USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 617 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 THR OG1 : rot 120:sc= 0.863 USER MOD Set 1.2: A 57 THR OG1 : rot -164:sc= 1 USER MOD Set 1.3: A 73 TYR OH : rot 180:sc= 0.227 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= -0.0925 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.418 K(o=-0.49,f=-1.8) USER MOD Set 2.3: A 54 TYR OH : rot 180:sc= 0.0214 USER MOD Set 3.1: A 28 CYS SG : rot 80:sc= 0.466 USER MOD Set 3.2: A 47 CYS SG : rot -163:sc= -0.122 USER MOD Set 4.1: A 40 LYS NZ :NH3+ 166:sc= 0.0948 (180deg=0) USER MOD Set 4.2: A 45 TYR OH : rot 180:sc= 0.0927 USER MOD Set 5.1: A 1 SER N :NH3+ 149:sc= 0.283 (180deg=0.0131) USER MOD Set 5.2: A 2 HIS : no HD1:sc= -0.959 X(o=-0.68,f=-0.36) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00468 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.316 F(o=-2.7!,f=-0.32) USER MOD Single : A 16 ASN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 27 THR OG1 : rot 23:sc= 0.0524 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.216 (180deg=-0.679) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.537) USER MOD Single : A 37 THR OG1 : rot 67:sc= 0.615 USER MOD Single : A 39 CYS SG : rot 178:sc= -2.02 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.289 F(o=-2.4!,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.592 (180deg=0.396) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 26:sc= 0.714 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.302 -8.154 16.797 1.00 0.00 N ATOM 2 CA SER A 1 3.618 -8.330 15.497 1.00 0.00 C ATOM 3 C SER A 1 3.436 -6.987 14.796 1.00 0.00 C ATOM 4 O SER A 1 2.698 -6.163 15.335 1.00 0.00 O ATOM 5 CB SER A 1 2.247 -9.010 15.694 1.00 0.00 C ATOM 6 OG SER A 1 2.277 -9.865 16.823 1.00 0.00 O ATOM 0 H1 SER A 1 3.975 -8.883 17.463 1.00 0.00 H new ATOM 0 H2 SER A 1 5.330 -8.242 16.663 1.00 0.00 H new ATOM 0 H3 SER A 1 4.082 -7.212 17.180 1.00 0.00 H new ATOM 0 HA SER A 1 4.242 -8.969 14.872 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.474 -8.253 15.824 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.986 -9.582 14.804 1.00 0.00 H new ATOM 0 HG SER A 1 1.400 -10.288 16.936 1.00 0.00 H new ATOM 13 N HIS A 2 4.095 -6.745 13.646 1.00 0.00 N ATOM 14 CA HIS A 2 4.138 -5.429 12.974 1.00 0.00 C ATOM 15 C HIS A 2 4.917 -5.549 11.629 1.00 0.00 C ATOM 16 O HIS A 2 4.346 -5.974 10.619 1.00 0.00 O ATOM 17 CB HIS A 2 4.700 -4.348 13.956 1.00 0.00 C ATOM 18 CG HIS A 2 5.606 -4.847 15.064 1.00 0.00 C ATOM 19 ND1 HIS A 2 5.342 -4.774 16.417 1.00 0.00 N ATOM 20 CD2 HIS A 2 6.693 -5.676 14.913 1.00 0.00 C ATOM 21 CE1 HIS A 2 6.259 -5.515 17.050 1.00 0.00 C ATOM 22 NE2 HIS A 2 7.070 -6.112 16.179 1.00 0.00 N ATOM 0 H HIS A 2 4.619 -7.466 13.151 1.00 0.00 H new ATOM 0 HA HIS A 2 3.135 -5.095 12.709 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.250 -3.610 13.372 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.856 -3.830 14.412 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.168 -5.941 13.980 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.331 -5.615 18.123 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.823 -6.764 16.398 1.00 0.00 H new ATOM 30 N MET A 3 6.237 -5.296 11.655 1.00 0.00 N ATOM 31 CA MET A 3 7.260 -5.540 10.606 1.00 0.00 C ATOM 32 C MET A 3 7.458 -7.017 10.206 1.00 0.00 C ATOM 33 O MET A 3 8.560 -7.424 9.830 1.00 0.00 O ATOM 34 CB MET A 3 8.591 -4.914 11.055 1.00 0.00 C ATOM 35 CG MET A 3 8.428 -3.410 11.292 1.00 0.00 C ATOM 36 SD MET A 3 8.132 -2.900 13.000 1.00 0.00 S ATOM 37 CE MET A 3 8.055 -1.112 12.677 1.00 0.00 C ATOM 0 H MET A 3 6.660 -4.877 12.483 1.00 0.00 H new ATOM 0 HA MET A 3 6.885 -5.066 9.699 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.935 -5.396 11.970 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.354 -5.087 10.297 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.327 -2.907 10.935 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.599 -3.054 10.680 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.875 -0.581 13.612 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.999 -0.779 12.246 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.244 -0.903 11.979 1.00 0.00 H new ATOM 47 N THR A 4 6.381 -7.807 10.294 1.00 0.00 N ATOM 48 CA THR A 4 6.371 -9.230 9.997 1.00 0.00 C ATOM 49 C THR A 4 5.532 -9.492 8.755 1.00 0.00 C ATOM 50 O THR A 4 6.078 -9.676 7.675 1.00 0.00 O ATOM 51 CB THR A 4 5.874 -9.992 11.232 1.00 0.00 C ATOM 52 OG1 THR A 4 6.412 -9.450 12.426 1.00 0.00 O ATOM 53 CG2 THR A 4 6.177 -11.477 11.128 1.00 0.00 C ATOM 0 H THR A 4 5.468 -7.455 10.583 1.00 0.00 H new ATOM 0 HA THR A 4 7.376 -9.589 9.774 1.00 0.00 H new ATOM 0 HB THR A 4 4.791 -9.874 11.269 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.076 -9.955 13.195 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.811 -11.986 12.020 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.684 -11.888 10.247 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.254 -11.624 11.042 1.00 0.00 H new ATOM 61 N ALA A 5 4.212 -9.322 8.849 1.00 0.00 N ATOM 62 CA ALA A 5 3.322 -9.502 7.705 1.00 0.00 C ATOM 63 C ALA A 5 3.358 -8.282 6.770 1.00 0.00 C ATOM 64 O ALA A 5 3.351 -8.421 5.557 1.00 0.00 O ATOM 65 CB ALA A 5 1.913 -9.814 8.225 1.00 0.00 C ATOM 0 H ALA A 5 3.735 -9.058 9.711 1.00 0.00 H new ATOM 0 HA ALA A 5 3.659 -10.343 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.236 -9.951 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.939 -10.726 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.561 -8.987 8.842 1.00 0.00 H new ATOM 71 N VAL A 6 3.442 -7.082 7.342 1.00 0.00 N ATOM 72 CA VAL A 6 3.500 -5.809 6.606 1.00 0.00 C ATOM 73 C VAL A 6 4.762 -5.766 5.744 1.00 0.00 C ATOM 74 O VAL A 6 4.748 -5.249 4.636 1.00 0.00 O ATOM 75 CB VAL A 6 3.382 -4.587 7.552 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.723 -4.035 8.049 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.555 -3.471 6.914 1.00 0.00 C ATOM 0 H VAL A 6 3.473 -6.959 8.354 1.00 0.00 H new ATOM 0 HA VAL A 6 2.638 -5.750 5.942 1.00 0.00 H new ATOM 0 HB VAL A 6 2.868 -4.966 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.545 -3.182 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.254 -4.811 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.324 -3.718 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.490 -2.628 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.032 -3.149 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.553 -3.840 6.697 1.00 0.00 H new ATOM 87 N GLN A 7 5.840 -6.379 6.243 1.00 0.00 N ATOM 88 CA GLN A 7 7.140 -6.432 5.615 1.00 0.00 C ATOM 89 C GLN A 7 7.098 -7.321 4.375 1.00 0.00 C ATOM 90 O GLN A 7 7.318 -6.882 3.252 1.00 0.00 O ATOM 91 CB GLN A 7 8.127 -6.976 6.685 1.00 0.00 C ATOM 92 CG GLN A 7 9.555 -7.306 6.222 1.00 0.00 C ATOM 93 CD GLN A 7 10.340 -6.039 6.033 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.832 -5.124 5.225 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.373 -5.777 6.644 1.00 0.00 N flip ATOM 0 H GLN A 7 5.816 -6.870 7.137 1.00 0.00 H new ATOM 0 HA GLN A 7 7.461 -5.448 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.194 -6.241 7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.694 -7.879 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.047 -7.942 6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.523 -7.866 5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.783 -6.468 7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.821 -4.869 6.523 1.00 0.00 H new ATOM 104 N ASP A 8 6.812 -8.577 4.655 1.00 0.00 N ATOM 105 CA ASP A 8 6.605 -9.740 3.767 1.00 0.00 C ATOM 106 C ASP A 8 5.591 -9.492 2.638 1.00 0.00 C ATOM 107 O ASP A 8 5.845 -9.845 1.484 1.00 0.00 O ATOM 108 CB ASP A 8 6.162 -10.927 4.657 1.00 0.00 C ATOM 109 CG ASP A 8 5.926 -12.268 3.934 1.00 0.00 C ATOM 110 OD1 ASP A 8 4.825 -12.873 4.241 1.00 0.00 O ATOM 111 OD2 ASP A 8 6.794 -12.732 3.208 1.00 0.00 O1- ATOM 0 H ASP A 8 6.702 -8.857 5.630 1.00 0.00 H new ATOM 0 HA ASP A 8 7.543 -9.951 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.920 -11.081 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.241 -10.647 5.169 1.00 0.00 H new ATOM 116 N PHE A 9 4.472 -8.818 2.938 1.00 0.00 N ATOM 117 CA PHE A 9 3.577 -8.321 1.905 1.00 0.00 C ATOM 118 C PHE A 9 4.268 -7.255 1.045 1.00 0.00 C ATOM 119 O PHE A 9 4.197 -7.321 -0.180 1.00 0.00 O ATOM 120 CB PHE A 9 2.334 -7.696 2.542 1.00 0.00 C ATOM 121 CG PHE A 9 1.463 -7.054 1.477 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.685 -7.826 0.597 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.649 -5.690 1.210 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.105 -7.216 -0.539 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.082 -5.105 0.073 1.00 0.00 C ATOM 126 CZ PHE A 9 0.291 -5.857 -0.798 1.00 0.00 C ATOM 0 H PHE A 9 4.172 -8.609 3.890 1.00 0.00 H new ATOM 0 HA PHE A 9 3.296 -9.166 1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.767 -8.460 3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.631 -6.949 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.531 -8.878 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.235 -5.086 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.491 -7.810 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.258 -4.060 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.170 -5.395 -1.658 1.00 0.00 H new ATOM 136 N VAL A 10 4.874 -6.243 1.683 1.00 0.00 N ATOM 137 CA VAL A 10 5.443 -5.085 0.957 1.00 0.00 C ATOM 138 C VAL A 10 6.498 -5.512 -0.063 1.00 0.00 C ATOM 139 O VAL A 10 6.423 -5.057 -1.205 1.00 0.00 O ATOM 140 CB VAL A 10 5.996 -4.007 1.924 1.00 0.00 C ATOM 141 CG1 VAL A 10 6.969 -2.994 1.298 1.00 0.00 C ATOM 142 CG2 VAL A 10 4.821 -3.202 2.490 1.00 0.00 C ATOM 0 H VAL A 10 4.985 -6.198 2.696 1.00 0.00 H new ATOM 0 HA VAL A 10 4.621 -4.631 0.403 1.00 0.00 H new ATOM 0 HB VAL A 10 6.554 -4.563 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.296 -2.285 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.835 -3.521 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.467 -2.457 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.197 -2.440 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.281 -2.723 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.148 -3.870 3.028 1.00 0.00 H new ATOM 152 N VAL A 11 7.423 -6.393 0.335 1.00 0.00 N ATOM 153 CA VAL A 11 8.543 -6.917 -0.487 1.00 0.00 C ATOM 154 C VAL A 11 8.105 -7.598 -1.806 1.00 0.00 C ATOM 155 O VAL A 11 8.918 -7.756 -2.716 1.00 0.00 O ATOM 156 CB VAL A 11 9.489 -7.864 0.236 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.364 -7.159 1.284 1.00 0.00 C ATOM 158 CG2 VAL A 11 8.663 -8.954 0.837 1.00 0.00 C ATOM 0 H VAL A 11 7.420 -6.783 1.278 1.00 0.00 H new ATOM 0 HA VAL A 11 9.081 -5.997 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 11 10.200 -8.277 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.016 -7.889 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.970 -6.395 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.727 -6.692 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.312 -9.653 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.947 -8.524 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.127 -9.481 0.048 1.00 0.00 H new ATOM 168 N ASP A 12 6.837 -8.005 -1.895 1.00 0.00 N ATOM 169 CA ASP A 12 6.218 -8.608 -3.080 1.00 0.00 C ATOM 170 C ASP A 12 6.215 -7.615 -4.248 1.00 0.00 C ATOM 171 O ASP A 12 6.916 -7.829 -5.219 1.00 0.00 O ATOM 172 CB ASP A 12 4.830 -9.157 -2.733 1.00 0.00 C ATOM 173 CG ASP A 12 4.284 -10.186 -3.723 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.150 -10.059 -4.161 1.00 0.00 O ATOM 175 OD2 ASP A 12 5.053 -11.158 -4.067 1.00 0.00 O1- ATOM 0 H ASP A 12 6.187 -7.921 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 12 6.809 -9.461 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.871 -9.612 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.130 -8.324 -2.672 1.00 0.00 H new ATOM 180 N ILE A 13 5.527 -6.482 -4.123 1.00 0.00 N ATOM 181 CA ILE A 13 5.604 -5.322 -5.050 1.00 0.00 C ATOM 182 C ILE A 13 7.072 -4.911 -5.181 1.00 0.00 C ATOM 183 O ILE A 13 7.558 -4.613 -6.269 1.00 0.00 O ATOM 184 CB ILE A 13 4.774 -4.169 -4.478 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.260 -4.456 -4.364 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.959 -2.954 -5.407 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.844 -5.546 -3.368 1.00 0.00 C ATOM 0 H ILE A 13 4.876 -6.327 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 13 5.210 -5.582 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 13 5.132 -4.000 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.757 -3.530 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.890 -4.736 -5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.379 -2.113 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.014 -2.681 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.616 -3.207 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.759 -5.654 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.306 -6.492 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.171 -5.267 -2.366 1.00 0.00 H new ATOM 199 N LEU A 14 7.754 -4.857 -4.034 1.00 0.00 N ATOM 200 CA LEU A 14 9.090 -4.300 -3.919 1.00 0.00 C ATOM 201 C LEU A 14 10.189 -4.998 -4.758 1.00 0.00 C ATOM 202 O LEU A 14 10.874 -4.339 -5.542 1.00 0.00 O ATOM 203 CB LEU A 14 9.443 -4.347 -2.424 1.00 0.00 C ATOM 204 CG LEU A 14 9.927 -3.043 -1.794 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.527 -3.383 -0.419 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.980 -2.384 -2.694 1.00 0.00 C ATOM 0 H LEU A 14 7.382 -5.206 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 14 9.068 -3.291 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.563 -4.683 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.216 -5.102 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 14 9.101 -2.341 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.883 -2.470 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.764 -3.846 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.360 -4.074 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.319 -1.455 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.827 -3.059 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.543 -2.170 -3.669 1.00 0.00 H new ATOM 218 N LEU A 15 10.393 -6.306 -4.541 1.00 0.00 N ATOM 219 CA LEU A 15 11.441 -7.110 -5.177 1.00 0.00 C ATOM 220 C LEU A 15 10.841 -7.989 -6.263 1.00 0.00 C ATOM 221 O LEU A 15 11.438 -8.135 -7.333 1.00 0.00 O ATOM 222 CB LEU A 15 12.130 -8.026 -4.144 1.00 0.00 C ATOM 223 CG LEU A 15 13.251 -7.372 -3.309 1.00 0.00 C ATOM 224 CD1 LEU A 15 12.760 -6.272 -2.362 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.978 -8.447 -2.487 1.00 0.00 C ATOM 0 H LEU A 15 9.815 -6.847 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 15 12.171 -6.423 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.371 -8.408 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.548 -8.885 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 15 13.922 -6.897 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.606 -5.862 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.285 -5.479 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.039 -6.691 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.769 -7.982 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.269 -8.936 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.413 -9.187 -3.159 1.00 0.00 H new ATOM 237 N ASN A 16 9.679 -8.579 -5.971 1.00 0.00 N ATOM 238 CA ASN A 16 9.005 -9.485 -6.904 1.00 0.00 C ATOM 239 C ASN A 16 8.119 -8.744 -7.917 1.00 0.00 C ATOM 240 O ASN A 16 7.631 -9.408 -8.846 1.00 0.00 O ATOM 241 CB ASN A 16 8.206 -10.587 -6.184 1.00 0.00 C ATOM 242 CG ASN A 16 9.019 -11.309 -5.118 1.00 0.00 C ATOM 243 OD1 ASN A 16 8.546 -11.322 -3.886 1.00 0.00 O flip ATOM 244 ND2 ASN A 16 10.078 -11.858 -5.381 1.00 0.00 N flip ATOM 0 H ASN A 16 9.183 -8.444 -5.090 1.00 0.00 H new ATOM 0 HA ASN A 16 9.805 -9.970 -7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.323 -10.146 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.854 -11.312 -6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.437 -11.843 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.604 -12.331 -4.646 1.00 0.00 H new ATOM 251 N GLY A 17 7.921 -7.416 -7.774 1.00 0.00 N ATOM 252 CA GLY A 17 7.089 -6.619 -8.665 1.00 0.00 C ATOM 253 C GLY A 17 5.614 -7.015 -8.631 1.00 0.00 C ATOM 254 O GLY A 17 5.107 -7.476 -7.615 1.00 0.00 O ATOM 0 H GLY A 17 8.345 -6.872 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.182 -5.567 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.461 -6.719 -9.685 1.00 0.00 H new ATOM 258 N ALA A 18 4.899 -6.726 -9.717 1.00 0.00 N ATOM 259 CA ALA A 18 3.462 -6.489 -9.606 1.00 0.00 C ATOM 260 C ALA A 18 2.582 -7.177 -10.663 1.00 0.00 C ATOM 261 O ALA A 18 3.011 -7.561 -11.764 1.00 0.00 O ATOM 262 CB ALA A 18 3.265 -4.966 -9.570 1.00 0.00 C ATOM 0 H ALA A 18 5.279 -6.652 -10.661 1.00 0.00 H new ATOM 0 HA ALA A 18 3.111 -6.962 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.202 -4.738 -9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.793 -4.551 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.660 -4.526 -10.486 1.00 0.00 H new ATOM 268 N ARG A 19 1.295 -7.235 -10.272 1.00 0.00 N ATOM 269 CA ARG A 19 0.103 -6.893 -11.061 1.00 0.00 C ATOM 270 C ARG A 19 0.281 -5.596 -11.843 1.00 0.00 C ATOM 271 O ARG A 19 1.366 -5.064 -12.011 1.00 0.00 O ATOM 272 CB ARG A 19 -1.082 -6.826 -10.063 1.00 0.00 C ATOM 273 CG ARG A 19 -2.240 -7.781 -10.371 1.00 0.00 C ATOM 274 CD ARG A 19 -1.973 -9.245 -9.972 1.00 0.00 C ATOM 275 NE ARG A 19 -0.974 -9.895 -10.841 1.00 0.00 N ATOM 276 CZ ARG A 19 -0.616 -11.176 -10.809 1.00 0.00 C ATOM 277 NH1 ARG A 19 -1.184 -12.046 -9.996 1.00 0.00 N ATOM 278 NH2 ARG A 19 0.316 -11.637 -11.620 1.00 0.00 N ATOM 0 H ARG A 19 1.047 -7.543 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.084 -7.649 -11.824 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.708 -7.043 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.466 -5.806 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.133 -7.432 -9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.456 -7.740 -11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.628 -9.279 -8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.907 -9.806 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.513 -9.305 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.925 -11.744 -9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.882 -13.020 -10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.772 -11.009 -12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.581 -12.621 -11.585 1.00 0.00 H new ATOM 292 N ASP A 20 -0.845 -5.080 -12.301 1.00 0.00 N ATOM 293 CA ASP A 20 -1.025 -3.928 -13.169 1.00 0.00 C ATOM 294 C ASP A 20 -0.417 -2.599 -12.669 1.00 0.00 C ATOM 295 O ASP A 20 -0.640 -1.566 -13.306 1.00 0.00 O ATOM 296 CB ASP A 20 -2.542 -3.768 -13.307 1.00 0.00 C ATOM 297 CG ASP A 20 -3.300 -4.918 -13.996 1.00 0.00 C ATOM 298 OD1 ASP A 20 -3.986 -4.624 -15.010 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.286 -6.050 -13.462 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.742 -5.496 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.494 -4.121 -14.101 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.962 -3.633 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.738 -2.851 -13.862 1.00 0.00 H new ATOM 304 N TRP A 21 0.286 -2.587 -11.525 1.00 0.00 N ATOM 305 CA TRP A 21 0.886 -1.424 -10.918 1.00 0.00 C ATOM 306 C TRP A 21 2.348 -1.205 -11.335 1.00 0.00 C ATOM 307 O TRP A 21 3.123 -2.128 -11.582 1.00 0.00 O ATOM 308 CB TRP A 21 0.717 -1.478 -9.387 1.00 0.00 C ATOM 309 CG TRP A 21 -0.708 -1.670 -8.928 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.608 -2.605 -9.329 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.457 -0.800 -8.035 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.853 -2.338 -8.799 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.825 -1.194 -8.033 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.098 0.304 -7.243 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.780 -0.525 -7.259 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -2.051 0.995 -6.472 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.376 0.545 -6.444 1.00 0.00 C ATOM 0 H TRP A 21 0.450 -3.437 -10.985 1.00 0.00 H new ATOM 0 HA TRP A 21 0.353 -0.551 -11.294 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.326 -2.292 -8.994 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.104 -0.554 -8.957 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.380 -3.441 -9.973 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.683 -2.911 -8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.068 0.629 -7.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.816 -0.828 -7.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.762 1.868 -5.905 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.092 1.023 -5.792 1.00 0.00 H new ATOM 328 N ASP A 22 2.713 0.072 -11.332 1.00 0.00 N ATOM 329 CA ASP A 22 4.085 0.572 -11.454 1.00 0.00 C ATOM 330 C ASP A 22 4.675 0.659 -10.046 1.00 0.00 C ATOM 331 O ASP A 22 3.935 0.782 -9.077 1.00 0.00 O ATOM 332 CB ASP A 22 4.055 1.912 -12.220 1.00 0.00 C ATOM 333 CG ASP A 22 5.432 2.440 -12.653 1.00 0.00 C ATOM 334 OD1 ASP A 22 6.457 1.772 -12.373 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.470 3.571 -13.191 1.00 0.00 O1- ATOM 0 H ASP A 22 2.031 0.825 -11.240 1.00 0.00 H new ATOM 0 HA ASP A 22 4.731 -0.090 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.432 1.793 -13.107 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.575 2.662 -11.592 1.00 0.00 H new ATOM 340 N VAL A 23 5.990 0.539 -9.909 1.00 0.00 N ATOM 341 CA VAL A 23 6.644 0.284 -8.618 1.00 0.00 C ATOM 342 C VAL A 23 7.330 1.555 -8.260 1.00 0.00 C ATOM 343 O VAL A 23 8.342 1.959 -8.832 1.00 0.00 O ATOM 344 CB VAL A 23 7.604 -0.930 -8.630 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.401 -1.056 -7.317 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.833 -2.237 -8.872 1.00 0.00 C ATOM 0 H VAL A 23 6.641 0.615 -10.690 1.00 0.00 H new ATOM 0 HA VAL A 23 5.905 0.001 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 23 8.306 -0.758 -9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.060 -1.922 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.996 -0.156 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.711 -1.179 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.530 -3.075 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.099 -2.379 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.322 -2.185 -9.833 1.00 0.00 H new ATOM 356 N LEU A 24 6.668 2.202 -7.320 1.00 0.00 N ATOM 357 CA LEU A 24 6.955 3.537 -6.898 1.00 0.00 C ATOM 358 C LEU A 24 7.151 3.586 -5.387 1.00 0.00 C ATOM 359 O LEU A 24 6.214 3.700 -4.590 1.00 0.00 O ATOM 360 CB LEU A 24 5.791 4.402 -7.317 1.00 0.00 C ATOM 361 CG LEU A 24 5.673 5.024 -8.706 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.859 5.950 -8.958 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.497 4.015 -9.830 1.00 0.00 C ATOM 0 H LEU A 24 5.886 1.784 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 24 7.877 3.897 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.892 3.803 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.746 5.226 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 24 4.750 5.604 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.771 6.392 -9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.869 6.741 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.786 5.380 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.421 4.540 -10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.355 3.343 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.588 3.437 -9.661 1.00 0.00 H new ATOM 375 N GLN A 25 8.420 3.625 -5.043 1.00 0.00 N ATOM 376 CA GLN A 25 8.829 4.125 -3.742 1.00 0.00 C ATOM 377 C GLN A 25 8.714 5.643 -3.734 1.00 0.00 C ATOM 378 O GLN A 25 9.567 6.354 -4.259 1.00 0.00 O ATOM 379 CB GLN A 25 10.230 3.644 -3.344 1.00 0.00 C ATOM 380 CG GLN A 25 10.191 2.229 -2.744 1.00 0.00 C ATOM 381 CD GLN A 25 10.944 1.197 -3.582 1.00 0.00 C ATOM 382 OE1 GLN A 25 12.110 0.925 -3.351 1.00 0.00 O ATOM 383 NE2 GLN A 25 10.284 0.572 -4.528 1.00 0.00 N ATOM 0 H GLN A 25 9.187 3.318 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 25 8.160 3.717 -2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.880 3.652 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.661 4.335 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.619 2.255 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.153 1.914 -2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.309 0.809 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.746 -0.151 -5.080 1.00 0.00 H new ATOM 392 N THR A 26 7.628 6.123 -3.133 1.00 0.00 N ATOM 393 CA THR A 26 7.421 7.524 -2.730 1.00 0.00 C ATOM 394 C THR A 26 6.667 7.557 -1.392 1.00 0.00 C ATOM 395 O THR A 26 6.466 6.517 -0.764 1.00 0.00 O ATOM 396 CB THR A 26 6.859 8.354 -3.901 1.00 0.00 C ATOM 397 OG1 THR A 26 6.887 9.725 -3.554 1.00 0.00 O ATOM 398 CG2 THR A 26 5.444 7.964 -4.343 1.00 0.00 C ATOM 0 H THR A 26 6.833 5.528 -2.901 1.00 0.00 H new ATOM 0 HA THR A 26 8.359 8.038 -2.517 1.00 0.00 H new ATOM 0 HB THR A 26 7.502 8.144 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.532 10.258 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.133 8.601 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.437 6.922 -4.664 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.754 8.091 -3.509 1.00 0.00 H new ATOM 406 N THR A 27 6.351 8.726 -0.838 1.00 0.00 N ATOM 407 CA THR A 27 5.537 8.858 0.377 1.00 0.00 C ATOM 408 C THR A 27 4.362 9.805 0.114 1.00 0.00 C ATOM 409 O THR A 27 4.581 10.848 -0.499 1.00 0.00 O ATOM 410 CB THR A 27 6.368 9.396 1.534 1.00 0.00 C ATOM 411 OG1 THR A 27 7.052 10.573 1.150 1.00 0.00 O ATOM 412 CG2 THR A 27 7.391 8.384 2.051 1.00 0.00 C ATOM 0 H THR A 27 6.655 9.621 -1.222 1.00 0.00 H new ATOM 0 HA THR A 27 5.164 7.870 0.645 1.00 0.00 H new ATOM 0 HB THR A 27 5.664 9.608 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.585 10.991 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.953 8.824 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.874 7.490 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.076 8.116 1.247 1.00 0.00 H new ATOM 420 N CYS A 28 3.167 9.486 0.611 1.00 0.00 N ATOM 421 CA CYS A 28 1.948 10.258 0.350 1.00 0.00 C ATOM 422 C CYS A 28 1.258 10.736 1.628 1.00 0.00 C ATOM 423 O CYS A 28 1.441 10.161 2.690 1.00 0.00 O ATOM 424 CB CYS A 28 1.027 9.388 -0.495 1.00 0.00 C ATOM 425 SG CYS A 28 0.427 7.943 0.420 1.00 0.00 S ATOM 0 H CYS A 28 3.014 8.676 1.212 1.00 0.00 H new ATOM 0 HA CYS A 28 2.209 11.172 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.177 9.981 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.559 9.057 -1.387 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.557 8.297 1.193 1.00 0.00 H new ATOM 431 N THR A 29 0.484 11.816 1.537 1.00 0.00 N ATOM 432 CA THR A 29 0.041 12.656 2.666 1.00 0.00 C ATOM 433 C THR A 29 -1.459 12.573 2.791 1.00 0.00 C ATOM 434 O THR A 29 -2.145 13.085 1.910 1.00 0.00 O ATOM 435 CB THR A 29 0.385 14.140 2.468 1.00 0.00 C ATOM 436 OG1 THR A 29 1.669 14.269 1.919 1.00 0.00 O ATOM 437 CG2 THR A 29 0.290 14.954 3.758 1.00 0.00 C ATOM 0 H THR A 29 0.130 12.150 0.641 1.00 0.00 H new ATOM 0 HA THR A 29 0.555 12.283 3.552 1.00 0.00 H new ATOM 0 HB THR A 29 -0.359 14.543 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.878 15.218 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.545 15.994 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.726 14.900 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.984 14.550 4.495 1.00 0.00 H new ATOM 445 N VAL A 30 -1.965 12.023 3.907 1.00 0.00 N ATOM 446 CA VAL A 30 -3.423 11.930 4.201 1.00 0.00 C ATOM 447 C VAL A 30 -3.677 11.800 5.717 1.00 0.00 C ATOM 448 O VAL A 30 -2.791 11.310 6.405 1.00 0.00 O ATOM 449 CB VAL A 30 -4.157 10.816 3.378 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.661 10.839 3.656 1.00 0.00 C ATOM 451 CG2 VAL A 30 -4.066 10.943 1.836 1.00 0.00 C ATOM 0 H VAL A 30 -1.379 11.625 4.641 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.866 12.869 3.867 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.645 9.910 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.150 10.058 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.837 10.666 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.068 11.810 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.609 10.120 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.504 11.890 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.021 10.908 1.529 1.00 0.00 H new ATOM 461 N ASP A 31 -4.777 12.366 6.256 1.00 0.00 N ATOM 462 CA ASP A 31 -5.156 12.238 7.692 1.00 0.00 C ATOM 463 C ASP A 31 -4.145 12.889 8.654 1.00 0.00 C ATOM 464 O ASP A 31 -4.071 12.595 9.850 1.00 0.00 O ATOM 465 CB ASP A 31 -5.350 10.763 8.043 1.00 0.00 C ATOM 466 CG ASP A 31 -6.559 10.510 8.943 1.00 0.00 C ATOM 467 OD1 ASP A 31 -6.361 10.059 10.061 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.735 10.751 8.498 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.433 12.927 5.713 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.091 12.782 7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.464 10.190 7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.453 10.394 8.539 1.00 0.00 H new ATOM 473 N ARG A 32 -3.389 13.837 8.083 1.00 0.00 N ATOM 474 CA ARG A 32 -2.311 14.630 8.714 1.00 0.00 C ATOM 475 C ARG A 32 -1.062 13.753 9.003 1.00 0.00 C ATOM 476 O ARG A 32 -0.169 14.161 9.747 1.00 0.00 O ATOM 477 CB ARG A 32 -2.838 15.388 9.967 1.00 0.00 C ATOM 478 CG ARG A 32 -4.110 16.231 9.691 1.00 0.00 C ATOM 479 CD ARG A 32 -4.869 16.627 10.968 1.00 0.00 C ATOM 480 NE ARG A 32 -4.403 17.902 11.549 1.00 0.00 N ATOM 481 CZ ARG A 32 -4.795 18.424 12.702 1.00 0.00 C ATOM 482 NH1 ARG A 32 -5.710 17.830 13.435 1.00 0.00 N ATOM 483 NH2 ARG A 32 -4.256 19.545 13.143 1.00 0.00 N ATOM 0 H ARG A 32 -3.518 14.091 7.104 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.983 15.395 8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.054 14.666 10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.052 16.043 10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.828 17.134 9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.778 15.666 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.932 16.705 10.742 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.758 15.835 11.709 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.715 18.430 11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.128 16.955 13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.002 18.244 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.534 20.014 12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.561 19.943 14.031 1.00 0.00 H new ATOM 497 N LYS A 33 -1.017 12.569 8.375 1.00 0.00 N ATOM 498 CA LYS A 33 0.029 11.564 8.414 1.00 0.00 C ATOM 499 C LYS A 33 0.627 11.525 7.012 1.00 0.00 C ATOM 500 O LYS A 33 -0.012 11.894 6.026 1.00 0.00 O ATOM 501 CB LYS A 33 -0.656 10.244 8.816 1.00 0.00 C ATOM 502 CG LYS A 33 -0.015 8.892 8.507 1.00 0.00 C ATOM 503 CD LYS A 33 1.043 8.374 9.489 1.00 0.00 C ATOM 504 CE LYS A 33 0.670 6.916 9.822 1.00 0.00 C ATOM 505 NZ LYS A 33 1.765 6.129 10.422 1.00 0.00 N ATOM 0 H LYS A 33 -1.787 12.274 7.775 1.00 0.00 H new ATOM 0 HA LYS A 33 0.831 11.761 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.813 10.283 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.642 10.243 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.810 8.149 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.443 8.954 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.038 8.427 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.062 8.983 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.178 6.918 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.341 6.420 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.370 5.296 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.420 5.820 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.278 6.716 11.111 1.00 0.00 H new ATOM 519 N VAL A 34 1.860 11.065 6.926 1.00 0.00 N ATOM 520 CA VAL A 34 2.472 10.674 5.654 1.00 0.00 C ATOM 521 C VAL A 34 2.835 9.190 5.691 1.00 0.00 C ATOM 522 O VAL A 34 3.568 8.739 6.571 1.00 0.00 O ATOM 523 CB VAL A 34 3.659 11.583 5.308 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.610 11.045 4.228 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.218 13.000 4.930 1.00 0.00 C ATOM 0 H VAL A 34 2.473 10.949 7.733 1.00 0.00 H new ATOM 0 HA VAL A 34 1.753 10.809 4.846 1.00 0.00 H new ATOM 0 HB VAL A 34 4.227 11.605 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.413 11.763 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.035 10.097 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.058 10.893 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.095 13.603 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.562 12.957 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.683 13.450 5.766 1.00 0.00 H new ATOM 535 N TYR A 35 2.246 8.452 4.754 1.00 0.00 N ATOM 536 CA TYR A 35 2.378 7.022 4.509 1.00 0.00 C ATOM 537 C TYR A 35 3.419 6.746 3.451 1.00 0.00 C ATOM 538 O TYR A 35 3.747 7.606 2.632 1.00 0.00 O ATOM 539 CB TYR A 35 1.066 6.500 3.938 1.00 0.00 C ATOM 540 CG TYR A 35 -0.116 6.831 4.780 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.833 8.023 4.566 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.436 5.968 5.837 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.946 8.294 5.378 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.553 6.246 6.647 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.331 7.400 6.399 1.00 0.00 C ATOM 546 OH TYR A 35 -3.437 7.672 7.149 1.00 0.00 O ATOM 0 H TYR A 35 1.605 8.881 4.086 1.00 0.00 H new ATOM 0 HA TYR A 35 2.651 6.548 5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.921 6.916 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.132 5.418 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.533 8.715 3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.171 5.095 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.515 9.198 5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.815 5.580 7.456 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.568 6.959 7.809 1.00 0.00 H new ATOM 556 N LYS A 36 3.904 5.509 3.365 1.00 0.00 N ATOM 557 CA LYS A 36 4.965 5.194 2.442 1.00 0.00 C ATOM 558 C LYS A 36 4.515 4.175 1.402 1.00 0.00 C ATOM 559 O LYS A 36 3.962 3.134 1.759 1.00 0.00 O ATOM 560 CB LYS A 36 6.193 4.797 3.221 1.00 0.00 C ATOM 561 CG LYS A 36 6.391 5.538 4.562 1.00 0.00 C ATOM 562 CD LYS A 36 5.982 4.779 5.844 1.00 0.00 C ATOM 563 CE LYS A 36 6.539 3.350 5.938 1.00 0.00 C ATOM 564 NZ LYS A 36 6.425 2.807 7.319 1.00 0.00 N ATOM 0 H LYS A 36 3.575 4.721 3.923 1.00 0.00 H new ATOM 0 HA LYS A 36 5.232 6.074 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.147 3.726 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.070 4.968 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.443 5.809 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.825 6.469 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.320 5.346 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.894 4.736 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.000 2.703 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.585 3.345 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.312 1.774 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.285 3.040 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.598 3.227 7.790 1.00 0.00 H new ATOM 578 N THR A 37 4.713 4.532 0.137 1.00 0.00 N ATOM 579 CA THR A 37 4.068 3.901 -1.014 1.00 0.00 C ATOM 580 C THR A 37 5.005 2.864 -1.585 1.00 0.00 C ATOM 581 O THR A 37 6.228 2.993 -1.516 1.00 0.00 O ATOM 582 CB THR A 37 3.566 4.888 -2.077 1.00 0.00 C ATOM 583 OG1 THR A 37 4.593 5.237 -2.961 1.00 0.00 O ATOM 584 CG2 THR A 37 3.028 6.187 -1.473 1.00 0.00 C ATOM 0 H THR A 37 5.344 5.289 -0.125 1.00 0.00 H new ATOM 0 HA THR A 37 3.156 3.420 -0.662 1.00 0.00 H new ATOM 0 HB THR A 37 2.759 4.370 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.848 4.454 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.687 6.846 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.194 5.961 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.819 6.680 -0.908 1.00 0.00 H new ATOM 592 N ILE A 38 4.424 1.836 -2.180 1.00 0.00 N ATOM 593 CA ILE A 38 5.179 0.773 -2.850 1.00 0.00 C ATOM 594 C ILE A 38 5.033 0.852 -4.349 1.00 0.00 C ATOM 595 O ILE A 38 5.974 0.587 -5.090 1.00 0.00 O ATOM 596 CB ILE A 38 4.686 -0.625 -2.440 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.026 -0.661 -1.038 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.969 -1.491 -2.426 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.477 -2.048 -0.694 1.00 0.00 C ATOM 0 H ILE A 38 3.413 1.708 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 38 6.216 0.919 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 38 3.916 -0.972 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.757 -0.365 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.217 0.068 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.715 -2.512 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.419 -1.491 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.677 -1.080 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.024 -2.025 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.725 -2.335 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.290 -2.774 -0.704 1.00 0.00 H new ATOM 611 N CYS A 39 3.820 1.186 -4.760 1.00 0.00 N ATOM 612 CA CYS A 39 3.345 1.033 -6.108 1.00 0.00 C ATOM 613 C CYS A 39 2.225 1.996 -6.361 1.00 0.00 C ATOM 614 O CYS A 39 1.483 2.390 -5.460 1.00 0.00 O ATOM 615 CB CYS A 39 2.904 -0.412 -6.347 1.00 0.00 C ATOM 616 SG CYS A 39 1.894 -1.173 -5.045 1.00 0.00 S ATOM 0 H CYS A 39 3.121 1.585 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 39 4.150 1.256 -6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.342 -0.448 -7.280 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.796 -1.023 -6.488 1.00 0.00 H new ATOM 0 HG CYS A 39 1.559 -2.377 -5.404 1.00 0.00 H new ATOM 622 N LYS A 40 2.104 2.331 -7.634 1.00 0.00 N ATOM 623 CA LYS A 40 1.101 3.189 -8.157 1.00 0.00 C ATOM 624 C LYS A 40 0.358 2.559 -9.327 1.00 0.00 C ATOM 625 O LYS A 40 0.973 1.937 -10.192 1.00 0.00 O ATOM 626 CB LYS A 40 1.838 4.488 -8.526 1.00 0.00 C ATOM 627 CG LYS A 40 0.935 5.646 -8.902 1.00 0.00 C ATOM 628 CD LYS A 40 1.666 6.741 -9.708 1.00 0.00 C ATOM 629 CE LYS A 40 0.678 7.796 -10.227 1.00 0.00 C ATOM 630 NZ LYS A 40 1.337 9.010 -10.770 1.00 0.00 N ATOM 0 H LYS A 40 2.742 1.986 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 40 0.311 3.386 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.459 4.789 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.510 4.284 -9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.096 5.270 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.520 6.086 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.417 7.219 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.194 6.288 -10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.059 7.350 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.011 8.087 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.646 9.568 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.707 9.584 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.120 8.730 -11.394 1.00 0.00 H new ATOM 644 N ARG A 41 -0.957 2.771 -9.405 1.00 0.00 N ATOM 645 CA ARG A 41 -1.712 2.587 -10.628 1.00 0.00 C ATOM 646 C ARG A 41 -2.704 3.721 -10.794 1.00 0.00 C ATOM 647 O ARG A 41 -3.660 3.890 -10.049 1.00 0.00 O ATOM 648 CB ARG A 41 -2.398 1.228 -10.705 1.00 0.00 C ATOM 649 CG ARG A 41 -2.800 0.965 -12.162 1.00 0.00 C ATOM 650 CD ARG A 41 -3.893 -0.106 -12.207 1.00 0.00 C ATOM 651 NE ARG A 41 -4.115 -0.678 -13.541 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.242 -0.751 -14.240 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.382 -0.224 -13.810 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.237 -1.374 -15.405 1.00 0.00 N ATOM 0 H ARG A 41 -1.523 3.076 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.005 2.607 -11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.728 0.445 -10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.277 1.211 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.159 1.885 -12.623 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.933 0.639 -12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.629 -0.909 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.827 0.327 -11.849 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.291 -1.074 -13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.414 0.259 -12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.226 -0.302 -14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.375 -1.791 -15.757 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.095 -1.438 -15.953 1.00 0.00 H new ATOM 668 N GLY A 42 -2.465 4.507 -11.819 1.00 0.00 N ATOM 669 CA GLY A 42 -3.283 5.680 -12.094 1.00 0.00 C ATOM 670 C GLY A 42 -3.171 6.715 -11.000 1.00 0.00 C ATOM 671 O GLY A 42 -2.099 7.111 -10.565 1.00 0.00 O ATOM 0 H GLY A 42 -1.706 4.359 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.978 6.121 -13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.325 5.378 -12.203 1.00 0.00 H new ATOM 675 N ASN A 43 -4.326 7.079 -10.466 1.00 0.00 N ATOM 676 CA ASN A 43 -4.433 7.991 -9.334 1.00 0.00 C ATOM 677 C ASN A 43 -4.139 7.297 -7.994 1.00 0.00 C ATOM 678 O ASN A 43 -4.132 7.966 -6.968 1.00 0.00 O ATOM 679 CB ASN A 43 -5.828 8.628 -9.364 1.00 0.00 C ATOM 680 CG ASN A 43 -7.013 7.662 -9.476 1.00 0.00 C ATOM 681 OD1 ASN A 43 -6.959 6.498 -8.877 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -7.990 7.941 -10.148 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.227 6.747 -10.809 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.675 8.769 -9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.953 9.220 -8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.870 9.320 -10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.044 8.844 -10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.754 7.272 -10.239 1.00 0.00 H new ATOM 689 N THR A 44 -3.972 5.968 -7.985 1.00 0.00 N ATOM 690 CA THR A 44 -3.869 5.170 -6.738 1.00 0.00 C ATOM 691 C THR A 44 -2.442 4.714 -6.475 1.00 0.00 C ATOM 692 O THR A 44 -1.657 4.556 -7.405 1.00 0.00 O ATOM 693 CB THR A 44 -4.959 4.102 -6.611 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.945 3.541 -5.328 1.00 0.00 O ATOM 695 CG2 THR A 44 -4.993 2.993 -7.649 1.00 0.00 C ATOM 0 H THR A 44 -3.904 5.409 -8.835 1.00 0.00 H new ATOM 0 HA THR A 44 -4.094 5.829 -5.900 1.00 0.00 H new ATOM 0 HB THR A 44 -5.871 4.666 -6.807 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.813 3.688 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.817 2.314 -7.429 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.134 3.426 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.053 2.443 -7.624 1.00 0.00 H new ATOM 703 N TYR A 45 -2.095 4.609 -5.193 1.00 0.00 N ATOM 704 CA TYR A 45 -0.813 4.521 -4.547 1.00 0.00 C ATOM 705 C TYR A 45 -1.143 3.656 -3.353 1.00 0.00 C ATOM 706 O TYR A 45 -2.071 3.903 -2.575 1.00 0.00 O ATOM 707 CB TYR A 45 -0.311 5.856 -4.002 1.00 0.00 C ATOM 708 CG TYR A 45 0.260 6.761 -5.052 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.628 7.434 -5.898 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.652 6.903 -5.202 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.125 8.360 -6.832 1.00 0.00 C ATOM 712 CE2 TYR A 45 2.156 7.797 -6.158 1.00 0.00 C ATOM 713 CZ TYR A 45 1.269 8.594 -6.919 1.00 0.00 C ATOM 714 OH TYR A 45 1.766 9.555 -7.748 1.00 0.00 O ATOM 0 H TYR A 45 -2.832 4.581 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.045 4.164 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.135 6.367 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.451 5.666 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.689 7.245 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.327 6.328 -4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.803 8.892 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.222 7.877 -6.313 1.00 0.00 H new ATOM 0 HH TYR A 45 2.743 9.575 -7.677 1.00 0.00 H new ATOM 724 N LEU A 46 -0.432 2.566 -3.272 1.00 0.00 N ATOM 725 CA LEU A 46 -0.652 1.554 -2.283 1.00 0.00 C ATOM 726 C LEU A 46 0.479 1.732 -1.279 1.00 0.00 C ATOM 727 O LEU A 46 1.644 1.782 -1.672 1.00 0.00 O ATOM 728 CB LEU A 46 -0.592 0.263 -3.083 1.00 0.00 C ATOM 729 CG LEU A 46 -1.815 -0.660 -3.159 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.838 -1.815 -2.143 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.174 -0.014 -3.024 1.00 0.00 C ATOM 0 H LEU A 46 0.336 2.354 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.588 1.580 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.325 0.530 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.232 -0.327 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.665 -1.015 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.744 -2.405 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.965 -2.450 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.822 -1.410 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.949 -0.778 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.245 0.485 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.310 0.717 -3.821 1.00 0.00 H new ATOM 743 N CYS A 47 0.128 1.919 -0.017 1.00 0.00 N ATOM 744 CA CYS A 47 1.020 2.432 1.011 1.00 0.00 C ATOM 745 C CYS A 47 0.907 1.577 2.267 1.00 0.00 C ATOM 746 O CYS A 47 -0.080 0.867 2.456 1.00 0.00 O ATOM 747 CB CYS A 47 0.708 3.918 1.327 1.00 0.00 C ATOM 748 SG CYS A 47 -0.047 4.761 -0.095 1.00 0.00 S ATOM 0 H CYS A 47 -0.809 1.713 0.330 1.00 0.00 H new ATOM 0 HA CYS A 47 2.044 2.381 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.036 3.975 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.627 4.431 1.609 1.00 0.00 H new ATOM 0 HG CYS A 47 0.042 6.048 0.066 1.00 0.00 H new ATOM 754 N PHE A 48 1.899 1.659 3.150 1.00 0.00 N ATOM 755 CA PHE A 48 1.959 0.905 4.398 1.00 0.00 C ATOM 756 C PHE A 48 2.511 1.756 5.552 1.00 0.00 C ATOM 757 O PHE A 48 3.341 2.635 5.298 1.00 0.00 O ATOM 758 CB PHE A 48 2.774 -0.378 4.165 1.00 0.00 C ATOM 759 CG PHE A 48 4.270 -0.195 4.133 1.00 0.00 C ATOM 760 CD1 PHE A 48 5.034 -0.551 5.253 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.895 0.262 2.960 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.427 -0.446 5.206 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.291 0.368 2.908 1.00 0.00 C ATOM 764 CZ PHE A 48 7.061 0.008 4.032 1.00 0.00 C ATOM 0 H PHE A 48 2.705 2.269 3.013 1.00 0.00 H new ATOM 0 HA PHE A 48 0.951 0.624 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.529 -1.092 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.459 -0.822 3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.548 -0.905 6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.300 0.531 2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.018 -0.713 6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.775 0.724 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.138 0.080 3.994 1.00 0.00 H new ATOM 774 N ASP A 49 2.073 1.461 6.782 1.00 0.00 N ATOM 775 CA ASP A 49 2.716 1.927 8.013 1.00 0.00 C ATOM 776 C ASP A 49 3.211 0.722 8.807 1.00 0.00 C ATOM 777 O ASP A 49 3.517 -0.332 8.267 1.00 0.00 O ATOM 778 CB ASP A 49 1.804 2.741 8.912 1.00 0.00 C ATOM 779 CG ASP A 49 1.293 4.020 8.308 1.00 0.00 C ATOM 780 OD1 ASP A 49 2.149 4.840 7.906 1.00 0.00 O ATOM 781 OD2 ASP A 49 0.106 4.320 8.505 1.00 0.00 O1- ATOM 0 H ASP A 49 1.250 0.883 6.951 1.00 0.00 H new ATOM 0 HA ASP A 49 3.532 2.579 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.951 2.124 9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.342 2.980 9.830 1.00 0.00 H new ATOM 786 N ASP A 50 3.283 0.849 10.123 1.00 0.00 N ATOM 787 CA ASP A 50 3.890 -0.144 10.990 1.00 0.00 C ATOM 788 C ASP A 50 3.018 -1.382 11.305 1.00 0.00 C ATOM 789 O ASP A 50 3.502 -2.386 11.846 1.00 0.00 O ATOM 790 CB ASP A 50 4.386 0.550 12.264 1.00 0.00 C ATOM 791 CG ASP A 50 5.287 1.755 11.948 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.385 1.509 11.345 1.00 0.00 O ATOM 793 OD2 ASP A 50 4.819 2.891 12.138 1.00 0.00 O1- ATOM 0 H ASP A 50 2.915 1.658 10.624 1.00 0.00 H new ATOM 0 HA ASP A 50 4.726 -0.571 10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.531 0.881 12.853 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.937 -0.165 12.875 1.00 0.00 H new ATOM 798 N THR A 51 1.735 -1.295 10.928 1.00 0.00 N ATOM 799 CA THR A 51 0.599 -2.116 11.379 1.00 0.00 C ATOM 800 C THR A 51 -0.104 -2.888 10.269 1.00 0.00 C ATOM 801 O THR A 51 -0.724 -3.916 10.529 1.00 0.00 O ATOM 802 CB THR A 51 -0.475 -1.168 11.923 1.00 0.00 C ATOM 803 OG1 THR A 51 -0.713 -0.153 10.974 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.118 -0.447 13.201 1.00 0.00 C ATOM 0 H THR A 51 1.440 -0.595 10.247 1.00 0.00 H new ATOM 0 HA THR A 51 1.012 -2.824 12.098 1.00 0.00 H new ATOM 0 HB THR A 51 -1.331 -1.812 12.126 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.400 0.457 11.313 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.945 0.197 13.499 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.076 -1.176 13.988 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.774 0.159 13.040 1.00 0.00 H new ATOM 812 N ASN A 52 -0.090 -2.353 9.052 1.00 0.00 N ATOM 813 CA ASN A 52 -1.080 -2.525 8.007 1.00 0.00 C ATOM 814 C ASN A 52 -0.823 -1.550 6.859 1.00 0.00 C ATOM 815 O ASN A 52 0.055 -0.684 6.897 1.00 0.00 O ATOM 816 CB ASN A 52 -2.553 -2.465 8.475 1.00 0.00 C ATOM 817 CG ASN A 52 -2.987 -1.229 9.245 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.151 -1.235 10.455 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.198 -0.132 8.557 1.00 0.00 N ATOM 0 H ASN A 52 0.672 -1.744 8.754 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.950 -3.549 7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.191 -2.557 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.745 -3.337 9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.500 0.718 9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.060 -0.129 7.546 1.00 0.00 H new ATOM 826 N LEU A 53 -1.640 -1.711 5.824 1.00 0.00 N ATOM 827 CA LEU A 53 -1.640 -0.903 4.627 1.00 0.00 C ATOM 828 C LEU A 53 -2.805 0.050 4.575 1.00 0.00 C ATOM 829 O LEU A 53 -3.768 -0.055 5.339 1.00 0.00 O ATOM 830 CB LEU A 53 -1.611 -1.827 3.410 1.00 0.00 C ATOM 831 CG LEU A 53 -0.163 -2.225 3.151 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.305 -3.312 4.091 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.008 -2.829 1.794 1.00 0.00 C ATOM 0 H LEU A 53 -2.349 -2.444 5.803 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.749 -0.275 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.222 -2.711 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.028 -1.322 2.539 1.00 0.00 H new ATOM 0 HG LEU A 53 0.401 -1.301 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.342 -3.563 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.229 -2.961 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.318 -4.197 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.053 -3.100 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.613 -3.721 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.291 -2.107 1.034 1.00 0.00 H new ATOM 845 N TYR A 54 -2.694 0.947 3.606 1.00 0.00 N ATOM 846 CA TYR A 54 -3.725 1.875 3.224 1.00 0.00 C ATOM 847 C TYR A 54 -3.617 2.022 1.707 1.00 0.00 C ATOM 848 O TYR A 54 -2.510 2.198 1.181 1.00 0.00 O ATOM 849 CB TYR A 54 -3.604 3.229 3.946 1.00 0.00 C ATOM 850 CG TYR A 54 -3.266 3.203 5.432 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.208 3.712 6.337 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.070 2.636 5.930 1.00 0.00 C ATOM 853 CE1 TYR A 54 -3.978 3.647 7.723 1.00 0.00 C ATOM 854 CE2 TYR A 54 -1.909 2.414 7.310 1.00 0.00 C ATOM 855 CZ TYR A 54 -2.843 2.960 8.221 1.00 0.00 C ATOM 856 OH TYR A 54 -2.673 2.778 9.561 1.00 0.00 O ATOM 0 H TYR A 54 -1.846 1.044 3.048 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.706 1.500 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.839 3.815 3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.547 3.761 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.119 4.158 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.276 2.372 5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.666 4.121 8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.076 1.829 7.672 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.841 2.286 9.721 1.00 0.00 H new ATOM 866 N ALA A 55 -4.735 1.940 0.986 1.00 0.00 N ATOM 867 CA ALA A 55 -4.723 2.410 -0.396 1.00 0.00 C ATOM 868 C ALA A 55 -5.074 3.870 -0.290 1.00 0.00 C ATOM 869 O ALA A 55 -6.151 4.186 0.201 1.00 0.00 O ATOM 870 CB ALA A 55 -5.727 1.629 -1.258 1.00 0.00 C ATOM 0 H ALA A 55 -5.625 1.569 1.319 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.761 2.260 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.695 2.002 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.468 0.570 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.731 1.760 -0.855 1.00 0.00 H new ATOM 876 N ILE A 56 -4.179 4.748 -0.725 1.00 0.00 N ATOM 877 CA ILE A 56 -4.583 6.124 -0.970 1.00 0.00 C ATOM 878 C ILE A 56 -4.923 6.206 -2.456 1.00 0.00 C ATOM 879 O ILE A 56 -4.057 6.274 -3.329 1.00 0.00 O ATOM 880 CB ILE A 56 -3.559 7.129 -0.429 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.653 7.202 1.115 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.897 8.541 -0.945 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.725 6.266 1.881 1.00 0.00 C ATOM 0 H ILE A 56 -3.198 4.541 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.473 6.416 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.569 6.807 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.442 8.226 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.680 6.985 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.168 9.254 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.869 8.547 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.894 8.823 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.875 6.401 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.946 5.233 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.689 6.493 1.628 1.00 0.00 H new ATOM 895 N THR A 57 -6.226 6.145 -2.731 1.00 0.00 N ATOM 896 CA THR A 57 -6.769 6.263 -4.083 1.00 0.00 C ATOM 897 C THR A 57 -7.005 7.735 -4.327 1.00 0.00 C ATOM 898 O THR A 57 -8.031 8.279 -3.932 1.00 0.00 O ATOM 899 CB THR A 57 -7.987 5.356 -4.269 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.523 4.026 -4.168 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.644 5.518 -5.638 1.00 0.00 C ATOM 0 H THR A 57 -6.940 6.011 -2.015 1.00 0.00 H new ATOM 0 HA THR A 57 -6.078 5.905 -4.846 1.00 0.00 H new ATOM 0 HB THR A 57 -8.731 5.616 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.198 3.416 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.502 4.850 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.976 6.549 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.924 5.271 -6.418 1.00 0.00 H new ATOM 909 N GLY A 58 -5.983 8.395 -4.867 1.00 0.00 N ATOM 910 CA GLY A 58 -5.856 9.842 -4.947 1.00 0.00 C ATOM 911 C GLY A 58 -5.569 10.434 -3.555 1.00 0.00 C ATOM 912 O GLY A 58 -4.451 10.832 -3.247 1.00 0.00 O ATOM 0 H GLY A 58 -5.186 7.910 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.052 10.105 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.773 10.272 -5.350 1.00 0.00 H new ATOM 916 N ASP A 59 -6.621 10.433 -2.737 1.00 0.00 N ATOM 917 CA ASP A 59 -6.771 11.047 -1.395 1.00 0.00 C ATOM 918 C ASP A 59 -7.776 10.265 -0.521 1.00 0.00 C ATOM 919 O ASP A 59 -8.055 10.617 0.632 1.00 0.00 O ATOM 920 CB ASP A 59 -7.199 12.526 -1.599 1.00 0.00 C ATOM 921 CG ASP A 59 -8.309 12.723 -2.653 1.00 0.00 C ATOM 922 OD1 ASP A 59 -9.148 11.805 -2.803 1.00 0.00 O ATOM 923 OD2 ASP A 59 -8.270 13.781 -3.337 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.480 9.958 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.824 11.010 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.543 12.928 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.326 13.108 -1.894 1.00 0.00 H new ATOM 928 N VAL A 60 -8.293 9.152 -1.062 1.00 0.00 N ATOM 929 CA VAL A 60 -9.180 8.212 -0.394 1.00 0.00 C ATOM 930 C VAL A 60 -8.308 7.235 0.355 1.00 0.00 C ATOM 931 O VAL A 60 -7.813 6.291 -0.242 1.00 0.00 O ATOM 932 CB VAL A 60 -10.086 7.450 -1.396 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.889 6.311 -0.733 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.046 8.408 -2.120 1.00 0.00 C ATOM 0 H VAL A 60 -8.089 8.878 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.845 8.755 0.277 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.412 6.997 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.504 5.815 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.201 5.589 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.530 6.723 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.667 7.844 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.681 8.908 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.471 9.153 -2.670 1.00 0.00 H new ATOM 944 N VAL A 61 -8.123 7.495 1.643 1.00 0.00 N ATOM 945 CA VAL A 61 -7.409 6.581 2.552 1.00 0.00 C ATOM 946 C VAL A 61 -8.283 5.400 2.952 1.00 0.00 C ATOM 947 O VAL A 61 -9.151 5.463 3.830 1.00 0.00 O ATOM 948 CB VAL A 61 -6.789 7.336 3.741 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.799 7.999 4.702 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.845 6.437 4.563 1.00 0.00 C ATOM 0 H VAL A 61 -8.461 8.344 2.096 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.565 6.150 2.013 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.233 8.142 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.261 8.504 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.399 8.726 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.451 7.236 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.429 7.009 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.402 5.585 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.036 6.081 3.926 1.00 0.00 H new ATOM 960 N LEU A 62 -8.020 4.268 2.305 1.00 0.00 N ATOM 961 CA LEU A 62 -8.572 2.994 2.659 1.00 0.00 C ATOM 962 C LEU A 62 -7.552 2.193 3.460 1.00 0.00 C ATOM 963 O LEU A 62 -6.825 1.367 2.933 1.00 0.00 O ATOM 964 CB LEU A 62 -9.099 2.291 1.411 1.00 0.00 C ATOM 965 CG LEU A 62 -9.544 0.828 1.658 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.292 0.556 2.981 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.476 0.444 0.520 1.00 0.00 C ATOM 0 H LEU A 62 -7.397 4.227 1.498 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.435 3.112 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.944 2.856 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.323 2.301 0.645 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.626 0.244 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.552 -0.501 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.651 0.821 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.201 1.156 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.813 -0.583 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.338 1.111 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.946 0.529 -0.429 1.00 0.00 H new ATOM 979 N LYS A 63 -7.600 2.427 4.756 1.00 0.00 N ATOM 980 CA LYS A 63 -6.948 1.649 5.828 1.00 0.00 C ATOM 981 C LYS A 63 -7.400 0.178 5.827 1.00 0.00 C ATOM 982 O LYS A 63 -8.522 -0.152 6.243 1.00 0.00 O ATOM 983 CB LYS A 63 -7.235 2.294 7.203 1.00 0.00 C ATOM 984 CG LYS A 63 -8.695 2.708 7.469 1.00 0.00 C ATOM 985 CD LYS A 63 -9.081 2.672 8.959 1.00 0.00 C ATOM 986 CE LYS A 63 -9.142 1.263 9.581 1.00 0.00 C ATOM 987 NZ LYS A 63 -10.005 0.341 8.795 1.00 0.00 N ATOM 0 H LYS A 63 -8.128 3.216 5.129 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.875 1.663 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.931 1.593 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.604 3.177 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.855 3.715 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.359 2.046 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.362 3.270 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.054 3.148 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.135 0.851 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.522 1.333 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.155 -0.537 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.922 0.796 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.542 0.119 7.891 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.522 -0.742 5.414 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.795 -2.176 5.327 1.00 0.00 C ATOM 1003 C PHE A 64 -6.719 -2.818 6.724 1.00 0.00 C ATOM 1004 O PHE A 64 -5.766 -2.590 7.463 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.807 -2.827 4.365 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.008 -2.449 2.911 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.023 -1.719 2.238 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.174 -2.832 2.233 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.158 -1.433 0.876 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.323 -2.531 0.876 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.301 -1.859 0.188 1.00 0.00 C ATOM 0 H PHE A 64 -5.575 -0.500 5.123 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.803 -2.332 4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.795 -2.553 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.885 -3.910 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.152 -1.374 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.956 -3.359 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.385 -0.886 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.226 -2.816 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.396 -1.671 -0.871 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.690 -3.667 7.084 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.661 -4.462 8.327 1.00 0.00 C ATOM 1023 C ALA A 65 -6.568 -5.555 8.374 1.00 0.00 C ATOM 1024 O ALA A 65 -6.458 -6.274 9.365 1.00 0.00 O ATOM 1025 CB ALA A 65 -9.020 -5.140 8.495 1.00 0.00 C ATOM 0 H ALA A 65 -8.525 -3.825 6.520 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.430 -3.762 9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.020 -5.734 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.800 -4.381 8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.211 -5.790 7.641 1.00 0.00 H new ATOM 1031 N THR A 66 -5.829 -5.756 7.285 1.00 0.00 N ATOM 1032 CA THR A 66 -4.809 -6.767 7.142 1.00 0.00 C ATOM 1033 C THR A 66 -3.858 -6.173 6.159 1.00 0.00 C ATOM 1034 O THR A 66 -4.157 -5.258 5.396 1.00 0.00 O ATOM 1035 CB THR A 66 -5.297 -8.073 6.509 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.693 -8.206 6.585 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.784 -9.321 7.193 1.00 0.00 C ATOM 0 H THR A 66 -5.938 -5.187 6.445 1.00 0.00 H new ATOM 0 HA THR A 66 -4.416 -7.016 8.128 1.00 0.00 H new ATOM 0 HB THR A 66 -4.924 -7.999 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.964 -9.051 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.175 -10.202 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.695 -9.335 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.112 -9.327 8.233 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.773 -6.879 6.067 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.864 -6.680 5.002 1.00 0.00 C ATOM 1047 C VAL A 67 -2.352 -7.383 3.739 1.00 0.00 C ATOM 1048 O VAL A 67 -2.359 -6.800 2.650 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.537 -7.280 5.413 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.446 -6.393 4.744 1.00 0.00 C ATOM 1051 CG2 VAL A 67 -0.097 -7.224 6.859 1.00 0.00 C ATOM 0 H VAL A 67 -2.501 -7.605 6.730 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.773 -5.614 4.792 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.616 -8.340 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.456 -6.733 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.287 -6.422 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.317 -5.372 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.877 -7.703 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.025 -6.184 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.825 -7.745 7.481 1.00 0.00 H new ATOM 1061 N SER A 68 -2.828 -8.632 3.910 1.00 0.00 N ATOM 1062 CA SER A 68 -3.291 -9.480 2.796 1.00 0.00 C ATOM 1063 C SER A 68 -4.408 -8.849 1.938 1.00 0.00 C ATOM 1064 O SER A 68 -4.526 -9.173 0.754 1.00 0.00 O ATOM 1065 CB SER A 68 -3.816 -10.823 3.364 1.00 0.00 C ATOM 1066 OG SER A 68 -2.944 -11.313 4.379 1.00 0.00 O ATOM 0 H SER A 68 -2.902 -9.080 4.823 1.00 0.00 H new ATOM 0 HA SER A 68 -2.428 -9.615 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.817 -10.685 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.898 -11.556 2.562 1.00 0.00 H new ATOM 0 HG SER A 68 -3.291 -12.160 4.728 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.163 -7.910 2.521 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.207 -7.166 1.830 1.00 0.00 C ATOM 1074 C LYS A 69 -5.655 -6.427 0.639 1.00 0.00 C ATOM 1075 O LYS A 69 -6.146 -6.549 -0.477 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.775 -6.112 2.780 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.184 -6.606 4.142 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.620 -6.220 4.463 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.400 -7.408 3.880 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.859 -7.191 3.661 1.00 0.00 N ATOM 0 H LYS A 69 -5.059 -7.647 3.501 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.965 -7.879 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.030 -5.327 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.643 -5.653 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.079 -7.690 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.516 -6.191 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.784 -6.109 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.904 -5.276 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.947 -7.681 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.276 -8.261 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.283 -8.055 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.316 -6.964 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.997 -6.403 2.997 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.598 -5.654 0.877 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.918 -4.905 -0.177 1.00 0.00 C ATOM 1096 C ALA A 70 -3.507 -5.751 -1.424 1.00 0.00 C ATOM 1097 O ALA A 70 -3.363 -5.213 -2.521 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.741 -4.223 0.519 1.00 0.00 C ATOM 0 H ALA A 70 -4.190 -5.529 1.803 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.595 -4.180 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.178 -3.638 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.114 -3.565 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.091 -4.979 0.959 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.330 -7.074 -1.257 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.947 -8.043 -2.300 1.00 0.00 C ATOM 1106 C ARG A 71 -4.131 -8.359 -3.214 1.00 0.00 C ATOM 1107 O ARG A 71 -3.986 -8.440 -4.404 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.492 -9.368 -1.669 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.507 -10.139 -2.582 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.336 -10.692 -1.751 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.700 -11.803 -0.845 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.223 -12.535 -0.183 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.520 -12.441 -0.413 1.00 0.00 N ATOM 1114 NH2 ARG A 71 -0.113 -13.430 0.723 1.00 0.00 N ATOM 0 H ARG A 71 -3.456 -7.518 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.136 -7.591 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.015 -9.167 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.363 -9.991 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.027 -10.957 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.129 -9.478 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.445 -11.034 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.088 -9.881 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.687 -12.025 -0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.867 -11.792 -1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.175 -13.017 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.096 -13.588 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.610 -13.965 1.204 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.324 -8.482 -2.684 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.562 -8.602 -3.464 1.00 0.00 C ATOM 1130 C ALA A 72 -6.941 -7.234 -4.105 1.00 0.00 C ATOM 1131 O ALA A 72 -7.466 -7.152 -5.222 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.567 -9.204 -2.479 1.00 0.00 C ATOM 0 H ALA A 72 -5.479 -8.503 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.497 -9.251 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.530 -9.332 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.204 -10.173 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.684 -8.537 -1.625 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.609 -6.109 -3.444 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.907 -4.779 -3.897 1.00 0.00 C ATOM 1140 C TYR A 73 -6.180 -4.501 -5.189 1.00 0.00 C ATOM 1141 O TYR A 73 -6.718 -3.864 -6.094 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.577 -3.737 -2.831 1.00 0.00 C ATOM 1143 CG TYR A 73 -7.025 -2.361 -3.262 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -6.200 -1.628 -4.151 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.305 -1.877 -2.879 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -6.674 -0.397 -4.658 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.751 -0.641 -3.392 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.940 0.090 -4.281 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.349 1.302 -4.749 1.00 0.00 O ATOM 0 H TYR A 73 -6.111 -6.125 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.979 -4.709 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.064 -4.005 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.503 -3.731 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.228 -2.003 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.927 -2.447 -2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.061 0.174 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.717 -0.254 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.244 1.501 -4.403 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.947 -5.022 -5.254 1.00 0.00 N ATOM 1160 CA LEU A 74 -4.077 -4.867 -6.432 1.00 0.00 C ATOM 1161 C LEU A 74 -4.685 -5.459 -7.710 1.00 0.00 C ATOM 1162 O LEU A 74 -4.554 -4.870 -8.757 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.732 -5.479 -6.156 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.528 -4.559 -5.943 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.882 -3.210 -5.341 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.614 -5.109 -4.856 1.00 0.00 C ATOM 0 H LEU A 74 -4.525 -5.560 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.967 -3.797 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.830 -6.103 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.496 -6.143 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.096 -4.483 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.976 -2.616 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.574 -2.687 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.351 -3.357 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.235 -4.439 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.167 -5.186 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.255 -6.096 -5.148 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.496 -6.490 -7.604 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.192 -7.051 -8.777 1.00 0.00 C ATOM 1180 C GLU A 75 -7.701 -6.759 -8.832 1.00 0.00 C ATOM 1181 O GLU A 75 -8.264 -7.241 -9.813 1.00 0.00 O ATOM 1182 CB GLU A 75 -6.065 -8.606 -8.711 1.00 0.00 C ATOM 1183 CG GLU A 75 -6.170 -9.395 -7.361 1.00 0.00 C ATOM 1184 CD GLU A 75 -6.269 -10.905 -7.630 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -5.981 -11.248 -8.774 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.751 -11.746 -6.809 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.699 -6.967 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.727 -6.589 -9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.831 -9.011 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.100 -8.861 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.298 -9.186 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.045 -9.060 -6.804 1.00 0.00 H new ATOM 1193 N THR A 76 -8.338 -6.051 -7.824 1.00 0.00 N ATOM 1194 CA THR A 76 -9.758 -5.701 -7.802 1.00 0.00 C ATOM 1195 C THR A 76 -10.029 -4.571 -6.737 1.00 0.00 C ATOM 1196 O THR A 76 -9.704 -4.619 -5.578 1.00 0.00 O ATOM 1197 CB THR A 76 -10.571 -6.971 -7.430 1.00 0.00 C ATOM 1198 OG1 THR A 76 -10.643 -7.788 -8.597 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.936 -6.542 -6.956 1.00 0.00 C ATOM 0 H THR A 76 -7.838 -5.715 -7.000 1.00 0.00 H new ATOM 0 HA THR A 76 -10.058 -5.331 -8.782 1.00 0.00 H new ATOM 0 HB THR A 76 -10.104 -7.543 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.873 -7.602 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.522 -7.422 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.832 -5.898 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.442 -5.996 -7.752 1.00 0.00 H new ATOM 1207 N LYS A 77 -10.499 -3.451 -7.296 1.00 0.00 N ATOM 1208 CA LYS A 77 -11.074 -2.232 -6.628 1.00 0.00 C ATOM 1209 C LYS A 77 -12.109 -2.428 -5.483 1.00 0.00 C ATOM 1210 O LYS A 77 -12.934 -3.373 -5.564 1.00 0.00 O ATOM 1211 CB LYS A 77 -11.716 -1.273 -7.684 1.00 0.00 C ATOM 1212 CG LYS A 77 -11.197 -1.339 -9.128 1.00 0.00 C ATOM 1213 CD LYS A 77 -11.751 -2.546 -9.916 1.00 0.00 C ATOM 1214 CE LYS A 77 -12.678 -2.144 -11.062 1.00 0.00 C ATOM 1215 NZ LYS A 77 -13.967 -1.579 -10.610 1.00 0.00 N ATOM 1216 OXT LYS A 77 -12.265 -1.524 -4.641 1.00 0.00 O1- ATOM 0 H LYS A 77 -10.496 -3.344 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.191 -1.820 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.788 -1.469 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.586 -0.251 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.466 -0.419 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.108 -1.390 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.918 -3.123 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.292 -3.200 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.170 -1.412 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.872 -3.017 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.545 -1.329 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.472 -2.283 -10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.792 -0.727 -10.039 1.00 0.00 H new TER 1230 LYS A 77