00 0.00 C ATOM 687 O GLU A 45 -5.119 0.035 7.501 1.00 0.00 O ATOM 688 CB GLU A 45 -6.478 2.906 7.340 1.00 0.00 C ATOM 689 CG GLU A 45 -6.315 2.939 8.851 1.00 0.00 C ATOM 690 CD GLU A 45 -6.979 4.147 9.483 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.226 4.181 9.531 1.00 0.00 O ATOM 692 OE2 GLU A 45 -6.251 5.059 9.929 1.00 0.00 O ATOM 0 H GLU A 45 -5.976 3.341 4.953 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.383 2.478 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.604 3.925 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.390 2.363 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.740 2.031 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.253 2.942 9.098 1.00 0.00 H new ATOM 699 N LEU A 46 -6.041 0.264 5.462 1.00 0.00 N ATOM 700 CA LEU A 46 -6.272 -1.161 5.282 1.00 0.00 C ATOM 701 C LEU A 46 -4.965 -1.896 5.040 1.00 0.00 C ATOM 702 O LEU A 46 -4.713 -2.952 5.622 1.00 0.00 O ATOM 703 CB LEU A 46 -7.234 -1.404 4.121 1.00 0.00 C ATOM 704 CG LEU A 46 -8.410 -2.330 4.432 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.244 -2.566 3.182 1.00 0.00 C ATOM 706 CD2 LEU A 46 -7.912 -3.651 4.998 1.00 0.00 C ATOM 0 H LEU A 46 -6.344 0.842 4.678 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.720 -1.548 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.627 -0.443 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.672 -1.824 3.287 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.039 -1.850 5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.077 -3.227 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.629 -1.614 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.624 -3.026 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.762 -4.298 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.262 -4.137 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.354 -3.466 5.916 1.00 0.00 H new ATOM 718 N ILE A 47 -4.137 -1.326 4.184 1.00 0.00 N ATOM 719 CA ILE A 47 -2.850 -1.916 3.864 1.00 0.00 C ATOM 720 C ILE A 47 -1.882 -1.732 5.019 1.00 0.00 C ATOM 721 O ILE A 47 -1.025 -2.579 5.269 1.00 0.00 O ATOM 722 CB ILE A 47 -2.231 -1.325 2.576 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.795 0.067 2.271 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.462 -2.260 1.399 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.015 0.818 1.214 1.00 0.00 C ATOM 0 H ILE A 47 -4.334 -0.452 3.696 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.026 -2.978 3.691 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.158 -1.222 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.830 -0.033 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.806 0.655 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.020 -1.830 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.999 -3.225 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.533 -2.396 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.471 1.794 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.985 0.950 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.026 0.252 0.283 1.00 0.00 H new ATOM 737 N ALA A 48 -2.036 -0.626 5.728 1.00 0.00 N ATOM 738 CA ALA A 48 -1.191 -0.332 6.868 1.00 0.00 C ATOM 739 C ALA A 48 -1.625 -1.144 8.078 1.00 0.00 C ATOM 740 O ALA A 48 -0.826 -1.425 8.971 1.00 0.00 O ATOM 741 CB ALA A 48 -1.209 1.157 7.179 1.00 0.00 C ATOM 0 H ALA A 48 -2.742 0.084 5.531 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.168 -0.613 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.569 1.357 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.843 1.713 6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.228 1.469 7.406 1.00 0.00 H new ATOM 747 N ARG A 49 -2.893 -1.536 8.095 1.00 0.00 N ATOM 748 CA ARG A 49 -3.420 -2.336 9.185 1.00 0.00 C ATOM 749 C ARG A 49 -2.895 -3.760 9.082 1.00 0.00 C ATOM 750 O ARG A 49 -2.758 -4.461 10.085 1.00 0.00 O ATOM 751 CB ARG A 49 -4.950 -2.329 9.173 1.00 0.00 C ATOM 752 CG ARG A 49 -5.561 -1.323 10.135 1.00 0.00 C ATOM 753 CD ARG A 49 -6.871 -1.833 10.715 1.00 0.00 C ATOM 754 NE ARG A 49 -6.657 -2.876 11.716 1.00 0.00 N ATOM 755 CZ ARG A 49 -7.632 -3.624 12.227 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.888 -3.448 11.835 1.00 0.00 N ATOM 757 NH2 ARG A 49 -7.351 -4.551 13.132 1.00 0.00 N ATOM 0 H ARG A 49 -3.571 -1.312 7.367 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.087 -1.902 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.296 -2.110 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.312 -3.326 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.859 -1.118 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.734 -0.380 9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.415 -1.003 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.495 -2.224 9.912 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.705 -3.040 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.110 -2.737 11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.631 -4.024 12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.388 -4.691 13.437 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.098 -5.124 13.524 1.00 0.00 H new ATOM 771 N TYR A 50 -2.590 -4.174 7.857 1.00 0.00 N ATOM 772 CA TYR A 50 -2.063 -5.504 7.612 1.00 0.00 C ATOM 773 C TYR A 50 -0.659 -5.631 8.163 1.00 0.00 C ATOM 774 O TYR A 50 -0.358 -6.536 8.942 1.00 0.00 O ATOM 775 CB TYR A 50 -2.055 -5.806 6.124 1.00 0.00 C ATOM 776 CG TYR A 50 -2.020 -7.282 5.806 1.00 0.00 C ATOM 777 CD1 TYR A 50 -0.843 -8.007 5.935 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.160 -7.951 5.380 1.00 0.00 C ATOM 779 CE1 TYR A 50 -0.801 -9.356 5.648 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.127 -9.303 5.091 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.945 -10.000 5.226 1.00 0.00 C ATOM 782 OH TYR A 50 -1.907 -11.346 4.939 1.00 0.00 O ATOM 0 H TYR A 50 -2.700 -3.603 7.019 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.708 -6.222 8.119 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.942 -5.366 5.668 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.190 -5.324 5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.055 -7.507 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.087 -7.407 5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.123 -9.905 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.022 -9.810 4.761 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.157 -11.531 4.336 1.00 0.00 H new ATOM 792 N ILE A 51 0.192 -4.712 7.752 1.00 0.00 N ATOM 793 CA ILE A 51 1.573 -4.703 8.200 1.00 0.00 C ATOM 794 C ILE A 51 1.646 -4.501 9.705 1.00 0.00 C ATOM 795 O ILE A 51 2.543 -5.016 10.372 1.00 0.00 O ATOM 796 CB ILE A 51 2.412 -3.616 7.495 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.535 -2.462 6.998 1.00 0.00 C ATOM 798 CG2 ILE A 51 3.194 -4.223 6.341 1.00 0.00 C ATOM 799 CD1 ILE A 51 2.315 -1.202 6.692 1.00 0.00 C ATOM 0 H ILE A 51 -0.048 -3.959 7.107 1.00 0.00 H new ATOM 0 HA ILE A 51 1.993 -5.674 7.937 1.00 0.00 H new ATOM 0 HB ILE A 51 3.112 -3.208 8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.005 -2.779 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.780 -2.239 7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.782 -3.446 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.860 -4.998 6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.501 -4.661 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.632 -0.426 6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.824 -0.861 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.052 -1.410 5.916 1.00 0.00 H new ATOM 811 N LYS A 52 0.686 -3.758 10.233 1.00 0.00 N ATOM 812 CA LYS A 52 0.624 -3.493 11.662 1.00 0.00 C ATOM 813 C LYS A 52 0.243 -4.756 12.425 1.00 0.00 C ATOM 814 O LYS A 52 0.608 -4.928 13.588 1.00 0.00 O ATOM 815 CB LYS A 52 -0.381 -2.377 11.956 1.00 0.00 C ATOM 816 CG LYS A 52 -0.099 -1.632 13.251 1.00 0.00 C ATOM 817 CD LYS A 52 -0.345 -2.512 14.465 1.00 0.00 C ATOM 818 CE LYS A 52 -0.843 -1.700 15.650 1.00 0.00 C ATOM 819 NZ LYS A 52 -0.448 -2.312 16.948 1.00 0.00 N ATOM 0 H LYS A 52 -0.063 -3.327 9.692 1.00 0.00 H new ATOM 0 HA LYS A 52 1.611 -3.171 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.375 -1.667 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.383 -2.804 12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.934 -1.286 13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.732 -0.747 13.308 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.077 -3.281 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.577 -3.026 14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.444 -0.688 15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.929 -1.618 15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.807 -1.728 17.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.850 -3.269 17.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.589 -2.367 17.004 1.00 0.00 H new ATOM 833 N LEU A 53 -0.494 -5.637 11.758 1.00 0.00 N ATOM 834 CA LEU A 53 -0.929 -6.887 12.361 1.00 0.00 C ATOM 835 C LEU A 53 0.143 -7.968 12.234 1.00 0.00 C ATOM 836 O LEU A 53 0.104 -8.978 12.936 1.00 0.00 O ATOM 837 CB LEU A 53 -2.232 -7.360 11.711 1.00 0.00 C ATOM 838 CG LEU A 53 -3.435 -7.442 12.655 1.00 0.00 C ATOM 839 CD1 LEU A 53 -4.632 -6.716 12.061 1.00 0.00 C ATOM 840 CD2 LEU A 53 -3.784 -8.893 12.952 1.00 0.00 C ATOM 0 H LEU A 53 -0.803 -5.506 10.795 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.101 -6.706 13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.478 -6.684 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.065 -8.344 11.273 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.168 -6.954 13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.477 -6.786 12.746 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.379 -5.668 11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.899 -7.174 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.641 -8.931 13.624 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.029 -9.406 12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.932 -9.383 13.423 1.00 0.00 H new ATOM 852 N ARG A 54 1.096 -7.755 11.329 1.00 0.00 N ATOM 853 CA ARG A 54 2.172 -8.715 11.106 1.00 0.00 C ATOM 854 C ARG A 54 2.904 -9.042 12.400 1.00 0.00 C ATOM 855 O ARG A 54 3.129 -10.208 12.725 1.00 0.00 O ATOM 856 CB ARG A 54 3.160 -8.173 10.071 1.00 0.00 C ATOM 857 CG ARG A 54 4.247 -9.165 9.690 1.00 0.00 C ATOM 858 CD ARG A 54 3.712 -10.253 8.773 1.00 0.00 C ATOM 859 NE ARG A 54 3.345 -11.459 9.510 1.00 0.00 N ATOM 860 CZ ARG A 54 4.225 -12.356 9.950 1.00 0.00 C ATOM 861 NH1 ARG A 54 5.523 -12.186 9.730 1.00 0.00 N ATOM 862 NH2 ARG A 54 3.806 -13.426 10.613 1.00 0.00 N ATOM 0 H ARG A 54 1.144 -6.925 10.738 1.00 0.00 H new ATOM 0 HA ARG A 54 1.723 -9.634 10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.612 -7.885 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.626 -7.269 10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.063 -8.639 9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.660 -9.618 10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.841 -9.878 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.466 -10.500 8.026 1.00 0.00 H new ATOM 0 HE ARG A 54 2.356 -11.624 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.851 -11.365 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.193 -12.877 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.810 -13.561 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.480 -14.113 10.950 1.00 0.00 H new ATOM 876 N THR A 55 3.272 -8.004 13.128 1.00 0.00 N ATOM 877 CA THR A 55 3.981 -8.165 14.389 1.00 0.00 C ATOM 878 C THR A 55 3.925 -6.886 15.220 1.00 0.00 C ATOM 879 O THR A 55 4.839 -6.597 15.994 1.00 0.00 O ATOM 880 CB THR A 55 5.437 -8.556 14.130 1.00 0.00 C ATOM 881 OG1 THR A 55 6.101 -8.854 15.345 1.00 0.00 O ATOM 882 CG2 THR A 55 6.232 -7.478 13.423 1.00 0.00 C ATOM 0 H THR A 55 3.092 -7.034 12.868 1.00 0.00 H new ATOM 0 HA THR A 55 3.490 -8.959 14.952 1.00 0.00 H new ATOM 0 HB THR A 55 5.389 -9.431 13.482 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.869 -8.181 16.018 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.255 -7.821 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.774 -7.262 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.239 -6.573 14.031 1.00 0.00 H new ATOM 890 N GLY A 56 2.849 -6.124 15.056 1.00 0.00 N ATOM 891 CA GLY A 56 2.697 -4.887 15.798 1.00 0.00 C ATOM 892 C GLY A 56 3.782 -3.873 15.480 1.00 0.00 C ATOM 893 O GLY A 56 3.953 -2.893 16.205 1.00 0.00 O ATOM 0 H GLY A 56 2.080 -6.341 14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.723 -4.452 15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.711 -5.105 16.866 1.00 0.00 H new ATOM 897 N LYS A 57 4.514 -4.106 14.395 1.00 0.00 N ATOM 898 CA LYS A 57 5.581 -3.208 13.985 1.00 0.00 C ATOM 899 C LYS A 57 5.013 -1.981 13.279 1.00 0.00 C ATOM 900 O LYS A 57 3.800 -1.775 13.254 1.00 0.00 O ATOM 901 CB LYS A 57 6.566 -3.935 13.072 1.00 0.00 C ATOM 902 CG LYS A 57 7.958 -4.075 13.667 1.00 0.00 C ATOM 903 CD LYS A 57 8.583 -2.719 13.949 1.00 0.00 C ATOM 904 CE LYS A 57 9.966 -2.861 14.563 1.00 0.00 C ATOM 905 NZ LYS A 57 10.815 -1.665 14.303 1.00 0.00 N ATOM 0 H LYS A 57 4.385 -4.913 13.784 1.00 0.00 H new ATOM 0 HA LYS A 57 6.110 -2.876 14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.175 -4.927 12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.637 -3.398 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.903 -4.651 14.591 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.594 -4.634 12.980 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.652 -2.149 13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.940 -2.154 14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.872 -3.012 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.454 -3.747 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.750 -1.802 14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.926 -1.535 13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.363 -0.823 14.712 1.00 0.00 H new ATOM 919 N THR A 58 5.896 -1.170 12.701 1.00 0.00 N ATOM 920 CA THR A 58 5.477 0.035 11.990 1.00 0.00 C ATOM 921 C THR A 58 4.332 -0.272 11.028 1.00 0.00 C ATOM 922 O THR A 58 4.007 -1.435 10.788 1.00 0.00 O ATOM 923 CB THR A 58 6.658 0.637 11.225 1.00 0.00 C ATOM 924 OG1 THR A 58 6.313 1.901 10.686 1.00 0.00 O ATOM 925 CG2 THR A 58 7.142 -0.231 10.083 1.00 0.00 C ATOM 0 H THR A 58 6.904 -1.325 12.711 1.00 0.00 H new ATOM 0 HA THR A 58 5.124 0.758 12.725 1.00 0.00 H new ATOM 0 HB THR A 58 7.460 0.723 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.081 2.271 10.202 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.980 0.257 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.463 -1.197 10.471 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.332 -0.378 9.369 1.00 0.00 H new ATOM 933 N ARG A 59 3.730 0.773 10.473 1.00 0.00 N ATOM 934 CA ARG A 59 2.638 0.609 9.535 1.00 0.00 C ATOM 935 C ARG A 59 2.536 1.821 8.623 1.00 0.00 C ATOM 936 O ARG A 59 1.564 2.576 8.671 1.00 0.00 O ATOM 937 CB ARG A 59 1.319 0.395 10.281 1.00 0.00 C ATOM 938 CG ARG A 59 1.101 1.373 11.425 1.00 0.00 C ATOM 939 CD ARG A 59 -0.019 2.355 11.118 1.00 0.00 C ATOM 940 NE ARG A 59 0.304 3.710 11.558 1.00 0.00 N ATOM 941 CZ ARG A 59 -0.592 4.688 11.667 1.00 0.00 C ATOM 942 NH1 ARG A 59 -1.866 4.467 11.369 1.00 0.00 N ATOM 943 NH2 ARG A 59 -0.213 5.892 12.075 1.00 0.00 N ATOM 0 H ARG A 59 3.984 1.743 10.660 1.00 0.00 H new ATOM 0 HA ARG A 59 2.838 -0.271 8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.493 0.485 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.294 -0.622 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.863 0.822 12.335 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.024 1.921 11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.214 2.359 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.935 2.024 11.607 1.00 0.00 H new ATOM 0 HE ARG A 59 1.274 3.919 11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.163 3.543 11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.548 5.221 11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.765 6.068 12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.900 6.642 12.159 1.00 0.00 H new ATOM 957 N THR A 60 3.547 1.994 7.787 1.00 0.00 N ATOM 958 CA THR A 60 3.583 3.107 6.848 1.00 0.00 C ATOM 959 C THR A 60 2.407 3.026 5.881 1.00 0.00 C ATOM 960 O THR A 60 1.988 1.937 5.492 1.00 0.00 O ATOM 961 CB THR A 60 4.904 3.109 6.073 1.00 0.00 C ATOM 962 OG1 THR A 60 5.558 1.858 6.193 1.00 0.00 O ATOM 963 CG2 THR A 60 5.869 4.178 6.539 1.00 0.00 C ATOM 0 H THR A 60 4.357 1.376 7.738 1.00 0.00 H new ATOM 0 HA THR A 60 3.507 4.036 7.413 1.00 0.00 H new ATOM 0 HB THR A 60 4.631 3.314 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.047 1.174 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.784 4.124 5.949 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.413 5.160 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.106 4.021 7.591 1.00 0.00 H new ATOM 971 N ARG A 61 1.872 4.181 5.498 1.00 0.00 N ATOM 972 CA ARG A 61 0.745 4.229 4.582 1.00 0.00 C ATOM 973 C ARG A 61 1.161 4.785 3.230 1.00 0.00 C ATOM 974 O ARG A 61 0.758 4.279 2.183 1.00 0.00 O ATOM 975 CB ARG A 61 -0.389 5.070 5.171 1.00 0.00 C ATOM 976 CG ARG A 61 0.081 6.375 5.792 1.00 0.00 C ATOM 977 CD ARG A 61 -1.091 7.223 6.259 1.00 0.00 C ATOM 978 NE ARG A 61 -0.702 8.166 7.305 1.00 0.00 N ATOM 979 CZ ARG A 61 0.032 9.254 7.086 1.00 0.00 C ATOM 980 NH1 ARG A 61 0.458 9.541 5.862 1.00 0.00 N ATOM 981 NH2 ARG A 61 0.341 10.059 8.094 1.00 0.00 N ATOM 0 H ARG A 61 2.203 5.094 5.809 1.00 0.00 H new ATOM 0 HA ARG A 61 0.389 3.209 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.112 5.291 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.910 4.484 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.737 6.162 6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.669 6.934 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.502 7.771 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.882 6.573 6.633 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.011 7.979 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.223 8.926 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.020 10.377 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.016 9.844 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.904 10.893 7.927 1.00 0.00 H new ATOM 995 N LYS A 62 1.970 5.828 3.266 1.00 0.00 N ATOM 996 CA LYS A 62 2.451 6.465 2.051 1.00 0.00 C ATOM 997 C LYS A 62 3.450 5.573 1.328 1.00 0.00 C ATOM 998 O LYS A 62 3.571 5.621 0.103 1.00 0.00 O ATOM 999 CB LYS A 62 3.085 7.815 2.375 1.00 0.00 C ATOM 1000 CG LYS A 62 2.441 8.982 1.644 1.00 0.00 C ATOM 1001 CD LYS A 62 2.888 9.045 0.193 1.00 0.00 C ATOM 1002 CE LYS A 62 4.100 9.947 0.022 1.00 0.00 C ATOM 1003 NZ LYS A 62 4.095 10.641 -1.295 1.00 0.00 N ATOM 0 H LYS A 62 2.310 6.255 4.128 1.00 0.00 H new ATOM 0 HA LYS A 62 1.598 6.626 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.019 7.989 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.145 7.779 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.356 8.886 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.699 9.914 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.127 8.042 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.069 9.413 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.117 10.687 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.010 9.354 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.938 11.246 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.104 9.936 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.240 11.227 -1.375 1.00 0.00 H new ATOM 1017 N GLN A 63 4.159 4.758 2.093 1.00 0.00 N ATOM 1018 CA GLN A 63 5.145 3.851 1.532 1.00 0.00 C ATOM 1019 C GLN A 63 4.473 2.621 0.941 1.00 0.00 C ATOM 1020 O GLN A 63 4.965 2.032 -0.022 1.00 0.00 O ATOM 1021 CB GLN A 63 6.164 3.443 2.594 1.00 0.00 C ATOM 1022 CG GLN A 63 7.584 3.882 2.275 1.00 0.00 C ATOM 1023 CD GLN A 63 7.909 5.253 2.834 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.017 6.069 3.067 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.193 5.515 3.050 1.00 0.00 N ATOM 0 H GLN A 63 4.069 4.707 3.108 1.00 0.00 H new ATOM 0 HA GLN A 63 5.669 4.373 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.868 3.869 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.144 2.359 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.286 3.153 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.723 3.892 1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.899 4.809 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.473 6.422 3.423 1.00 0.00 H new ATOM 1034 N VAL A 64 3.342 2.242 1.520 1.00 0.00 N ATOM 1035 CA VAL A 64 2.597 1.088 1.048 1.00 0.00 C ATOM 1036 C VAL A 64 1.745 1.443 -0.162 1.00 0.00 C ATOM 1037 O VAL A 64 1.363 0.570 -0.938 1.00 0.00 O ATOM 1038 CB VAL A 64 1.691 0.501 2.148 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.026 -0.781 1.667 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.487 0.250 3.418 1.00 0.00 C ATOM 0 H VAL A 64 2.922 2.719 2.318 1.00 0.00 H new ATOM 0 HA VAL A 64 3.334 0.337 0.765 1.00 0.00 H new ATOM 0 HB VAL A 64 0.909 1.227 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.391 -1.180 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.419 -0.568 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.791 -1.514 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.830 -0.164 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.292 -0.455 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.911 1.189 3.773 1.00 0.00 H new ATOM 1050 N SER A 65 1.463 2.730 -0.328 1.00 0.00 N ATOM 1051 CA SER A 65 0.672 3.192 -1.454 1.00 0.00 C ATOM 1052 C SER A 65 1.570 3.405 -2.658 1.00 0.00 C ATOM 1053 O SER A 65 1.162 3.214 -3.802 1.00 0.00 O ATOM 1054 CB SER A 65 -0.065 4.486 -1.103 1.00 0.00 C ATOM 1055 OG SER A 65 0.740 5.329 -0.297 1.00 0.00 O ATOM 0 H SER A 65 1.772 3.469 0.304 1.00 0.00 H new ATOM 0 HA SER A 65 -0.073 2.433 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.343 5.009 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.990 4.250 -0.577 1.00 0.00 H new ATOM 0 HG SER A 65 0.718 5.013 0.631 1.00 0.00 H new ATOM 1061 N SER A 66 2.805 3.788 -2.377 1.00 0.00 N ATOM 1062 CA SER A 66 3.793 4.019 -3.410 1.00 0.00 C ATOM 1063 C SER A 66 4.233 2.701 -4.026 1.00 0.00 C ATOM 1064 O SER A 66 4.545 2.625 -5.214 1.00 0.00 O ATOM 1065 CB SER A 66 4.991 4.747 -2.821 1.00 0.00 C ATOM 1066 OG SER A 66 5.401 5.821 -3.651 1.00 0.00 O ATOM 0 H SER A 66 3.147 3.946 -1.429 1.00 0.00 H new ATOM 0 HA SER A 66 3.349 4.635 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.738 5.126 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.817 4.048 -2.693 1.00 0.00 H new ATOM 0 HG SER A 66 6.172 6.271 -3.246 1.00 0.00 H new ATOM 1072 N HIS A 67 4.256 1.666 -3.199 1.00 0.00 N ATOM 1073 CA HIS A 67 4.659 0.339 -3.642 1.00 0.00 C ATOM 1074 C HIS A 67 3.627 -0.263 -4.584 1.00 0.00 C ATOM 1075 O HIS A 67 3.973 -0.942 -5.550 1.00 0.00 O ATOM 1076 CB HIS A 67 4.876 -0.582 -2.441 1.00 0.00 C ATOM 1077 CG HIS A 67 5.634 -1.829 -2.772 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.405 -3.121 -2.436 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.782 -1.833 -3.537 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.407 -3.872 -2.999 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.224 -3.072 -3.658 1.00 0.00 N flip ATOM 0 H HIS A 67 3.999 1.720 -2.213 1.00 0.00 H new ATOM 0 HA HIS A 67 5.598 0.439 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.413 -0.035 -1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.907 -0.856 -2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.247 -0.959 -3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.510 -4.944 -2.916 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.055 -3.361 -4.173 1.00 0.00 H new ATOM 1090 N ILE A 68 2.360 -0.006 -4.300 1.00 0.00 N ATOM 1091 CA ILE A 68 1.279 -0.519 -5.129 1.00 0.00 C ATOM 1092 C ILE A 68 1.221 0.223 -6.455 1.00 0.00 C ATOM 1093 O ILE A 68 0.789 -0.325 -7.469 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.090 -0.410 -4.427 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.007 -0.941 -2.996 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.149 -1.170 -5.212 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.971 -0.263 -2.048 1.00 0.00 C ATOM 0 H ILE A 68 2.055 0.553 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 68 1.491 -1.573 -5.306 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.372 0.642 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.207 -2.012 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.009 -0.809 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.110 -1.084 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.230 -0.750 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.867 -2.221 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.859 -0.688 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.757 0.805 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.992 -0.417 -2.396 1.00 0.00 H new ATOM 1109 N GLN A 69 1.669 1.471 -6.440 1.00 0.00 N ATOM 1110 CA GLN A 69 1.681 2.291 -7.638 1.00 0.00 C ATOM 1111 C GLN A 69 2.782 1.838 -8.587 1.00 0.00 C ATOM 1112 O GLN A 69 2.681 2.011 -9.802 1.00 0.00 O ATOM 1113 CB GLN A 69 1.868 3.766 -7.276 1.00 0.00 C ATOM 1114 CG GLN A 69 0.655 4.382 -6.597 1.00 0.00 C ATOM 1115 CD GLN A 69 0.258 5.713 -7.206 1.00 0.00 C ATOM 1116 OE1 GLN A 69 0.508 5.969 -8.384 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -0.365 6.568 -6.404 1.00 0.00 N ATOM 0 H GLN A 69 2.030 1.937 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 69 0.721 2.175 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.732 3.864 -6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.092 4.329 -8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.185 3.691 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.868 4.521 -5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.552 6.314 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.657 7.479 -6.758 1.00 0.00 H new ATOM 1126 N VAL A 70 3.831 1.249 -8.023 1.00 0.00 N ATOM 1127 CA VAL A 70 4.947 0.762 -8.817 1.00 0.00 C ATOM 1128 C VAL A 70 4.554 -0.475 -9.610 1.00 0.00 C ATOM 1129 O VAL A 70 5.092 -0.735 -10.687 1.00 0.00 O ATOM 1130 CB VAL A 70 6.166 0.435 -7.948 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.401 0.230 -8.812 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.401 1.526 -6.912 1.00 0.00 C ATOM 0 H VAL A 70 3.929 1.099 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 70 5.215 1.565 -9.504 1.00 0.00 H new ATOM 0 HB VAL A 70 5.966 -0.495 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.256 -0.001 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.229 -0.595 -9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.605 1.140 -9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.271 1.272 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.575 2.476 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.525 1.612 -6.269 1.00 0.00 H new ATOM 1142 N LEU A 71 3.607 -1.233 -9.073 1.00 0.00 N ATOM 1143 CA LEU A 71 3.134 -2.442 -9.730 1.00 0.00 C ATOM 1144 C LEU A 71 2.328 -2.099 -10.975 1.00 0.00 C ATOM 1145 O LEU A 71 2.301 -2.860 -11.942 1.00 0.00 O ATOM 1146 CB LEU A 71 2.293 -3.279 -8.767 1.00 0.00 C ATOM 1147 CG LEU A 71 2.852 -4.670 -8.462 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.813 -4.613 -7.286 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.720 -5.648 -8.182 1.00 0.00 C ATOM 0 H LEU A 71 3.151 -1.031 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 71 4.002 -3.027 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.189 -2.732 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.292 -3.390 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 71 3.401 -5.020 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.200 -5.612 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.640 -3.944 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.289 -4.242 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.135 -6.633 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.144 -5.302 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.069 -5.711 -9.054 1.00 0.00 H new ATOM 1161 N ALA A 72 1.677 -0.944 -10.943 1.00 0.00 N ATOM 1162 CA ALA A 72 0.875 -0.489 -12.068 1.00 0.00 C ATOM 1163 C ALA A 72 1.760 -0.105 -13.245 1.00 0.00 C ATOM 1164 O ALA A 72 1.344 -0.181 -14.402 1.00 0.00 O ATOM 1165 CB ALA A 72 -0.003 0.683 -11.655 1.00 0.00 C ATOM 0 H ALA A 72 1.689 -0.305 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 72 0.232 -1.311 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.597 1.011 -12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.667 0.373 -10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.625 1.505 -11.312 1.00 0.00 H new ATOM 1171 N ARG A 73 2.984 0.304 -12.940 1.00 0.00 N ATOM 1172 CA ARG A 73 3.937 0.698 -13.967 1.00 0.00 C ATOM 1173 C ARG A 73 4.410 -0.515 -14.757 1.00 0.00 C ATOM 1174 O ARG A 73 4.758 -0.408 -15.933 1.00 0.00 O ATOM 1175 CB ARG A 73 5.134 1.414 -13.338 1.00 0.00 C ATOM 1176 CG ARG A 73 4.856 2.865 -12.982 1.00 0.00 C ATOM 1177 CD ARG A 73 5.702 3.321 -11.804 1.00 0.00 C ATOM 1178 NE ARG A 73 5.814 4.776 -11.742 1.00 0.00 N ATOM 1179 CZ ARG A 73 4.828 5.580 -11.350 1.00 0.00 C ATOM 1180 NH1 ARG A 73 3.656 5.074 -10.985 1.00 0.00 N ATOM 1181 NH2 ARG A 73 5.013 6.892 -11.323 1.00 0.00 N ATOM 0 H ARG A 73 3.340 0.371 -11.987 1.00 0.00 H new ATOM 0 HA ARG A 73 3.436 1.383 -14.651 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.435 0.879 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.976 1.373 -14.029 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.061 3.498 -13.845 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.800 2.986 -12.741 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.263 2.951 -10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.697 2.884 -11.882 1.00 0.00 H new ATOM 0 HE ARG A 73 6.700 5.201 -12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.508 4.065 -11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.904 5.694 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.911 7.286 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.257 7.508 -11.023 1.00 0.00 H new ATOM 1195 N ARG A 74 4.417 -1.668 -14.101 1.00 0.00 N ATOM 1196 CA ARG A 74 4.843 -2.906 -14.736 1.00 0.00 C ATOM 1197 C ARG A 74 3.832 -3.354 -15.783 1.00 0.00 C ATOM 1198 O ARG A 74 4.188 -3.975 -16.784 1.00 0.00 O ATOM 1199 CB ARG A 74 5.035 -4.005 -13.689 1.00 0.00 C ATOM 1200 CG ARG A 74 6.027 -5.078 -14.107 1.00 0.00 C ATOM 1201 CD ARG A 74 6.693 -5.721 -12.902 1.00 0.00 C ATOM 1202 NE ARG A 74 8.054 -6.163 -13.199 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.083 -5.335 -13.363 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.912 -4.023 -13.259 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.288 -5.821 -13.631 1.00 0.00 N ATOM 0 H ARG A 74 4.132 -1.771 -13.127 1.00 0.00 H new ATOM 0 HA ARG A 74 5.796 -2.721 -15.232 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.374 -3.552 -12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.072 -4.472 -13.484 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.514 -5.842 -14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.787 -4.640 -14.754 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.715 -5.009 -12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.099 -6.573 -12.571 1.00 0.00 H new ATOM 0 HE ARG A 74 8.225 -7.165 -13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.988 -3.644 -13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.705 -3.394 -13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.425 -6.829 -13.711 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.077 -5.187 -13.757 1.00 0.00 H new ATOM 1219 N LYS A 75 2.570 -3.032 -15.540 1.00 0.00 N ATOM 1220 CA LYS A 75 1.496 -3.394 -16.453 1.00 0.00 C ATOM 1221 C LYS A 75 1.382 -2.387 -17.593 1.00 0.00 C ATOM 1222 O LYS A 75 0.883 -2.708 -18.671 1.00 0.00 O ATOM 1223 CB LYS A 75 0.167 -3.486 -15.701 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.793 -4.508 -16.286 1.00 0.00 C ATOM 1225 CD LYS A 75 -1.598 -5.203 -15.200 1.00 0.00 C ATOM 1226 CE LYS A 75 -2.132 -6.545 -15.675 1.00 0.00 C ATOM 1227 NZ LYS A 75 -2.148 -7.555 -14.581 1.00 0.00 N ATOM 0 H LYS A 75 2.264 -2.518 -14.714 1.00 0.00 H new ATOM 0 HA LYS A 75 1.732 -4.369 -16.880 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.365 -3.740 -14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.312 -2.507 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.471 -4.015 -16.983 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.233 -5.249 -16.856 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.972 -5.350 -14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.429 -4.566 -14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.142 -6.416 -16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.517 -6.910 -16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.519 -8.456 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.181 -7.697 -14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.756 -7.219 -13.807 1.00 0.00 H new ATOM 1241 N SER A 76 1.846 -1.168 -17.344 1.00 0.00 N ATOM 1242 CA SER A 76 1.797 -0.110 -18.344 1.00 0.00 C ATOM 1243 C SER A 76 2.747 -0.395 -19.506 1.00 0.00 C ATOM 1244 O SER A 76 2.677 0.258 -20.547 1.00 0.00 O ATOM 1245 CB SER A 76 2.143 1.237 -17.707 1.00 0.00 C ATOM 1246 OG SER A 76 0.999 1.833 -17.120 1.00 0.00 O ATOM 0 H SER A 76 2.261 -0.888 -16.455 1.00 0.00 H new ATOM 0 HA SER A 76 0.782 -0.073 -18.738 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.913 1.097 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.557 1.904 -18.463 1.00 0.00 H new ATOM 0 HG SER A 76 1.247 2.692 -16.718 1.00 0.00 H new ATOM 1252 N ARG A 77 3.635 -1.371 -19.326 1.00 0.00 N ATOM 1253 CA ARG A 77 4.592 -1.733 -20.366 1.00 0.00 C ATOM 1254 C ARG A 77 3.882 -2.080 -21.672 1.00 0.00 C ATOM 1255 O ARG A 77 4.476 -2.015 -22.748 1.00 0.00 O ATOM 1256 CB ARG A 77 5.452 -2.914 -19.909 1.00 0.00 C ATOM 1257 CG ARG A 77 6.186 -2.664 -18.601 1.00 0.00 C ATOM 1258 CD ARG A 77 7.237 -1.575 -18.747 1.00 0.00 C ATOM 1259 NE ARG A 77 8.498 -2.096 -19.270 1.00 0.00 N ATOM 1260 CZ ARG A 77 8.791 -2.178 -20.567 1.00 0.00 C ATOM 1261 NH1 ARG A 77 7.917 -1.779 -21.483 1.00 0.00 N ATOM 1262 NH2 ARG A 77 9.965 -2.662 -20.950 1.00 0.00 N ATOM 0 H ARG A 77 3.711 -1.923 -18.472 1.00 0.00 H new ATOM 0 HA ARG A 77 5.234 -0.871 -20.545 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.817 -3.793 -19.797 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.181 -3.144 -20.686 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.470 -2.378 -17.830 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.661 -3.587 -18.268 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.863 -0.797 -19.412 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.412 -1.108 -17.778 1.00 0.00 H new ATOM 0 HE ARG A 77 9.197 -2.417 -18.600 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.012 -1.406 -21.196 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.150 -1.846 -22.474 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.642 -2.971 -20.252 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.191 -2.726 -21.943 1.00 0.00 H new ATOM 1276 N ASP A 78 2.610 -2.448 -21.570 1.00 0.00 N ATOM 1277 CA ASP A 78 1.822 -2.804 -22.742 1.00 0.00 C ATOM 1278 C ASP A 78 1.592 -1.592 -23.640 1.00 0.00 C ATOM 1279 O ASP A 78 1.337 -1.732 -24.836 1.00 0.00 O ATOM 1280 CB ASP A 78 0.483 -3.405 -22.318 1.00 0.00 C ATOM 1281 CG ASP A 78 0.324 -4.843 -22.773 1.00 0.00 C ATOM 1282 OD1 ASP A 78 0.831 -5.746 -22.075 1.00 0.00 O ATOM 1283 OD2 ASP A 78 -0.308 -5.066 -23.827 1.00 0.00 O ATOM 0 H ASP A 78 2.103 -2.507 -20.687 1.00 0.00 H new ATOM 0 HA ASP A 78 2.382 -3.547 -23.310 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.395 -3.358 -21.233 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.328 -2.805 -22.730 1.00 0.00 H new ATOM 1288 N LEU A 79 1.685 -0.404 -23.055 1.00 0.00 N ATOM 1289 CA LEU A 79 1.488 0.834 -23.801 1.00 0.00 C ATOM 1290 C LEU A 79 2.522 0.970 -24.913 1.00 0.00 C ATOM 1291 O LEU A 79 3.575 1.578 -24.724 1.00 0.00 O ATOM 1292 CB LEU A 79 1.571 2.039 -22.861 1.00 0.00 C ATOM 1293 CG LEU A 79 0.710 3.236 -23.266 1.00 0.00 C ATOM 1294 CD1 LEU A 79 -0.688 3.111 -22.680 1.00 0.00 C ATOM 1295 CD2 LEU A 79 1.363 4.536 -22.819 1.00 0.00 C ATOM 0 H LEU A 79 1.896 -0.271 -22.066 1.00 0.00 H new ATOM 0 HA LEU A 79 0.497 0.802 -24.254 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.277 1.721 -21.861 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.610 2.362 -22.800 1.00 0.00 H new ATOM 0 HG LEU A 79 0.626 3.248 -24.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.286 3.972 -22.979 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.156 2.198 -23.048 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.625 3.073 -21.592 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.737 5.378 -23.115 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.477 4.532 -21.735 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.343 4.630 -23.286 1.00 0.00 H new ATOM 1307 N VAL A 80 2.214 0.400 -26.073 1.00 0.00 N ATOM 1308 CA VAL A 80 3.116 0.458 -27.216 1.00 0.00 C ATOM 1309 C VAL A 80 3.313 1.897 -27.690 1.00 0.00 C ATOM 1310 O VAL A 80 2.344 2.595 -27.991 1.00 0.00 O ATOM 1311 CB VAL A 80 2.601 -0.385 -28.389 1.00 0.00 C ATOM 1312 CG1 VAL A 80 3.710 -0.628 -29.401 1.00 0.00 C ATOM 1313 CG2 VAL A 80 2.017 -1.702 -27.899 1.00 0.00 C ATOM 0 H VAL A 80 1.346 -0.107 -26.246 1.00 0.00 H new ATOM 0 HA VAL A 80 4.070 0.051 -26.880 1.00 0.00 H new ATOM 0 HB VAL A 80 1.804 0.171 -28.882 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.325 -1.228 -30.226 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.069 0.327 -29.784 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.532 -1.158 -28.920 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.659 -2.281 -28.751 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.786 -2.268 -27.373 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.187 -1.502 -27.222 1.00 0.00 H new ATOM 1323 N PRO A 81 4.573 2.366 -27.764 1.00 0.00 N ATOM 1324 CA PRO A 81 4.881 3.732 -28.204 1.00 0.00 C ATOM 1325 C PRO A 81 4.547 3.965 -29.675 1.00 0.00 C ATOM 1326 O PRO A 81 4.525 5.104 -30.142 1.00 0.00 O ATOM 1327 CB PRO A 81 6.387 3.855 -27.973 1.00 0.00 C ATOM 1328 CG PRO A 81 6.887 2.456 -28.010 1.00 0.00 C ATOM 1329 CD PRO A 81 5.792 1.611 -27.426 1.00 0.00 C ATOM 0 HA PRO A 81 4.292 4.471 -27.661 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.858 4.465 -28.744 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.604 4.328 -27.015 1.00 0.00 H new ATOM 0 HG2 PRO A 81 7.114 2.150 -29.031 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.807 2.355 -27.435 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.780 0.611 -27.859 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.906 1.491 -26.349 1.00 0.00 H new ATOM 1337 N ARG A 82 4.286 2.882 -30.401 1.00 0.00 N ATOM 1338 CA ARG A 82 3.954 2.975 -31.818 1.00 0.00 C ATOM 1339 C ARG A 82 5.099 3.604 -32.605 1.00 0.00 C ATOM 1340 O ARG A 82 6.171 3.834 -32.006 1.00 0.00 O ATOM 1341 CB ARG A 82 2.676 3.793 -32.012 1.00 0.00 C ATOM 1342 CG ARG A 82 1.412 2.949 -32.034 1.00 0.00 C ATOM 1343 CD ARG A 82 0.682 3.000 -30.701 1.00 0.00 C ATOM 1344 NE ARG A 82 0.448 4.372 -30.257 1.00 0.00 N ATOM 1345 CZ ARG A 82 -0.071 4.689 -29.073 1.00 0.00 C ATOM 1346 NH1 ARG A 82 -0.413 3.737 -28.214 1.00 0.00 N ATOM 1347 NH2 ARG A 82 -0.251 5.962 -28.748 1.00 0.00 N ATOM 1348 OXT ARG A 82 4.915 3.861 -33.813 1.00 0.00 O ATOM 0 H ARG A 82 4.298 1.931 -30.032 1.00 0.00 H new ATOM 0 HA ARG A 82 3.791 1.965 -32.194 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.599 4.527 -31.210 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.748 4.349 -32.947 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.751 3.303 -32.825 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.667 1.916 -32.270 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.272 2.480 -30.790 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.265 2.470 -29.948 1.00 0.00 H new ATOM 0 HE ARG A 82 0.697 5.131 -30.891 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.279 2.756 -28.460 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.810 3.986 -27.308 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.008 6.698 -29.405 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.649 6.205 -27.841 1.00 0.00 H new TER 1362 ARG A 82