USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 510 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 16 TYR OH : rot -140:sc= 0.15 USER MOD Set 1.2: A 42 MET CE :methyl -109:sc= -0.784 (180deg=-2.01) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.07 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.323! USER MOD Single : A 3 SER OG : rot 51:sc= 0.343 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -132:sc= -1.14 (180deg=-1.44) USER MOD Single : A 11 THR OG1 : rot 140:sc= 0.182 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.335 (180deg=-1.55!) USER MOD Single : A 22 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.3!) USER MOD Single : A 25 CYS SG : rot 28:sc= 0.16 USER MOD Single : A 28 GLN : amide:sc= -5.51! C(o=-5.5!,f=-10!) USER MOD Single : A 33 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.2) USER MOD Single : A 38 ASN :FLIP amide:sc= -9.82! C(o=-13!,f=-9.8!) USER MOD Single : A 39 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= -0.696 K(o=-0.7,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 21:sc= -2.52! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4.9!) USER MOD Single : A 50 SER OG : rot 3:sc= 0.412 USER MOD Single : A 53 SER OG : rot 180:sc= -0.524 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0724 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0877 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.126 3.809 -27.418 1.00 0.00 N ATOM 2 CA GLY A 1 -0.922 3.661 -26.621 1.00 0.00 C ATOM 3 C GLY A 1 -1.186 3.821 -25.137 1.00 0.00 C ATOM 4 O GLY A 1 -2.240 4.316 -24.737 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.374 2.894 -27.846 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.907 4.130 -26.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.961 4.509 -28.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.486 2.679 -26.806 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.187 4.401 -26.938 1.00 0.00 H new ATOM 8 N SER A 2 -0.228 3.400 -24.318 1.00 0.00 N ATOM 9 CA SER A 2 -0.365 3.493 -22.869 1.00 0.00 C ATOM 10 C SER A 2 0.954 3.160 -22.177 1.00 0.00 C ATOM 11 O SER A 2 1.556 2.118 -22.433 1.00 0.00 O ATOM 12 CB SER A 2 -1.465 2.551 -22.377 1.00 0.00 C ATOM 13 OG SER A 2 -1.040 1.200 -22.429 1.00 0.00 O ATOM 0 H SER A 2 0.652 2.991 -24.633 1.00 0.00 H new ATOM 0 HA SER A 2 -0.638 4.518 -22.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.740 2.810 -21.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.358 2.678 -22.989 1.00 0.00 H new ATOM 0 HG SER A 2 -0.061 1.164 -22.397 1.00 0.00 H new ATOM 19 N SER A 3 1.395 4.054 -21.297 1.00 0.00 N ATOM 20 CA SER A 3 2.643 3.858 -20.569 1.00 0.00 C ATOM 21 C SER A 3 2.403 3.082 -19.278 1.00 0.00 C ATOM 22 O SER A 3 2.285 3.666 -18.202 1.00 0.00 O ATOM 23 CB SER A 3 3.291 5.207 -20.254 1.00 0.00 C ATOM 24 OG SER A 3 2.378 6.071 -19.599 1.00 0.00 O ATOM 0 H SER A 3 0.907 4.921 -21.071 1.00 0.00 H new ATOM 0 HA SER A 3 3.316 3.278 -21.201 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.168 5.055 -19.625 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.638 5.672 -21.177 1.00 0.00 H new ATOM 0 HG SER A 3 1.977 5.605 -18.836 1.00 0.00 H new ATOM 30 N GLY A 4 2.332 1.759 -19.394 1.00 0.00 N ATOM 31 CA GLY A 4 2.106 0.923 -18.229 1.00 0.00 C ATOM 32 C GLY A 4 1.161 1.562 -17.232 1.00 0.00 C ATOM 33 O GLY A 4 0.029 1.906 -17.571 1.00 0.00 O ATOM 0 H GLY A 4 2.427 1.252 -20.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.699 -0.036 -18.548 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.059 0.719 -17.742 1.00 0.00 H new ATOM 37 N SER A 5 1.625 1.719 -15.996 1.00 0.00 N ATOM 38 CA SER A 5 0.810 2.316 -14.944 1.00 0.00 C ATOM 39 C SER A 5 1.638 3.277 -14.095 1.00 0.00 C ATOM 40 O SER A 5 2.844 3.095 -13.930 1.00 0.00 O ATOM 41 CB SER A 5 0.206 1.226 -14.057 1.00 0.00 C ATOM 42 OG SER A 5 -1.023 0.760 -14.588 1.00 0.00 O ATOM 0 H SER A 5 2.560 1.441 -15.699 1.00 0.00 H new ATOM 0 HA SER A 5 0.004 2.878 -15.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.906 0.395 -13.969 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.047 1.617 -13.052 1.00 0.00 H new ATOM 0 HG SER A 5 -1.388 0.063 -14.004 1.00 0.00 H new ATOM 48 N SER A 6 0.980 4.300 -13.559 1.00 0.00 N ATOM 49 CA SER A 6 1.654 5.292 -12.730 1.00 0.00 C ATOM 50 C SER A 6 1.630 4.880 -11.262 1.00 0.00 C ATOM 51 O SER A 6 0.583 4.523 -10.722 1.00 0.00 O ATOM 52 CB SER A 6 0.992 6.662 -12.898 1.00 0.00 C ATOM 53 OG SER A 6 1.680 7.654 -12.157 1.00 0.00 O ATOM 0 H SER A 6 -0.019 4.463 -13.684 1.00 0.00 H new ATOM 0 HA SER A 6 2.693 5.355 -13.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.978 6.936 -13.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.046 6.611 -12.568 1.00 0.00 H new ATOM 0 HG SER A 6 1.239 8.520 -12.282 1.00 0.00 H new ATOM 59 N GLY A 7 2.793 4.933 -10.620 1.00 0.00 N ATOM 60 CA GLY A 7 2.885 4.562 -9.220 1.00 0.00 C ATOM 61 C GLY A 7 2.943 5.768 -8.303 1.00 0.00 C ATOM 62 O GLY A 7 3.614 6.755 -8.607 1.00 0.00 O ATOM 0 H GLY A 7 3.673 5.226 -11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.025 3.947 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.774 3.950 -9.067 1.00 0.00 H new ATOM 66 N SER A 8 2.238 5.690 -7.180 1.00 0.00 N ATOM 67 CA SER A 8 2.207 6.787 -6.218 1.00 0.00 C ATOM 68 C SER A 8 3.018 6.440 -4.974 1.00 0.00 C ATOM 69 O SER A 8 2.646 5.557 -4.200 1.00 0.00 O ATOM 70 CB SER A 8 0.764 7.110 -5.827 1.00 0.00 C ATOM 71 OG SER A 8 0.069 7.720 -6.901 1.00 0.00 O ATOM 0 H SER A 8 1.680 4.879 -6.913 1.00 0.00 H new ATOM 0 HA SER A 8 2.653 7.664 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.251 6.195 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.758 7.774 -4.962 1.00 0.00 H new ATOM 0 HG SER A 8 -0.851 7.915 -6.626 1.00 0.00 H new ATOM 77 N THR A 9 4.131 7.143 -4.786 1.00 0.00 N ATOM 78 CA THR A 9 4.997 6.910 -3.636 1.00 0.00 C ATOM 79 C THR A 9 4.456 7.604 -2.391 1.00 0.00 C ATOM 80 O THR A 9 4.163 8.799 -2.413 1.00 0.00 O ATOM 81 CB THR A 9 6.431 7.405 -3.904 1.00 0.00 C ATOM 82 OG1 THR A 9 6.907 6.877 -5.147 1.00 0.00 O ATOM 83 CG2 THR A 9 7.366 6.989 -2.778 1.00 0.00 C ATOM 0 H THR A 9 4.454 7.878 -5.415 1.00 0.00 H new ATOM 0 HA THR A 9 5.018 5.833 -3.468 1.00 0.00 H new ATOM 0 HB THR A 9 6.413 8.494 -3.956 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.818 7.198 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.373 7.350 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.017 7.417 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.379 5.902 -2.699 1.00 0.00 H new ATOM 91 N MET A 10 4.327 6.847 -1.307 1.00 0.00 N ATOM 92 CA MET A 10 3.823 7.392 -0.051 1.00 0.00 C ATOM 93 C MET A 10 4.719 6.987 1.115 1.00 0.00 C ATOM 94 O MET A 10 5.232 5.868 1.159 1.00 0.00 O ATOM 95 CB MET A 10 2.392 6.912 0.199 1.00 0.00 C ATOM 96 CG MET A 10 1.471 7.098 -0.995 1.00 0.00 C ATOM 97 SD MET A 10 -0.273 6.970 -0.555 1.00 0.00 S ATOM 98 CE MET A 10 -0.517 8.516 0.316 1.00 0.00 C ATOM 0 H MET A 10 4.564 5.856 -1.272 1.00 0.00 H new ATOM 0 HA MET A 10 3.826 8.479 -0.127 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.414 5.856 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 10 1.981 7.451 1.052 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.658 8.074 -1.444 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.707 6.349 -1.751 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.035 8.326 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.450 8.975 0.521 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.115 9.189 -0.298 1.00 0.00 H new ATOM 108 N THR A 11 4.904 7.904 2.060 1.00 0.00 N ATOM 109 CA THR A 11 5.738 7.644 3.226 1.00 0.00 C ATOM 110 C THR A 11 4.889 7.414 4.470 1.00 0.00 C ATOM 111 O THR A 11 3.986 8.196 4.771 1.00 0.00 O ATOM 112 CB THR A 11 6.713 8.807 3.490 1.00 0.00 C ATOM 113 OG1 THR A 11 7.575 8.990 2.362 1.00 0.00 O ATOM 114 CG2 THR A 11 7.546 8.542 4.735 1.00 0.00 C ATOM 0 H THR A 11 4.487 8.834 2.040 1.00 0.00 H new ATOM 0 HA THR A 11 6.311 6.742 3.010 1.00 0.00 H new ATOM 0 HB THR A 11 6.129 9.713 3.649 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.705 9.948 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.227 9.377 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.888 8.433 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.121 7.626 4.600 1.00 0.00 H new ATOM 122 N VAL A 12 5.183 6.337 5.192 1.00 0.00 N ATOM 123 CA VAL A 12 4.447 6.006 6.406 1.00 0.00 C ATOM 124 C VAL A 12 4.589 7.106 7.452 1.00 0.00 C ATOM 125 O VAL A 12 5.657 7.701 7.601 1.00 0.00 O ATOM 126 CB VAL A 12 4.930 4.673 7.009 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.092 4.302 8.223 1.00 0.00 C ATOM 128 CG2 VAL A 12 4.887 3.569 5.963 1.00 0.00 C ATOM 0 H VAL A 12 5.926 5.679 4.957 1.00 0.00 H new ATOM 0 HA VAL A 12 3.398 5.910 6.124 1.00 0.00 H new ATOM 0 HB VAL A 12 5.963 4.794 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.447 3.358 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.179 5.084 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.048 4.198 7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.231 2.635 6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.865 3.446 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.534 3.834 5.127 1.00 0.00 H new ATOM 138 N ILE A 13 3.506 7.370 8.175 1.00 0.00 N ATOM 139 CA ILE A 13 3.511 8.398 9.209 1.00 0.00 C ATOM 140 C ILE A 13 3.359 7.782 10.596 1.00 0.00 C ATOM 141 O ILE A 13 3.873 8.311 11.582 1.00 0.00 O ATOM 142 CB ILE A 13 2.383 9.423 8.989 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.034 8.711 8.862 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.664 10.262 7.751 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.152 9.648 8.927 1.00 0.00 C ATOM 0 H ILE A 13 2.615 6.887 8.064 1.00 0.00 H new ATOM 0 HA ILE A 13 4.472 8.908 9.143 1.00 0.00 H new ATOM 0 HB ILE A 13 2.342 10.087 9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.006 8.168 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.946 7.971 9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.858 10.982 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.607 10.794 7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.729 9.612 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.074 9.075 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.149 10.173 9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.088 10.372 8.115 1.00 0.00 H new ATOM 157 N LYS A 14 2.652 6.660 10.665 1.00 0.00 N ATOM 158 CA LYS A 14 2.434 5.969 11.931 1.00 0.00 C ATOM 159 C LYS A 14 2.581 4.460 11.759 1.00 0.00 C ATOM 160 O LYS A 14 2.108 3.889 10.776 1.00 0.00 O ATOM 161 CB LYS A 14 1.045 6.297 12.483 1.00 0.00 C ATOM 162 CG LYS A 14 0.774 7.787 12.599 1.00 0.00 C ATOM 163 CD LYS A 14 -0.709 8.072 12.773 1.00 0.00 C ATOM 164 CE LYS A 14 -1.005 9.561 12.677 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.883 10.237 13.999 1.00 0.00 N ATOM 0 H LYS A 14 2.220 6.209 9.859 1.00 0.00 H new ATOM 0 HA LYS A 14 3.189 6.312 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.291 5.848 11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.936 5.839 13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.325 8.193 13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.141 8.295 11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.275 7.537 12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.042 7.695 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.318 10.023 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.012 9.707 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.092 11.250 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.556 9.813 14.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.085 10.120 14.361 1.00 0.00 H new ATOM 179 N ASP A 15 3.237 3.821 12.721 1.00 0.00 N ATOM 180 CA ASP A 15 3.443 2.378 12.677 1.00 0.00 C ATOM 181 C ASP A 15 2.136 1.651 12.375 1.00 0.00 C ATOM 182 O ASP A 15 1.050 2.176 12.623 1.00 0.00 O ATOM 183 CB ASP A 15 4.021 1.883 14.004 1.00 0.00 C ATOM 184 CG ASP A 15 3.484 2.655 15.193 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.821 3.850 15.325 1.00 0.00 O ATOM 186 OD2 ASP A 15 2.727 2.064 15.992 1.00 0.00 O ATOM 0 H ASP A 15 3.635 4.279 13.541 1.00 0.00 H new ATOM 0 HA ASP A 15 4.151 2.162 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.788 0.825 14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.107 1.970 13.979 1.00 0.00 H new ATOM 191 N TYR A 16 2.249 0.442 11.837 1.00 0.00 N ATOM 192 CA TYR A 16 1.076 -0.356 11.497 1.00 0.00 C ATOM 193 C TYR A 16 1.421 -1.841 11.454 1.00 0.00 C ATOM 194 O TYR A 16 2.336 -2.257 10.743 1.00 0.00 O ATOM 195 CB TYR A 16 0.506 0.086 10.148 1.00 0.00 C ATOM 196 CG TYR A 16 -0.554 -0.845 9.604 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.881 -0.721 9.993 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.227 -1.848 8.700 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.853 -1.570 9.500 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.192 -2.701 8.200 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.504 -2.558 8.603 1.00 0.00 C ATOM 202 OH TYR A 16 -3.469 -3.405 8.108 1.00 0.00 O ATOM 0 H TYR A 16 3.140 -0.007 11.627 1.00 0.00 H new ATOM 0 HA TYR A 16 0.324 -0.199 12.271 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.082 1.085 10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.319 0.159 9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.158 0.053 10.693 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.799 -1.963 8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.880 -1.461 9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.921 -3.475 7.498 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.109 -4.315 8.053 1.00 0.00 H new ATOM 212 N TYR A 17 0.682 -2.635 12.221 1.00 0.00 N ATOM 213 CA TYR A 17 0.910 -4.075 12.273 1.00 0.00 C ATOM 214 C TYR A 17 -0.046 -4.812 11.340 1.00 0.00 C ATOM 215 O TYR A 17 -1.264 -4.759 11.514 1.00 0.00 O ATOM 216 CB TYR A 17 0.741 -4.587 13.704 1.00 0.00 C ATOM 217 CG TYR A 17 -0.240 -3.780 14.524 1.00 0.00 C ATOM 218 CD1 TYR A 17 0.092 -2.515 14.994 1.00 0.00 C ATOM 219 CD2 TYR A 17 -1.499 -4.282 14.829 1.00 0.00 C ATOM 220 CE1 TYR A 17 -0.801 -1.775 15.744 1.00 0.00 C ATOM 221 CE2 TYR A 17 -2.399 -3.548 15.578 1.00 0.00 C ATOM 222 CZ TYR A 17 -2.045 -2.295 16.033 1.00 0.00 C ATOM 223 OH TYR A 17 -2.937 -1.560 16.779 1.00 0.00 O ATOM 0 H TYR A 17 -0.079 -2.307 12.815 1.00 0.00 H new ATOM 0 HA TYR A 17 1.931 -4.268 11.943 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.408 -5.625 13.673 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.711 -4.578 14.201 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.065 -2.104 14.769 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.779 -5.263 14.475 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.526 -0.794 16.102 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.374 -3.953 15.806 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.767 -2.069 16.892 1.00 0.00 H new ATOM 233 N ALA A 18 0.515 -5.499 10.351 1.00 0.00 N ATOM 234 CA ALA A 18 -0.286 -6.249 9.392 1.00 0.00 C ATOM 235 C ALA A 18 -1.246 -7.199 10.102 1.00 0.00 C ATOM 236 O ALA A 18 -0.822 -8.157 10.749 1.00 0.00 O ATOM 237 CB ALA A 18 0.616 -7.022 8.440 1.00 0.00 C ATOM 0 H ALA A 18 1.521 -5.552 10.193 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.879 -5.538 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.004 -7.577 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.257 -6.325 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.234 -7.718 9.008 1.00 0.00 H new ATOM 243 N LEU A 19 -2.540 -6.926 9.977 1.00 0.00 N ATOM 244 CA LEU A 19 -3.561 -7.756 10.608 1.00 0.00 C ATOM 245 C LEU A 19 -3.797 -9.032 9.806 1.00 0.00 C ATOM 246 O LEU A 19 -4.134 -10.076 10.364 1.00 0.00 O ATOM 247 CB LEU A 19 -4.869 -6.975 10.744 1.00 0.00 C ATOM 248 CG LEU A 19 -5.048 -6.186 12.041 1.00 0.00 C ATOM 249 CD1 LEU A 19 -4.431 -4.802 11.913 1.00 0.00 C ATOM 250 CD2 LEU A 19 -6.522 -6.084 12.404 1.00 0.00 C ATOM 0 H LEU A 19 -2.907 -6.137 9.445 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.207 -8.033 11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.943 -6.281 9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.699 -7.676 10.651 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.534 -6.718 12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.568 -4.255 12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.366 -4.897 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.916 -4.261 11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.630 -5.519 13.330 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.059 -5.575 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.934 -7.084 12.539 1.00 0.00 H new ATOM 262 N LYS A 20 -3.617 -8.940 8.492 1.00 0.00 N ATOM 263 CA LYS A 20 -3.807 -10.087 7.612 1.00 0.00 C ATOM 264 C LYS A 20 -2.466 -10.653 7.158 1.00 0.00 C ATOM 265 O LYS A 20 -1.420 -10.040 7.372 1.00 0.00 O ATOM 266 CB LYS A 20 -4.643 -9.688 6.394 1.00 0.00 C ATOM 267 CG LYS A 20 -6.080 -9.332 6.732 1.00 0.00 C ATOM 268 CD LYS A 20 -6.986 -10.550 6.667 1.00 0.00 C ATOM 269 CE LYS A 20 -7.012 -11.296 7.992 1.00 0.00 C ATOM 270 NZ LYS A 20 -7.199 -10.373 9.146 1.00 0.00 N ATOM 0 H LYS A 20 -3.340 -8.083 8.014 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.336 -10.859 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.172 -8.836 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.640 -10.509 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.123 -8.898 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.440 -8.572 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.997 -10.239 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.642 -11.219 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.818 -12.030 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.080 -11.848 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.731 -10.859 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.270 -10.083 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.727 -9.532 8.836 1.00 0.00 H new ATOM 284 N GLU A 21 -2.504 -11.824 6.530 1.00 0.00 N ATOM 285 CA GLU A 21 -1.290 -12.471 6.046 1.00 0.00 C ATOM 286 C GLU A 21 -0.691 -11.696 4.876 1.00 0.00 C ATOM 287 O GLU A 21 0.527 -11.561 4.766 1.00 0.00 O ATOM 288 CB GLU A 21 -1.588 -13.910 5.620 1.00 0.00 C ATOM 289 CG GLU A 21 -2.688 -14.021 4.578 1.00 0.00 C ATOM 290 CD GLU A 21 -2.920 -15.450 4.126 1.00 0.00 C ATOM 291 OE1 GLU A 21 -1.989 -16.049 3.549 1.00 0.00 O ATOM 292 OE2 GLU A 21 -4.034 -15.968 4.349 1.00 0.00 O ATOM 0 H GLU A 21 -3.362 -12.344 6.345 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.565 -12.484 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.677 -14.359 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.872 -14.489 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.614 -13.619 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.429 -13.408 3.715 1.00 0.00 H new ATOM 299 N ASN A 22 -1.556 -11.189 4.004 1.00 0.00 N ATOM 300 CA ASN A 22 -1.113 -10.429 2.840 1.00 0.00 C ATOM 301 C ASN A 22 -0.496 -9.099 3.263 1.00 0.00 C ATOM 302 O ASN A 22 0.485 -8.645 2.675 1.00 0.00 O ATOM 303 CB ASN A 22 -2.286 -10.180 1.890 1.00 0.00 C ATOM 304 CG ASN A 22 -3.524 -9.688 2.616 1.00 0.00 C ATOM 305 OD1 ASN A 22 -4.264 -10.474 3.207 1.00 0.00 O ATOM 306 ND2 ASN A 22 -3.753 -8.380 2.574 1.00 0.00 N ATOM 0 H ASN A 22 -2.568 -11.290 4.081 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.353 -11.015 2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.993 -9.446 1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.522 -11.102 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.570 -7.990 3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.112 -7.766 2.072 1.00 0.00 H new ATOM 313 N GLU A 23 -1.077 -8.482 4.287 1.00 0.00 N ATOM 314 CA GLU A 23 -0.583 -7.204 4.787 1.00 0.00 C ATOM 315 C GLU A 23 0.808 -7.359 5.396 1.00 0.00 C ATOM 316 O GLU A 23 1.201 -8.454 5.799 1.00 0.00 O ATOM 317 CB GLU A 23 -1.547 -6.632 5.829 1.00 0.00 C ATOM 318 CG GLU A 23 -2.907 -6.264 5.261 1.00 0.00 C ATOM 319 CD GLU A 23 -3.977 -6.160 6.331 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.620 -6.126 7.527 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.172 -6.114 5.971 1.00 0.00 O ATOM 0 H GLU A 23 -1.889 -8.846 4.786 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.518 -6.514 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.681 -7.362 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.099 -5.746 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.831 -5.313 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.204 -7.012 4.526 1.00 0.00 H new ATOM 328 N ILE A 24 1.546 -6.256 5.459 1.00 0.00 N ATOM 329 CA ILE A 24 2.892 -6.269 6.019 1.00 0.00 C ATOM 330 C ILE A 24 3.057 -5.185 7.077 1.00 0.00 C ATOM 331 O ILE A 24 2.325 -4.195 7.086 1.00 0.00 O ATOM 332 CB ILE A 24 3.958 -6.071 4.925 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.856 -4.664 4.332 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.804 -7.123 3.837 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.974 -4.332 3.369 1.00 0.00 C ATOM 0 H ILE A 24 1.235 -5.342 5.129 1.00 0.00 H new ATOM 0 HA ILE A 24 3.033 -7.247 6.480 1.00 0.00 H new ATOM 0 HB ILE A 24 4.944 -6.185 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.901 -4.564 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.858 -3.936 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.565 -6.969 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.922 -8.116 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.815 -7.039 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.837 -3.320 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.931 -4.399 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.960 -5.037 2.538 1.00 0.00 H new ATOM 347 N CYS A 25 4.024 -5.377 7.967 1.00 0.00 N ATOM 348 CA CYS A 25 4.287 -4.414 9.031 1.00 0.00 C ATOM 349 C CYS A 25 5.122 -3.247 8.514 1.00 0.00 C ATOM 350 O CYS A 25 6.113 -3.443 7.810 1.00 0.00 O ATOM 351 CB CYS A 25 5.007 -5.094 10.197 1.00 0.00 C ATOM 352 SG CYS A 25 6.621 -5.786 9.766 1.00 0.00 S ATOM 0 H CYS A 25 4.639 -6.191 7.973 1.00 0.00 H new ATOM 0 HA CYS A 25 3.330 -4.026 9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.137 -4.370 11.001 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.374 -5.892 10.585 1.00 0.00 H new ATOM 0 HG CYS A 25 7.133 -5.112 8.779 1.00 0.00 H new ATOM 358 N VAL A 26 4.714 -2.032 8.866 1.00 0.00 N ATOM 359 CA VAL A 26 5.423 -0.833 8.437 1.00 0.00 C ATOM 360 C VAL A 26 5.684 0.101 9.613 1.00 0.00 C ATOM 361 O VAL A 26 4.985 0.053 10.625 1.00 0.00 O ATOM 362 CB VAL A 26 4.635 -0.071 7.355 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.504 -0.914 6.096 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.266 0.334 7.881 1.00 0.00 C ATOM 0 H VAL A 26 3.896 -1.852 9.448 1.00 0.00 H new ATOM 0 HA VAL A 26 6.375 -1.161 8.019 1.00 0.00 H new ATOM 0 HB VAL A 26 5.184 0.835 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.944 -0.359 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.496 -1.149 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.977 -1.839 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.722 0.871 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.707 -0.558 8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.387 0.979 8.751 1.00 0.00 H new ATOM 374 N SER A 27 6.696 0.952 9.473 1.00 0.00 N ATOM 375 CA SER A 27 7.052 1.896 10.525 1.00 0.00 C ATOM 376 C SER A 27 7.130 3.318 9.976 1.00 0.00 C ATOM 377 O SER A 27 7.644 3.543 8.881 1.00 0.00 O ATOM 378 CB SER A 27 8.390 1.507 11.157 1.00 0.00 C ATOM 379 OG SER A 27 8.243 0.391 12.017 1.00 0.00 O ATOM 0 H SER A 27 7.284 1.007 8.641 1.00 0.00 H new ATOM 0 HA SER A 27 6.274 1.862 11.288 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.111 1.274 10.374 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.790 2.352 11.718 1.00 0.00 H new ATOM 0 HG SER A 27 9.112 0.162 12.407 1.00 0.00 H new ATOM 385 N GLN A 28 6.616 4.271 10.746 1.00 0.00 N ATOM 386 CA GLN A 28 6.626 5.671 10.337 1.00 0.00 C ATOM 387 C GLN A 28 7.999 6.074 9.810 1.00 0.00 C ATOM 388 O GLN A 28 9.012 5.888 10.483 1.00 0.00 O ATOM 389 CB GLN A 28 6.233 6.570 11.511 1.00 0.00 C ATOM 390 CG GLN A 28 6.614 8.029 11.314 1.00 0.00 C ATOM 391 CD GLN A 28 8.100 8.272 11.483 1.00 0.00 C ATOM 392 OE1 GLN A 28 8.832 8.421 10.504 1.00 0.00 O ATOM 393 NE2 GLN A 28 8.555 8.313 12.730 1.00 0.00 N ATOM 0 H GLN A 28 6.188 4.100 11.656 1.00 0.00 H new ATOM 0 HA GLN A 28 5.899 5.794 9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.156 6.502 11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.709 6.198 12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.308 8.349 10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.066 8.643 12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.913 8.184 13.512 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.547 8.473 12.906 1.00 0.00 H new ATOM 402 N GLY A 29 8.025 6.627 8.601 1.00 0.00 N ATOM 403 CA GLY A 29 9.279 7.047 8.004 1.00 0.00 C ATOM 404 C GLY A 29 9.587 6.304 6.719 1.00 0.00 C ATOM 405 O GLY A 29 10.113 6.885 5.770 1.00 0.00 O ATOM 0 H GLY A 29 7.200 6.792 8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.241 8.117 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.089 6.886 8.716 1.00 0.00 H new ATOM 409 N GLU A 30 9.259 5.016 6.688 1.00 0.00 N ATOM 410 CA GLU A 30 9.507 4.193 5.510 1.00 0.00 C ATOM 411 C GLU A 30 8.896 4.828 4.265 1.00 0.00 C ATOM 412 O GLU A 30 8.131 5.789 4.355 1.00 0.00 O ATOM 413 CB GLU A 30 8.935 2.788 5.713 1.00 0.00 C ATOM 414 CG GLU A 30 9.790 1.906 6.607 1.00 0.00 C ATOM 415 CD GLU A 30 10.857 1.153 5.835 1.00 0.00 C ATOM 416 OE1 GLU A 30 10.622 0.839 4.650 1.00 0.00 O ATOM 417 OE2 GLU A 30 11.927 0.878 6.418 1.00 0.00 O ATOM 0 H GLU A 30 8.821 4.520 7.465 1.00 0.00 H new ATOM 0 HA GLU A 30 10.585 4.121 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.937 2.870 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.823 2.306 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.266 2.522 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.150 1.192 7.126 1.00 0.00 H new ATOM 424 N VAL A 31 9.238 4.284 3.101 1.00 0.00 N ATOM 425 CA VAL A 31 8.724 4.796 1.837 1.00 0.00 C ATOM 426 C VAL A 31 8.391 3.659 0.878 1.00 0.00 C ATOM 427 O VAL A 31 9.284 2.989 0.358 1.00 0.00 O ATOM 428 CB VAL A 31 9.734 5.743 1.162 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.156 6.312 -0.125 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.136 6.859 2.114 1.00 0.00 C ATOM 0 H VAL A 31 9.869 3.488 3.008 1.00 0.00 H new ATOM 0 HA VAL A 31 7.815 5.351 2.067 1.00 0.00 H new ATOM 0 HB VAL A 31 10.627 5.172 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.884 6.979 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.923 5.497 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.246 6.868 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.850 7.519 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.252 7.430 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.594 6.430 3.005 1.00 0.00 H new ATOM 440 N VAL A 32 7.100 3.446 0.646 1.00 0.00 N ATOM 441 CA VAL A 32 6.648 2.390 -0.252 1.00 0.00 C ATOM 442 C VAL A 32 6.020 2.972 -1.513 1.00 0.00 C ATOM 443 O VAL A 32 6.011 4.187 -1.709 1.00 0.00 O ATOM 444 CB VAL A 32 5.627 1.465 0.437 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.244 0.806 1.661 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.375 2.242 0.815 1.00 0.00 C ATOM 0 H VAL A 32 6.348 3.991 1.068 1.00 0.00 H new ATOM 0 HA VAL A 32 7.529 1.808 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 32 5.343 0.680 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.508 0.156 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.109 0.215 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.558 1.574 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.664 1.573 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.640 3.048 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.922 2.662 -0.083 1.00 0.00 H new ATOM 456 N GLN A 33 5.494 2.097 -2.364 1.00 0.00 N ATOM 457 CA GLN A 33 4.863 2.526 -3.607 1.00 0.00 C ATOM 458 C GLN A 33 3.499 1.865 -3.781 1.00 0.00 C ATOM 459 O GLN A 33 3.401 0.644 -3.905 1.00 0.00 O ATOM 460 CB GLN A 33 5.760 2.193 -4.800 1.00 0.00 C ATOM 461 CG GLN A 33 6.778 3.277 -5.117 1.00 0.00 C ATOM 462 CD GLN A 33 7.892 2.785 -6.019 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.907 1.625 -6.431 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.834 3.668 -6.332 1.00 0.00 N ATOM 0 H GLN A 33 5.492 1.088 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 33 4.720 3.606 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.286 1.260 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.136 2.025 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.273 4.116 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.207 3.651 -4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.782 4.619 -5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.609 3.394 -6.936 1.00 0.00 H new ATOM 473 N VAL A 34 2.449 2.680 -3.788 1.00 0.00 N ATOM 474 CA VAL A 34 1.091 2.175 -3.948 1.00 0.00 C ATOM 475 C VAL A 34 0.938 1.415 -5.261 1.00 0.00 C ATOM 476 O VAL A 34 1.553 1.765 -6.269 1.00 0.00 O ATOM 477 CB VAL A 34 0.058 3.317 -3.905 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.344 2.779 -4.144 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.136 4.055 -2.577 1.00 0.00 C ATOM 0 H VAL A 34 2.513 3.693 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 34 0.906 1.497 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 34 0.290 4.024 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.060 3.600 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.388 2.300 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.591 2.051 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.600 4.859 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.070 3.361 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.134 4.475 -2.452 1.00 0.00 H new ATOM 489 N LEU A 35 0.113 0.374 -5.243 1.00 0.00 N ATOM 490 CA LEU A 35 -0.123 -0.437 -6.432 1.00 0.00 C ATOM 491 C LEU A 35 -1.602 -0.442 -6.804 1.00 0.00 C ATOM 492 O LEU A 35 -1.956 -0.388 -7.981 1.00 0.00 O ATOM 493 CB LEU A 35 0.362 -1.869 -6.202 1.00 0.00 C ATOM 494 CG LEU A 35 1.837 -2.028 -5.832 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.239 -3.494 -5.858 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.713 -1.215 -6.774 1.00 0.00 C ATOM 0 H LEU A 35 -0.404 0.072 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 35 0.438 0.002 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.240 -2.312 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.171 -2.445 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 35 1.981 -1.652 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.292 -3.587 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.633 -4.050 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.080 -3.897 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.760 -1.340 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.566 -1.561 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.442 -0.161 -6.704 1.00 0.00 H new ATOM 508 N ALA A 36 -2.461 -0.504 -5.792 1.00 0.00 N ATOM 509 CA ALA A 36 -3.902 -0.511 -6.012 1.00 0.00 C ATOM 510 C ALA A 36 -4.659 -0.455 -4.689 1.00 0.00 C ATOM 511 O ALA A 36 -4.055 -0.434 -3.617 1.00 0.00 O ATOM 512 CB ALA A 36 -4.308 -1.745 -6.804 1.00 0.00 C ATOM 0 H ALA A 36 -2.184 -0.550 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.162 0.378 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.387 -1.738 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.801 -1.741 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.028 -2.641 -6.250 1.00 0.00 H new ATOM 518 N VAL A 37 -5.986 -0.430 -4.773 1.00 0.00 N ATOM 519 CA VAL A 37 -6.826 -0.376 -3.583 1.00 0.00 C ATOM 520 C VAL A 37 -7.959 -1.393 -3.664 1.00 0.00 C ATOM 521 O VAL A 37 -8.587 -1.556 -4.709 1.00 0.00 O ATOM 522 CB VAL A 37 -7.425 1.028 -3.381 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.345 1.047 -2.170 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.319 2.063 -3.238 1.00 0.00 C ATOM 0 H VAL A 37 -6.502 -0.446 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.186 -0.615 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.017 1.282 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.759 2.047 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.157 0.335 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.780 0.773 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.760 3.050 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.698 1.816 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.705 2.066 -4.139 1.00 0.00 H new ATOM 534 N ASN A 38 -8.215 -2.076 -2.553 1.00 0.00 N ATOM 535 CA ASN A 38 -9.273 -3.078 -2.498 1.00 0.00 C ATOM 536 C ASN A 38 -10.492 -2.542 -1.753 1.00 0.00 C ATOM 537 O ASN A 38 -10.503 -1.395 -1.307 1.00 0.00 O ATOM 538 CB ASN A 38 -8.764 -4.350 -1.817 1.00 0.00 C ATOM 539 CG ASN A 38 -7.901 -4.052 -0.607 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.408 -3.216 0.291 1.00 0.00 O flip ATOM 541 ND2 ASN A 38 -6.790 -4.569 -0.480 1.00 0.00 N flip ATOM 0 H ASN A 38 -7.704 -1.954 -1.679 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.569 -3.314 -3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.614 -4.961 -1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.190 -4.938 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.439 -5.206 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.221 -4.360 0.340 1.00 0.00 H new ATOM 548 N GLN A 39 -11.515 -3.380 -1.622 1.00 0.00 N ATOM 549 CA GLN A 39 -12.738 -2.990 -0.932 1.00 0.00 C ATOM 550 C GLN A 39 -12.501 -2.869 0.570 1.00 0.00 C ATOM 551 O GLN A 39 -13.319 -2.300 1.293 1.00 0.00 O ATOM 552 CB GLN A 39 -13.849 -4.006 -1.204 1.00 0.00 C ATOM 553 CG GLN A 39 -15.245 -3.469 -0.932 1.00 0.00 C ATOM 554 CD GLN A 39 -16.215 -4.555 -0.510 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.926 -5.745 -0.632 1.00 0.00 O ATOM 556 NE2 GLN A 39 -17.376 -4.148 -0.008 1.00 0.00 N ATOM 0 H GLN A 39 -11.521 -4.333 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.045 -2.016 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.789 -4.328 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.682 -4.889 -0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.193 -2.710 -0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.623 -2.978 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.574 -3.151 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.069 -4.833 0.294 1.00 0.00 H new ATOM 565 N GLN A 40 -11.376 -3.407 1.032 1.00 0.00 N ATOM 566 CA GLN A 40 -11.033 -3.359 2.448 1.00 0.00 C ATOM 567 C GLN A 40 -10.501 -1.983 2.833 1.00 0.00 C ATOM 568 O GLN A 40 -10.032 -1.778 3.952 1.00 0.00 O ATOM 569 CB GLN A 40 -9.993 -4.432 2.778 1.00 0.00 C ATOM 570 CG GLN A 40 -10.586 -5.821 2.952 1.00 0.00 C ATOM 571 CD GLN A 40 -11.701 -5.855 3.978 1.00 0.00 C ATOM 572 OE1 GLN A 40 -11.810 -4.967 4.823 1.00 0.00 O ATOM 573 NE2 GLN A 40 -12.538 -6.884 3.908 1.00 0.00 N ATOM 0 H GLN A 40 -10.688 -3.880 0.447 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.939 -3.551 3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.248 -4.461 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.471 -4.151 3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.969 -6.171 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.799 -6.513 3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.410 -7.598 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.309 -6.960 4.572 1.00 0.00 H new ATOM 582 N ASN A 41 -10.576 -1.042 1.897 1.00 0.00 N ATOM 583 CA ASN A 41 -10.101 0.316 2.139 1.00 0.00 C ATOM 584 C ASN A 41 -8.602 0.325 2.422 1.00 0.00 C ATOM 585 O ASN A 41 -8.136 1.017 3.327 1.00 0.00 O ATOM 586 CB ASN A 41 -10.857 0.942 3.312 1.00 0.00 C ATOM 587 CG ASN A 41 -12.299 1.261 2.966 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.194 0.439 3.166 1.00 0.00 O ATOM 589 ND2 ASN A 41 -12.531 2.460 2.444 1.00 0.00 N ATOM 0 H ASN A 41 -10.961 -1.195 0.965 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.287 0.905 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.832 0.260 4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.350 1.856 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.481 2.731 2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.759 3.110 2.296 1.00 0.00 H new ATOM 596 N MET A 42 -7.853 -0.447 1.642 1.00 0.00 N ATOM 597 CA MET A 42 -6.406 -0.526 1.808 1.00 0.00 C ATOM 598 C MET A 42 -5.691 -0.210 0.499 1.00 0.00 C ATOM 599 O MET A 42 -6.306 -0.199 -0.568 1.00 0.00 O ATOM 600 CB MET A 42 -6.003 -1.918 2.300 1.00 0.00 C ATOM 601 CG MET A 42 -6.887 -2.446 3.419 1.00 0.00 C ATOM 602 SD MET A 42 -6.137 -3.827 4.303 1.00 0.00 S ATOM 603 CE MET A 42 -4.762 -3.007 5.107 1.00 0.00 C ATOM 0 H MET A 42 -8.224 -1.027 0.889 1.00 0.00 H new ATOM 0 HA MET A 42 -6.109 0.214 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.036 -2.614 1.462 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.970 -1.887 2.648 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.096 -1.640 4.122 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.843 -2.762 3.003 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.828 -3.318 4.638 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.875 -1.927 5.009 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.745 -3.276 6.163 1.00 0.00 H new ATOM 613 N CYS A 43 -4.390 0.046 0.587 1.00 0.00 N ATOM 614 CA CYS A 43 -3.591 0.363 -0.591 1.00 0.00 C ATOM 615 C CYS A 43 -2.408 -0.591 -0.719 1.00 0.00 C ATOM 616 O CYS A 43 -1.487 -0.567 0.098 1.00 0.00 O ATOM 617 CB CYS A 43 -3.093 1.807 -0.521 1.00 0.00 C ATOM 618 SG CYS A 43 -4.394 3.047 -0.719 1.00 0.00 S ATOM 0 H CYS A 43 -3.866 0.040 1.462 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.224 0.247 -1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.600 1.964 0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.341 1.958 -1.295 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.548 2.513 -0.448 1.00 0.00 H new ATOM 624 N LEU A 44 -2.440 -1.431 -1.747 1.00 0.00 N ATOM 625 CA LEU A 44 -1.371 -2.395 -1.981 1.00 0.00 C ATOM 626 C LEU A 44 -0.044 -1.686 -2.233 1.00 0.00 C ATOM 627 O LEU A 44 0.214 -1.203 -3.336 1.00 0.00 O ATOM 628 CB LEU A 44 -1.717 -3.291 -3.171 1.00 0.00 C ATOM 629 CG LEU A 44 -0.767 -4.462 -3.429 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.425 -5.168 -2.127 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.380 -5.437 -4.423 1.00 0.00 C ATOM 0 H LEU A 44 -3.195 -1.464 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.269 -3.011 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.720 -3.690 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.751 -2.673 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 44 0.155 -4.070 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.252 -5.998 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.057 -4.465 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.338 -5.548 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.690 -6.263 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.317 -5.824 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.572 -4.923 -5.365 1.00 0.00 H new ATOM 643 N VAL A 45 0.796 -1.628 -1.204 1.00 0.00 N ATOM 644 CA VAL A 45 2.098 -0.981 -1.315 1.00 0.00 C ATOM 645 C VAL A 45 3.218 -2.012 -1.400 1.00 0.00 C ATOM 646 O VAL A 45 3.165 -3.057 -0.752 1.00 0.00 O ATOM 647 CB VAL A 45 2.364 -0.048 -0.119 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.460 1.174 -0.183 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.172 -0.795 1.192 1.00 0.00 C ATOM 0 H VAL A 45 0.598 -2.021 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 45 2.081 -0.390 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 45 3.398 0.292 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.662 1.821 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.652 1.720 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.417 0.857 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.364 -0.121 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.149 -1.166 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.865 -1.635 1.237 1.00 0.00 H new ATOM 659 N TYR A 46 4.231 -1.710 -2.204 1.00 0.00 N ATOM 660 CA TYR A 46 5.364 -2.611 -2.377 1.00 0.00 C ATOM 661 C TYR A 46 6.515 -2.223 -1.453 1.00 0.00 C ATOM 662 O TYR A 46 7.156 -1.190 -1.645 1.00 0.00 O ATOM 663 CB TYR A 46 5.837 -2.598 -3.832 1.00 0.00 C ATOM 664 CG TYR A 46 6.982 -3.547 -4.105 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.286 -3.210 -3.764 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.760 -4.781 -4.704 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.335 -4.073 -4.012 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.803 -5.651 -4.956 1.00 0.00 C ATOM 669 CZ TYR A 46 9.089 -5.293 -4.608 1.00 0.00 C ATOM 670 OH TYR A 46 10.131 -6.156 -4.856 1.00 0.00 O ATOM 0 H TYR A 46 4.291 -0.848 -2.746 1.00 0.00 H new ATOM 0 HA TYR A 46 5.037 -3.618 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.999 -2.857 -4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.144 -1.586 -4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.483 -2.256 -3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.754 -5.065 -4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.343 -3.795 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.613 -6.606 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 46 9.787 -6.971 -5.278 1.00 0.00 H new ATOM 680 N GLN A 47 6.769 -3.059 -0.452 1.00 0.00 N ATOM 681 CA GLN A 47 7.842 -2.803 0.502 1.00 0.00 C ATOM 682 C GLN A 47 9.140 -3.467 0.052 1.00 0.00 C ATOM 683 O GLN A 47 9.291 -4.688 0.102 1.00 0.00 O ATOM 684 CB GLN A 47 7.450 -3.311 1.891 1.00 0.00 C ATOM 685 CG GLN A 47 8.574 -3.222 2.911 1.00 0.00 C ATOM 686 CD GLN A 47 8.066 -3.215 4.339 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.606 -4.236 4.851 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.147 -2.061 4.991 1.00 0.00 N ATOM 0 H GLN A 47 6.247 -3.919 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 47 8.003 -1.726 0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.597 -2.736 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.125 -4.348 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.251 -4.065 2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.152 -2.316 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.535 -1.240 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.821 -1.996 5.955 1.00 0.00 H new ATOM 697 N PRO A 48 10.100 -2.646 -0.397 1.00 0.00 N ATOM 698 CA PRO A 48 11.402 -3.131 -0.865 1.00 0.00 C ATOM 699 C PRO A 48 12.261 -3.672 0.273 1.00 0.00 C ATOM 700 O PRO A 48 11.996 -3.404 1.445 1.00 0.00 O ATOM 701 CB PRO A 48 12.047 -1.884 -1.476 1.00 0.00 C ATOM 702 CG PRO A 48 11.397 -0.740 -0.776 1.00 0.00 C ATOM 703 CD PRO A 48 9.989 -1.180 -0.484 1.00 0.00 C ATOM 0 HA PRO A 48 11.301 -3.961 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.126 -1.881 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.878 -1.838 -2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.927 -0.493 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.405 0.154 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.618 -0.749 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.301 -0.875 -1.273 1.00 0.00 H new ATOM 711 N ALA A 49 13.291 -4.433 -0.080 1.00 0.00 N ATOM 712 CA ALA A 49 14.191 -5.009 0.911 1.00 0.00 C ATOM 713 C ALA A 49 14.570 -3.981 1.972 1.00 0.00 C ATOM 714 O ALA A 49 14.982 -2.867 1.651 1.00 0.00 O ATOM 715 CB ALA A 49 15.439 -5.559 0.236 1.00 0.00 C ATOM 0 H ALA A 49 13.523 -4.665 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 49 13.669 -5.828 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.102 -5.986 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.156 -6.332 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.955 -4.754 -0.287 1.00 0.00 H new ATOM 721 N SER A 50 14.427 -4.363 3.237 1.00 0.00 N ATOM 722 CA SER A 50 14.750 -3.472 4.346 1.00 0.00 C ATOM 723 C SER A 50 15.067 -4.268 5.608 1.00 0.00 C ATOM 724 O SER A 50 14.670 -5.426 5.741 1.00 0.00 O ATOM 725 CB SER A 50 13.588 -2.513 4.612 1.00 0.00 C ATOM 726 OG SER A 50 13.387 -1.638 3.515 1.00 0.00 O ATOM 0 H SER A 50 14.090 -5.283 3.520 1.00 0.00 H new ATOM 0 HA SER A 50 15.633 -2.895 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.678 -3.083 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.790 -1.932 5.512 1.00 0.00 H new ATOM 0 HG SER A 50 14.014 -1.865 2.797 1.00 0.00 H new ATOM 732 N ASP A 51 15.784 -3.639 6.532 1.00 0.00 N ATOM 733 CA ASP A 51 16.154 -4.286 7.785 1.00 0.00 C ATOM 734 C ASP A 51 14.925 -4.855 8.487 1.00 0.00 C ATOM 735 O ASP A 51 14.936 -5.993 8.957 1.00 0.00 O ATOM 736 CB ASP A 51 16.868 -3.295 8.705 1.00 0.00 C ATOM 737 CG ASP A 51 18.283 -2.998 8.249 1.00 0.00 C ATOM 738 OD1 ASP A 51 18.482 -2.783 7.035 1.00 0.00 O ATOM 739 OD2 ASP A 51 19.192 -2.981 9.105 1.00 0.00 O ATOM 0 H ASP A 51 16.121 -2.681 6.437 1.00 0.00 H new ATOM 0 HA ASP A 51 16.831 -5.108 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.300 -2.366 8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.893 -3.697 9.718 1.00 0.00 H new ATOM 744 N HIS A 52 13.865 -4.055 8.554 1.00 0.00 N ATOM 745 CA HIS A 52 12.627 -4.479 9.199 1.00 0.00 C ATOM 746 C HIS A 52 12.019 -5.677 8.474 1.00 0.00 C ATOM 747 O HIS A 52 11.679 -6.683 9.096 1.00 0.00 O ATOM 748 CB HIS A 52 11.624 -3.326 9.232 1.00 0.00 C ATOM 749 CG HIS A 52 11.988 -2.243 10.200 1.00 0.00 C ATOM 750 ND1 HIS A 52 11.050 -1.499 10.885 1.00 0.00 N ATOM 751 CD2 HIS A 52 13.196 -1.781 10.598 1.00 0.00 C ATOM 752 CE1 HIS A 52 11.666 -0.625 11.661 1.00 0.00 C ATOM 753 NE2 HIS A 52 12.969 -0.775 11.506 1.00 0.00 N ATOM 0 H HIS A 52 13.839 -3.110 8.170 1.00 0.00 H new ATOM 0 HA HIS A 52 12.862 -4.776 10.221 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.543 -2.897 8.233 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.641 -3.718 9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 52 14.159 -2.137 10.264 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.186 0.091 12.312 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.689 -0.233 11.983 1.00 0.00 H new ATOM 762 N SER A 53 11.886 -5.560 7.157 1.00 0.00 N ATOM 763 CA SER A 53 11.315 -6.631 6.349 1.00 0.00 C ATOM 764 C SER A 53 11.907 -6.625 4.943 1.00 0.00 C ATOM 765 O SER A 53 12.189 -5.575 4.365 1.00 0.00 O ATOM 766 CB SER A 53 9.794 -6.488 6.275 1.00 0.00 C ATOM 767 OG SER A 53 9.243 -7.380 5.321 1.00 0.00 O ATOM 0 H SER A 53 12.166 -4.735 6.627 1.00 0.00 H new ATOM 0 HA SER A 53 11.560 -7.581 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.359 -6.685 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.534 -5.463 6.011 1.00 0.00 H new ATOM 0 HG SER A 53 8.270 -7.270 5.294 1.00 0.00 H new ATOM 773 N PRO A 54 12.099 -7.826 4.378 1.00 0.00 N ATOM 774 CA PRO A 54 12.659 -7.988 3.032 1.00 0.00 C ATOM 775 C PRO A 54 11.697 -7.521 1.945 1.00 0.00 C ATOM 776 O PRO A 54 10.594 -7.059 2.235 1.00 0.00 O ATOM 777 CB PRO A 54 12.896 -9.496 2.925 1.00 0.00 C ATOM 778 CG PRO A 54 11.923 -10.101 3.878 1.00 0.00 C ATOM 779 CD PRO A 54 11.785 -9.119 5.008 1.00 0.00 C ATOM 0 HA PRO A 54 13.560 -7.391 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.728 -9.852 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.921 -9.755 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.962 -10.278 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.280 -11.065 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.779 -9.128 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.472 -9.346 5.823 1.00 0.00 H new ATOM 787 N ALA A 55 12.122 -7.646 0.692 1.00 0.00 N ATOM 788 CA ALA A 55 11.297 -7.239 -0.439 1.00 0.00 C ATOM 789 C ALA A 55 10.014 -8.061 -0.506 1.00 0.00 C ATOM 790 O ALA A 55 10.054 -9.278 -0.680 1.00 0.00 O ATOM 791 CB ALA A 55 12.079 -7.372 -1.737 1.00 0.00 C ATOM 0 H ALA A 55 13.033 -8.026 0.434 1.00 0.00 H new ATOM 0 HA ALA A 55 11.021 -6.194 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.451 -7.065 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.964 -6.737 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.383 -8.410 -1.874 1.00 0.00 H new ATOM 797 N ALA A 56 8.878 -7.387 -0.366 1.00 0.00 N ATOM 798 CA ALA A 56 7.583 -8.054 -0.412 1.00 0.00 C ATOM 799 C ALA A 56 6.453 -7.049 -0.609 1.00 0.00 C ATOM 800 O ALA A 56 6.565 -5.891 -0.209 1.00 0.00 O ATOM 801 CB ALA A 56 7.359 -8.860 0.860 1.00 0.00 C ATOM 0 H ALA A 56 8.828 -6.379 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 56 7.582 -8.733 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.388 -9.353 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.143 -9.611 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.386 -8.194 1.722 1.00 0.00 H new ATOM 807 N GLU A 57 5.368 -7.500 -1.230 1.00 0.00 N ATOM 808 CA GLU A 57 4.219 -6.638 -1.481 1.00 0.00 C ATOM 809 C GLU A 57 3.150 -6.829 -0.409 1.00 0.00 C ATOM 810 O GLU A 57 2.576 -7.909 -0.274 1.00 0.00 O ATOM 811 CB GLU A 57 3.628 -6.928 -2.863 1.00 0.00 C ATOM 812 CG GLU A 57 2.529 -5.961 -3.270 1.00 0.00 C ATOM 813 CD GLU A 57 1.523 -6.587 -4.216 1.00 0.00 C ATOM 814 OE1 GLU A 57 0.824 -7.534 -3.798 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.435 -6.130 -5.375 1.00 0.00 O ATOM 0 H GLU A 57 5.260 -8.456 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 57 4.560 -5.603 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.426 -6.891 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.230 -7.943 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.012 -5.608 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.976 -5.088 -3.746 1.00 0.00 H new ATOM 822 N GLY A 58 2.888 -5.771 0.353 1.00 0.00 N ATOM 823 CA GLY A 58 1.890 -5.842 1.404 1.00 0.00 C ATOM 824 C GLY A 58 0.928 -4.671 1.370 1.00 0.00 C ATOM 825 O GLY A 58 1.280 -3.584 0.914 1.00 0.00 O ATOM 0 H GLY A 58 3.349 -4.866 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.329 -6.772 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.389 -5.871 2.373 1.00 0.00 H new ATOM 829 N TRP A 59 -0.289 -4.894 1.853 1.00 0.00 N ATOM 830 CA TRP A 59 -1.305 -3.848 1.875 1.00 0.00 C ATOM 831 C TRP A 59 -1.184 -2.997 3.134 1.00 0.00 C ATOM 832 O TRP A 59 -0.713 -3.467 4.170 1.00 0.00 O ATOM 833 CB TRP A 59 -2.702 -4.464 1.793 1.00 0.00 C ATOM 834 CG TRP A 59 -2.963 -5.175 0.500 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.495 -6.404 0.131 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.752 -4.699 -0.596 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.946 -6.721 -1.128 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.719 -5.691 -1.595 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.484 -3.532 -0.830 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.389 -5.549 -2.808 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.148 -3.392 -2.034 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.098 -4.396 -3.010 1.00 0.00 C ATOM 0 H TRP A 59 -0.596 -5.789 2.234 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.148 -3.205 1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.831 -5.165 2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.446 -3.678 1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.863 -7.034 0.739 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.739 -7.583 -1.633 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.530 -2.753 -0.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.350 -6.321 -3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.715 -2.493 -2.226 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.629 -4.257 -3.940 1.00 0.00 H new ATOM 853 N VAL A 60 -1.612 -1.742 3.039 1.00 0.00 N ATOM 854 CA VAL A 60 -1.552 -0.826 4.172 1.00 0.00 C ATOM 855 C VAL A 60 -2.641 0.237 4.077 1.00 0.00 C ATOM 856 O VAL A 60 -3.032 0.665 2.991 1.00 0.00 O ATOM 857 CB VAL A 60 -0.180 -0.133 4.262 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.942 -1.152 4.134 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.057 0.945 3.196 1.00 0.00 C ATOM 0 H VAL A 60 -2.004 -1.336 2.189 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.708 -1.423 5.070 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.096 0.343 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.904 -0.644 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.862 -1.884 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.865 -1.659 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.919 1.424 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.162 0.494 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.840 1.690 3.340 1.00 0.00 H new ATOM 869 N PRO A 61 -3.143 0.675 5.241 1.00 0.00 N ATOM 870 CA PRO A 61 -4.193 1.695 5.316 1.00 0.00 C ATOM 871 C PRO A 61 -3.693 3.074 4.900 1.00 0.00 C ATOM 872 O PRO A 61 -2.807 3.643 5.538 1.00 0.00 O ATOM 873 CB PRO A 61 -4.585 1.693 6.796 1.00 0.00 C ATOM 874 CG PRO A 61 -3.376 1.191 7.507 1.00 0.00 C ATOM 875 CD PRO A 61 -2.724 0.209 6.573 1.00 0.00 C ATOM 0 HA PRO A 61 -5.021 1.477 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.857 2.693 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.446 1.050 6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.698 2.009 7.749 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.647 0.713 8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.639 0.214 6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.058 -0.811 6.765 1.00 0.00 H new ATOM 883 N GLY A 62 -4.266 3.608 3.825 1.00 0.00 N ATOM 884 CA GLY A 62 -3.865 4.917 3.343 1.00 0.00 C ATOM 885 C GLY A 62 -3.824 5.954 4.448 1.00 0.00 C ATOM 886 O GLY A 62 -3.175 6.991 4.311 1.00 0.00 O ATOM 0 H GLY A 62 -5.001 3.157 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.881 4.845 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.558 5.244 2.568 1.00 0.00 H new ATOM 890 N SER A 63 -4.521 5.675 5.545 1.00 0.00 N ATOM 891 CA SER A 63 -4.566 6.595 6.676 1.00 0.00 C ATOM 892 C SER A 63 -3.159 6.925 7.164 1.00 0.00 C ATOM 893 O SER A 63 -2.846 8.080 7.456 1.00 0.00 O ATOM 894 CB SER A 63 -5.387 5.993 7.818 1.00 0.00 C ATOM 895 OG SER A 63 -4.707 4.901 8.413 1.00 0.00 O ATOM 0 H SER A 63 -5.062 4.820 5.675 1.00 0.00 H new ATOM 0 HA SER A 63 -5.042 7.518 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.584 6.757 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.354 5.661 7.440 1.00 0.00 H new ATOM 0 HG SER A 63 -5.251 4.534 9.141 1.00 0.00 H new ATOM 901 N ILE A 64 -2.315 5.902 7.252 1.00 0.00 N ATOM 902 CA ILE A 64 -0.941 6.083 7.704 1.00 0.00 C ATOM 903 C ILE A 64 -0.015 6.404 6.536 1.00 0.00 C ATOM 904 O ILE A 64 1.208 6.335 6.661 1.00 0.00 O ATOM 905 CB ILE A 64 -0.417 4.828 8.429 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.239 3.677 7.437 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.367 4.428 9.548 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.669 2.579 7.943 1.00 0.00 C ATOM 0 H ILE A 64 -2.559 4.940 7.016 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.946 6.921 8.401 1.00 0.00 H new ATOM 0 HB ILE A 64 0.554 5.058 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.216 3.252 7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.165 4.071 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.984 3.540 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.448 5.245 10.265 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.351 4.212 9.131 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.749 1.797 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.658 2.990 8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.255 2.158 8.859 1.00 0.00 H new ATOM 920 N LEU A 65 -0.607 6.758 5.400 1.00 0.00 N ATOM 921 CA LEU A 65 0.165 7.093 4.208 1.00 0.00 C ATOM 922 C LEU A 65 0.008 8.569 3.855 1.00 0.00 C ATOM 923 O LEU A 65 -1.082 9.130 3.960 1.00 0.00 O ATOM 924 CB LEU A 65 -0.279 6.225 3.029 1.00 0.00 C ATOM 925 CG LEU A 65 0.066 4.738 3.123 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.355 4.011 1.855 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.554 4.550 3.379 1.00 0.00 C ATOM 0 H LEU A 65 -1.618 6.820 5.279 1.00 0.00 H new ATOM 0 HA LEU A 65 1.217 6.899 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.359 6.321 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.170 6.625 2.120 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.483 4.310 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.102 2.954 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.431 4.116 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.165 4.441 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.781 3.486 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.123 4.994 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.826 5.036 4.316 1.00 0.00 H new ATOM 939 N ALA A 66 1.104 9.191 3.434 1.00 0.00 N ATOM 940 CA ALA A 66 1.087 10.600 3.061 1.00 0.00 C ATOM 941 C ALA A 66 1.824 10.828 1.745 1.00 0.00 C ATOM 942 O ALA A 66 2.712 10.066 1.363 1.00 0.00 O ATOM 943 CB ALA A 66 1.703 11.446 4.166 1.00 0.00 C ATOM 0 H ALA A 66 2.015 8.741 3.343 1.00 0.00 H new ATOM 0 HA ALA A 66 0.049 10.902 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.684 12.496 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.133 11.315 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.734 11.134 4.331 1.00 0.00 H new ATOM 949 N PRO A 67 1.447 11.902 1.034 1.00 0.00 N ATOM 950 CA PRO A 67 2.060 12.255 -0.250 1.00 0.00 C ATOM 951 C PRO A 67 3.496 12.741 -0.093 1.00 0.00 C ATOM 952 O PRO A 67 3.739 13.917 0.179 1.00 0.00 O ATOM 953 CB PRO A 67 1.167 13.385 -0.769 1.00 0.00 C ATOM 954 CG PRO A 67 0.565 13.985 0.454 1.00 0.00 C ATOM 955 CD PRO A 67 0.396 12.854 1.430 1.00 0.00 C ATOM 0 HA PRO A 67 2.122 11.399 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.745 14.121 -1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.399 13.005 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.209 14.762 0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.394 14.452 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.524 13.189 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.596 12.409 1.361 1.00 0.00 H new ATOM 963 N PHE A 68 4.447 11.828 -0.267 1.00 0.00 N ATOM 964 CA PHE A 68 5.861 12.164 -0.144 1.00 0.00 C ATOM 965 C PHE A 68 6.250 13.250 -1.143 1.00 0.00 C ATOM 966 O PHE A 68 6.029 13.111 -2.345 1.00 0.00 O ATOM 967 CB PHE A 68 6.723 10.920 -0.364 1.00 0.00 C ATOM 968 CG PHE A 68 8.189 11.158 -0.139 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.644 11.664 1.068 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.111 10.878 -1.134 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.992 11.885 1.280 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.460 11.096 -0.928 1.00 0.00 C ATOM 973 CZ PHE A 68 10.901 11.601 0.280 1.00 0.00 C ATOM 0 H PHE A 68 4.264 10.850 -0.493 1.00 0.00 H new ATOM 0 HA PHE A 68 6.033 12.543 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.384 10.130 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.574 10.560 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.937 11.888 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.772 10.485 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.334 12.279 2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.169 10.872 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.955 11.773 0.442 1.00 0.00 H new ATOM 983 N SER A 69 6.831 14.332 -0.634 1.00 0.00 N ATOM 984 CA SER A 69 7.248 15.445 -1.479 1.00 0.00 C ATOM 985 C SER A 69 8.723 15.322 -1.850 1.00 0.00 C ATOM 986 O SER A 69 9.578 15.989 -1.268 1.00 0.00 O ATOM 987 CB SER A 69 6.998 16.776 -0.768 1.00 0.00 C ATOM 988 OG SER A 69 7.085 17.862 -1.673 1.00 0.00 O ATOM 0 H SER A 69 7.024 14.461 0.359 1.00 0.00 H new ATOM 0 HA SER A 69 6.657 15.415 -2.394 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.012 16.764 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.726 16.907 0.033 1.00 0.00 H new ATOM 0 HG SER A 69 6.920 18.701 -1.194 1.00 0.00 H new ATOM 994 N GLY A 70 9.014 14.464 -2.823 1.00 0.00 N ATOM 995 CA GLY A 70 10.385 14.269 -3.255 1.00 0.00 C ATOM 996 C GLY A 70 10.522 13.141 -4.259 1.00 0.00 C ATOM 997 O GLY A 70 10.847 12.006 -3.909 1.00 0.00 O ATOM 0 H GLY A 70 8.324 13.900 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.758 15.193 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.009 14.057 -2.387 1.00 0.00 H new ATOM 1001 N PRO A 71 10.269 13.450 -5.539 1.00 0.00 N ATOM 1002 CA PRO A 71 10.358 12.467 -6.623 1.00 0.00 C ATOM 1003 C PRO A 71 11.796 12.046 -6.907 1.00 0.00 C ATOM 1004 O PRO A 71 12.703 12.877 -6.930 1.00 0.00 O ATOM 1005 CB PRO A 71 9.771 13.211 -7.826 1.00 0.00 C ATOM 1006 CG PRO A 71 9.988 14.653 -7.522 1.00 0.00 C ATOM 1007 CD PRO A 71 9.877 14.783 -6.028 1.00 0.00 C ATOM 0 HA PRO A 71 9.834 11.543 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.269 12.922 -8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.711 12.988 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.967 14.982 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.246 15.274 -8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.535 15.562 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.863 15.041 -5.721 1.00 0.00 H new ATOM 1015 N SER A 72 11.996 10.750 -7.123 1.00 0.00 N ATOM 1016 CA SER A 72 13.324 10.218 -7.402 1.00 0.00 C ATOM 1017 C SER A 72 13.237 8.970 -8.275 1.00 0.00 C ATOM 1018 O SER A 72 12.189 8.331 -8.362 1.00 0.00 O ATOM 1019 CB SER A 72 14.051 9.890 -6.096 1.00 0.00 C ATOM 1020 OG SER A 72 14.138 11.032 -5.261 1.00 0.00 O ATOM 0 H SER A 72 11.255 10.049 -7.110 1.00 0.00 H new ATOM 0 HA SER A 72 13.887 10.980 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.524 9.092 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.052 9.519 -6.316 1.00 0.00 H new ATOM 0 HG SER A 72 14.605 10.796 -4.432 1.00 0.00 H new ATOM 1026 N SER A 73 14.348 8.629 -8.922 1.00 0.00 N ATOM 1027 CA SER A 73 14.397 7.460 -9.792 1.00 0.00 C ATOM 1028 C SER A 73 15.416 6.445 -9.281 1.00 0.00 C ATOM 1029 O SER A 73 15.116 5.259 -9.152 1.00 0.00 O ATOM 1030 CB SER A 73 14.749 7.876 -11.221 1.00 0.00 C ATOM 1031 OG SER A 73 16.025 8.491 -11.275 1.00 0.00 O ATOM 0 H SER A 73 15.225 9.146 -8.860 1.00 0.00 H new ATOM 0 HA SER A 73 13.412 6.994 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.736 7.001 -11.871 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.994 8.565 -11.599 1.00 0.00 H new ATOM 0 HG SER A 73 16.226 8.746 -12.200 1.00 0.00 H new ATOM 1037 N GLY A 74 16.623 6.921 -8.992 1.00 0.00 N ATOM 1038 CA GLY A 74 17.668 6.044 -8.499 1.00 0.00 C ATOM 1039 C GLY A 74 18.741 6.793 -7.735 1.00 0.00 C ATOM 1040 O GLY A 74 19.933 6.547 -7.922 1.00 0.00 O ATOM 0 H GLY A 74 16.896 7.899 -9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.227 5.287 -7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.124 5.519 -9.339 1.00 0.00 H new TER 1044 GLY A 74