USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 0 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -128:sc= 0.0532 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= -0.143 (180deg=-1.42) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.38 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0355 X(o=-0.036,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc=-0.00437 X(o=-0.0044,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.7!) USER MOD Single : A 45 THR OG1 : rot 67:sc= 0.0329 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00605) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -166:sc= -0.0176 USER MOD Single : A 55 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-1.7) USER MOD Single : A 56 TYR OH : rot 0:sc= -1.35 USER MOD Single : A 58 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.024) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 73 ASN : amide:sc= -0.345 K(o=-0.34,f=-3.7!) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 1.08 (180deg=-0.186) USER MOD Single : A 80 TYR OH : rot -151:sc= 1.2 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 32.252 -3.266 -9.341 1.00 0.00 N ATOM 2 CA GLY A -2 31.275 -2.346 -8.788 1.00 0.00 C ATOM 3 C GLY A -2 29.867 -2.637 -9.269 1.00 0.00 C ATOM 4 O GLY A -2 29.566 -3.754 -9.690 1.00 0.00 O ATOM 0 H1 GLY A -2 32.817 -3.677 -8.571 1.00 0.00 H new ATOM 0 H2 GLY A -2 31.762 -4.026 -9.854 1.00 0.00 H new ATOM 0 H3 GLY A -2 32.878 -2.755 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A -2 31.303 -2.402 -7.700 1.00 0.00 H new ATOM 0 HA3 GLY A -2 31.545 -1.326 -9.061 1.00 0.00 H new ATOM 8 N SER A -1 29.002 -1.630 -9.206 1.00 0.00 N ATOM 9 CA SER A -1 27.616 -1.785 -9.633 1.00 0.00 C ATOM 10 C SER A -1 27.499 -1.666 -11.150 1.00 0.00 C ATOM 11 O SER A -1 27.422 -0.564 -11.694 1.00 0.00 O ATOM 12 CB SER A -1 26.732 -0.735 -8.958 1.00 0.00 C ATOM 13 OG SER A -1 25.361 -0.973 -9.228 1.00 0.00 O ATOM 0 H SER A -1 29.236 -0.698 -8.864 1.00 0.00 H new ATOM 0 HA SER A -1 27.279 -2.778 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A -1 26.902 -0.750 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A -1 27.008 0.259 -9.311 1.00 0.00 H new ATOM 0 HG SER A -1 24.817 -0.289 -8.784 1.00 0.00 H new ATOM 19 N HIS A 0 27.486 -2.810 -11.827 1.00 0.00 N ATOM 20 CA HIS A 0 27.378 -2.836 -13.282 1.00 0.00 C ATOM 21 C HIS A 0 26.074 -2.191 -13.741 1.00 0.00 C ATOM 22 O HIS A 0 26.017 -1.570 -14.802 1.00 0.00 O ATOM 23 CB HIS A 0 27.458 -4.274 -13.795 1.00 0.00 C ATOM 24 CG HIS A 0 26.393 -5.168 -13.238 1.00 0.00 C ATOM 25 ND1 HIS A 0 26.483 -5.763 -11.997 1.00 0.00 N ATOM 26 CD2 HIS A 0 25.210 -5.567 -13.760 1.00 0.00 C ATOM 27 CE1 HIS A 0 25.402 -6.490 -11.781 1.00 0.00 C ATOM 28 NE2 HIS A 0 24.613 -6.388 -12.835 1.00 0.00 N ATOM 0 H HIS A 0 27.549 -3.730 -11.392 1.00 0.00 H new ATOM 0 HA HIS A 0 28.210 -2.265 -13.694 1.00 0.00 H new ATOM 0 HB2 HIS A 0 27.384 -4.268 -14.882 1.00 0.00 H new ATOM 0 HB3 HIS A 0 28.435 -4.687 -13.544 1.00 0.00 H new ATOM 0 HD2 HIS A 0 24.810 -5.291 -14.724 1.00 0.00 H new ATOM 0 HE1 HIS A 0 25.198 -7.070 -10.893 1.00 0.00 H new ATOM 0 HE2 HIS A 0 23.708 -6.845 -12.944 1.00 0.00 H new ATOM 36 N MET A 1 25.028 -2.344 -12.935 1.00 0.00 N ATOM 37 CA MET A 1 23.724 -1.776 -13.259 1.00 0.00 C ATOM 38 C MET A 1 23.720 -0.266 -13.044 1.00 0.00 C ATOM 39 O MET A 1 24.591 0.276 -12.362 1.00 0.00 O ATOM 40 CB MET A 1 22.634 -2.427 -12.406 1.00 0.00 C ATOM 41 CG MET A 1 22.201 -3.793 -12.913 1.00 0.00 C ATOM 42 SD MET A 1 20.509 -4.203 -12.443 1.00 0.00 S ATOM 43 CE MET A 1 19.636 -3.835 -13.963 1.00 0.00 C ATOM 0 H MET A 1 25.058 -2.856 -12.053 1.00 0.00 H new ATOM 0 HA MET A 1 23.520 -1.976 -14.311 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.996 -2.526 -11.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.766 -1.768 -12.375 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.289 -3.818 -13.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.877 -4.553 -12.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.573 -4.039 -13.831 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.775 -2.784 -14.217 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.028 -4.458 -14.767 1.00 0.00 H new ATOM 53 N SER A 2 22.736 0.409 -13.629 1.00 0.00 N ATOM 54 CA SER A 2 22.622 1.857 -13.505 1.00 0.00 C ATOM 55 C SER A 2 21.220 2.255 -13.052 1.00 0.00 C ATOM 56 O SER A 2 20.226 1.891 -13.680 1.00 0.00 O ATOM 57 CB SER A 2 22.949 2.532 -14.838 1.00 0.00 C ATOM 58 OG SER A 2 22.764 3.935 -14.759 1.00 0.00 O ATOM 0 H SER A 2 22.006 -0.024 -14.194 1.00 0.00 H new ATOM 0 HA SER A 2 23.337 2.189 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.980 2.313 -15.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.313 2.122 -15.622 1.00 0.00 H new ATOM 0 HG SER A 2 22.981 4.343 -15.623 1.00 0.00 H new ATOM 64 N HIS A 3 21.150 3.004 -11.956 1.00 0.00 N ATOM 65 CA HIS A 3 19.871 3.452 -11.417 1.00 0.00 C ATOM 66 C HIS A 3 19.857 4.967 -11.241 1.00 0.00 C ATOM 67 O HIS A 3 20.866 5.637 -11.460 1.00 0.00 O ATOM 68 CB HIS A 3 19.590 2.769 -10.078 1.00 0.00 C ATOM 69 CG HIS A 3 19.385 1.289 -10.192 1.00 0.00 C ATOM 70 ND1 HIS A 3 18.309 0.726 -10.844 1.00 0.00 N ATOM 71 CD2 HIS A 3 20.128 0.255 -9.734 1.00 0.00 C ATOM 72 CE1 HIS A 3 18.397 -0.590 -10.780 1.00 0.00 C ATOM 73 NE2 HIS A 3 19.493 -0.902 -10.112 1.00 0.00 N ATOM 0 H HIS A 3 21.964 3.313 -11.424 1.00 0.00 H new ATOM 0 HA HIS A 3 19.090 3.179 -12.127 1.00 0.00 H new ATOM 0 HB2 HIS A 3 20.421 2.961 -9.400 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.703 3.217 -9.630 1.00 0.00 H new ATOM 0 HD2 HIS A 3 21.049 0.327 -9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.693 -1.292 -11.202 1.00 0.00 H new ATOM 0 HE2 HIS A 3 19.815 -1.848 -9.910 1.00 0.00 H new ATOM 81 N ASP A 4 18.706 5.501 -10.845 1.00 0.00 N ATOM 82 CA ASP A 4 18.561 6.937 -10.640 1.00 0.00 C ATOM 83 C ASP A 4 17.799 7.227 -9.350 1.00 0.00 C ATOM 84 O ASP A 4 16.900 6.480 -8.967 1.00 0.00 O ATOM 85 CB ASP A 4 17.837 7.573 -11.828 1.00 0.00 C ATOM 86 CG ASP A 4 16.764 6.670 -12.403 1.00 0.00 C ATOM 87 OD1 ASP A 4 17.096 5.829 -13.264 1.00 0.00 O ATOM 88 OD2 ASP A 4 15.592 6.806 -11.993 1.00 0.00 O ATOM 0 H ASP A 4 17.861 4.961 -10.660 1.00 0.00 H new ATOM 0 HA ASP A 4 19.558 7.370 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.386 8.514 -11.513 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.562 7.812 -12.606 1.00 0.00 H new ATOM 93 N GLY A 5 18.167 8.318 -8.684 1.00 0.00 N ATOM 94 CA GLY A 5 17.509 8.686 -7.444 1.00 0.00 C ATOM 95 C GLY A 5 18.217 9.818 -6.726 1.00 0.00 C ATOM 96 O GLY A 5 19.447 9.885 -6.717 1.00 0.00 O ATOM 0 H GLY A 5 18.908 8.953 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 5 16.481 8.980 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 5 17.463 7.816 -6.789 1.00 0.00 H new ATOM 100 N LYS A 6 17.441 10.712 -6.123 1.00 0.00 N ATOM 101 CA LYS A 6 18.000 11.847 -5.399 1.00 0.00 C ATOM 102 C LYS A 6 17.256 12.076 -4.088 1.00 0.00 C ATOM 103 O LYS A 6 16.029 12.002 -4.040 1.00 0.00 O ATOM 104 CB LYS A 6 17.937 13.110 -6.261 1.00 0.00 C ATOM 105 CG LYS A 6 16.522 13.531 -6.620 1.00 0.00 C ATOM 106 CD LYS A 6 16.516 14.631 -7.668 1.00 0.00 C ATOM 107 CE LYS A 6 15.133 15.243 -7.826 1.00 0.00 C ATOM 108 NZ LYS A 6 14.231 14.374 -8.631 1.00 0.00 N ATOM 0 H LYS A 6 16.422 10.672 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 6 19.042 11.622 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.427 13.927 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.501 12.942 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.969 12.669 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.006 13.878 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.228 15.407 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.847 14.226 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.695 15.409 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.220 16.218 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.298 14.826 -8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.636 14.236 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.127 13.452 -8.161 1.00 0.00 H new ATOM 122 N GLU A 7 18.007 12.357 -3.027 1.00 0.00 N ATOM 123 CA GLU A 7 17.416 12.598 -1.716 1.00 0.00 C ATOM 124 C GLU A 7 18.160 13.709 -0.980 1.00 0.00 C ATOM 125 O GLU A 7 19.386 13.791 -1.037 1.00 0.00 O ATOM 126 CB GLU A 7 17.434 11.316 -0.881 1.00 0.00 C ATOM 127 CG GLU A 7 16.483 11.348 0.304 1.00 0.00 C ATOM 128 CD GLU A 7 16.315 9.989 0.954 1.00 0.00 C ATOM 129 OE1 GLU A 7 17.176 9.614 1.778 1.00 0.00 O ATOM 130 OE2 GLU A 7 15.323 9.299 0.638 1.00 0.00 O ATOM 0 H GLU A 7 19.025 12.423 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 7 16.383 12.912 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.176 10.472 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.447 11.143 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.854 12.057 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.510 11.712 -0.026 1.00 0.00 H new ATOM 137 N GLU A 8 17.408 14.560 -0.289 1.00 0.00 N ATOM 138 CA GLU A 8 17.996 15.666 0.457 1.00 0.00 C ATOM 139 C GLU A 8 17.421 15.737 1.869 1.00 0.00 C ATOM 140 O GLU A 8 16.356 15.193 2.160 1.00 0.00 O ATOM 141 CB GLU A 8 17.751 16.989 -0.272 1.00 0.00 C ATOM 142 CG GLU A 8 18.819 17.326 -1.299 1.00 0.00 C ATOM 143 CD GLU A 8 20.211 17.371 -0.699 1.00 0.00 C ATOM 144 OE1 GLU A 8 20.877 16.316 -0.663 1.00 0.00 O ATOM 145 OE2 GLU A 8 20.634 18.464 -0.266 1.00 0.00 O ATOM 0 H GLU A 8 16.391 14.505 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 8 19.070 15.492 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.782 16.946 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.698 17.794 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.796 16.585 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.591 18.291 -1.752 1.00 0.00 H new ATOM 152 N PRO A 9 18.144 16.422 2.767 1.00 0.00 N ATOM 153 CA PRO A 9 17.726 16.580 4.163 1.00 0.00 C ATOM 154 C PRO A 9 16.508 17.487 4.305 1.00 0.00 C ATOM 155 O PRO A 9 16.052 18.086 3.333 1.00 0.00 O ATOM 156 CB PRO A 9 18.948 17.219 4.829 1.00 0.00 C ATOM 157 CG PRO A 9 19.657 17.923 3.724 1.00 0.00 C ATOM 158 CD PRO A 9 19.423 17.096 2.489 1.00 0.00 C ATOM 0 HA PRO A 9 17.427 15.631 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.652 17.913 5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.586 16.466 5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.272 18.935 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.722 18.012 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.364 17.717 1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.228 16.379 2.327 1.00 0.00 H new ATOM 166 N GLY A 10 15.986 17.583 5.524 1.00 0.00 N ATOM 167 CA GLY A 10 14.825 18.419 5.770 1.00 0.00 C ATOM 168 C GLY A 10 13.529 17.633 5.745 1.00 0.00 C ATOM 169 O GLY A 10 13.030 17.282 4.676 1.00 0.00 O ATOM 0 H GLY A 10 16.346 17.097 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.931 18.907 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.783 19.207 5.018 1.00 0.00 H new ATOM 173 N ILE A 11 12.985 17.356 6.925 1.00 0.00 N ATOM 174 CA ILE A 11 11.739 16.606 7.033 1.00 0.00 C ATOM 175 C ILE A 11 10.555 17.538 7.268 1.00 0.00 C ATOM 176 O ILE A 11 10.474 18.208 8.297 1.00 0.00 O ATOM 177 CB ILE A 11 11.800 15.574 8.175 1.00 0.00 C ATOM 178 CG1 ILE A 11 13.073 14.733 8.064 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.567 14.684 8.151 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.252 15.319 8.809 1.00 0.00 C ATOM 0 H ILE A 11 13.387 17.639 7.819 1.00 0.00 H new ATOM 0 HA ILE A 11 11.604 16.081 6.087 1.00 0.00 H new ATOM 0 HB ILE A 11 11.821 16.107 9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.872 13.733 8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.336 14.624 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.625 13.960 8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.674 15.296 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.517 14.157 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.119 14.670 8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.479 16.308 8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.008 15.402 9.868 1.00 0.00 H new ATOM 192 N ALA A 12 9.638 17.574 6.307 1.00 0.00 N ATOM 193 CA ALA A 12 8.456 18.421 6.411 1.00 0.00 C ATOM 194 C ALA A 12 7.213 17.593 6.723 1.00 0.00 C ATOM 195 O ALA A 12 6.839 16.704 5.958 1.00 0.00 O ATOM 196 CB ALA A 12 8.258 19.210 5.126 1.00 0.00 C ATOM 0 H ALA A 12 9.691 17.027 5.448 1.00 0.00 H new ATOM 0 HA ALA A 12 8.611 19.120 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.372 19.838 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.131 19.838 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.129 18.520 4.292 1.00 0.00 H new ATOM 202 N LYS A 13 6.577 17.891 7.851 1.00 0.00 N ATOM 203 CA LYS A 13 5.376 17.175 8.264 1.00 0.00 C ATOM 204 C LYS A 13 4.348 18.134 8.855 1.00 0.00 C ATOM 205 O LYS A 13 4.703 19.138 9.473 1.00 0.00 O ATOM 206 CB LYS A 13 5.729 16.094 9.288 1.00 0.00 C ATOM 207 CG LYS A 13 6.051 16.643 10.667 1.00 0.00 C ATOM 208 CD LYS A 13 6.379 15.531 11.648 1.00 0.00 C ATOM 209 CE LYS A 13 7.782 14.988 11.427 1.00 0.00 C ATOM 210 NZ LYS A 13 8.423 14.570 12.704 1.00 0.00 N ATOM 0 H LYS A 13 6.874 18.624 8.496 1.00 0.00 H new ATOM 0 HA LYS A 13 4.942 16.703 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.895 15.397 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.585 15.526 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.895 17.329 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.202 17.218 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.289 15.906 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.654 14.724 11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.739 14.137 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.395 15.750 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.378 14.206 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.487 15.387 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.852 13.824 13.151 1.00 0.00 H new ATOM 224 N LYS A 14 3.072 17.818 8.664 1.00 0.00 N ATOM 225 CA LYS A 14 1.991 18.649 9.181 1.00 0.00 C ATOM 226 C LYS A 14 1.430 18.069 10.475 1.00 0.00 C ATOM 227 O LYS A 14 0.863 16.976 10.482 1.00 0.00 O ATOM 228 CB LYS A 14 0.876 18.776 8.141 1.00 0.00 C ATOM 229 CG LYS A 14 1.175 19.787 7.048 1.00 0.00 C ATOM 230 CD LYS A 14 0.320 19.546 5.815 1.00 0.00 C ATOM 231 CE LYS A 14 -1.127 19.947 6.054 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.904 18.857 6.707 1.00 0.00 N ATOM 0 H LYS A 14 2.761 16.991 8.154 1.00 0.00 H new ATOM 0 HA LYS A 14 2.396 19.638 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.703 17.801 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.048 19.061 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.996 20.794 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.229 19.730 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.722 20.113 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.366 18.492 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.158 20.840 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.594 20.207 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.843 18.787 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.399 17.955 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.013 19.067 7.720 1.00 0.00 H new ATOM 246 N ILE A 15 1.590 18.809 11.568 1.00 0.00 N ATOM 247 CA ILE A 15 1.097 18.369 12.867 1.00 0.00 C ATOM 248 C ILE A 15 -0.156 19.139 13.269 1.00 0.00 C ATOM 249 O ILE A 15 -0.604 20.034 12.552 1.00 0.00 O ATOM 250 CB ILE A 15 2.165 18.541 13.962 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.596 20.006 14.060 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.364 17.648 13.678 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.197 20.371 15.399 1.00 0.00 C ATOM 0 H ILE A 15 2.057 19.716 11.579 1.00 0.00 H new ATOM 0 HA ILE A 15 0.855 17.311 12.771 1.00 0.00 H new ATOM 0 HB ILE A 15 1.734 18.244 14.918 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.323 20.216 13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.732 20.644 13.873 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.110 17.781 14.461 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.044 16.606 13.655 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.797 17.916 12.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.479 21.424 15.396 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.465 20.194 16.187 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.081 19.759 15.580 1.00 0.00 H new ATOM 265 N ASN A 16 -0.718 18.786 14.421 1.00 0.00 N ATOM 266 CA ASN A 16 -1.919 19.446 14.919 1.00 0.00 C ATOM 267 C ASN A 16 -1.835 19.660 16.427 1.00 0.00 C ATOM 268 O ASN A 16 -2.839 19.948 17.080 1.00 0.00 O ATOM 269 CB ASN A 16 -3.159 18.617 14.579 1.00 0.00 C ATOM 270 CG ASN A 16 -3.164 17.270 15.276 1.00 0.00 C ATOM 271 OD1 ASN A 16 -2.676 16.277 14.736 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.718 17.231 16.482 1.00 0.00 N ATOM 0 H ASN A 16 -0.361 18.047 15.027 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.997 20.420 14.435 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.053 19.173 14.862 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.206 18.465 13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.751 16.353 17.000 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.110 18.079 16.891 1.00 0.00 H new ATOM 279 N SER A 17 -0.632 19.519 16.974 1.00 0.00 N ATOM 280 CA SER A 17 -0.417 19.694 18.406 1.00 0.00 C ATOM 281 C SER A 17 0.891 20.432 18.672 1.00 0.00 C ATOM 282 O SER A 17 1.902 20.185 18.014 1.00 0.00 O ATOM 283 CB SER A 17 -0.404 18.337 19.111 1.00 0.00 C ATOM 284 OG SER A 17 -1.502 17.539 18.702 1.00 0.00 O ATOM 0 H SER A 17 0.209 19.284 16.447 1.00 0.00 H new ATOM 0 HA SER A 17 -1.238 20.292 18.802 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.529 17.818 18.890 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.439 18.484 20.190 1.00 0.00 H new ATOM 0 HG SER A 17 -1.470 16.676 19.166 1.00 0.00 H new ATOM 290 N VAL A 18 0.865 21.339 19.644 1.00 0.00 N ATOM 291 CA VAL A 18 2.048 22.112 20.000 1.00 0.00 C ATOM 292 C VAL A 18 2.996 21.297 20.872 1.00 0.00 C ATOM 293 O VAL A 18 4.166 21.646 21.031 1.00 0.00 O ATOM 294 CB VAL A 18 1.670 23.407 20.743 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.684 24.225 19.923 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.097 23.085 22.115 1.00 0.00 C ATOM 0 H VAL A 18 0.037 21.556 20.199 1.00 0.00 H new ATOM 0 HA VAL A 18 2.549 22.370 19.067 1.00 0.00 H new ATOM 0 HB VAL A 18 2.572 24.003 20.882 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.429 25.136 20.464 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.135 24.486 18.966 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.219 23.640 19.751 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.835 24.011 22.626 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.205 22.469 22.001 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.840 22.544 22.702 1.00 0.00 H new ATOM 306 N ASP A 19 2.483 20.209 21.436 1.00 0.00 N ATOM 307 CA ASP A 19 3.284 19.341 22.292 1.00 0.00 C ATOM 308 C ASP A 19 4.448 18.734 21.514 1.00 0.00 C ATOM 309 O ASP A 19 5.553 18.595 22.039 1.00 0.00 O ATOM 310 CB ASP A 19 2.416 18.230 22.884 1.00 0.00 C ATOM 311 CG ASP A 19 1.530 18.726 24.011 1.00 0.00 C ATOM 312 OD1 ASP A 19 1.040 19.871 23.920 1.00 0.00 O ATOM 313 OD2 ASP A 19 1.328 17.969 24.983 1.00 0.00 O ATOM 0 H ASP A 19 1.516 19.907 21.316 1.00 0.00 H new ATOM 0 HA ASP A 19 3.689 19.946 23.103 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.794 17.801 22.098 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.057 17.430 23.255 1.00 0.00 H new ATOM 318 N ASP A 20 4.191 18.374 20.261 1.00 0.00 N ATOM 319 CA ASP A 20 5.217 17.781 19.411 1.00 0.00 C ATOM 320 C ASP A 20 6.093 18.861 18.784 1.00 0.00 C ATOM 321 O ASP A 20 6.230 18.931 17.562 1.00 0.00 O ATOM 322 CB ASP A 20 4.572 16.931 18.315 1.00 0.00 C ATOM 323 CG ASP A 20 4.243 15.529 18.789 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.087 14.924 19.482 1.00 0.00 O ATOM 325 OD2 ASP A 20 3.141 15.036 18.466 1.00 0.00 O ATOM 0 H ASP A 20 3.282 18.482 19.812 1.00 0.00 H new ATOM 0 HA ASP A 20 5.846 17.143 20.032 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.660 17.418 17.970 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.245 16.874 17.460 1.00 0.00 H new ATOM 330 N ILE A 21 6.682 19.701 19.628 1.00 0.00 N ATOM 331 CA ILE A 21 7.545 20.777 19.156 1.00 0.00 C ATOM 332 C ILE A 21 8.898 20.745 19.859 1.00 0.00 C ATOM 333 O ILE A 21 8.983 20.446 21.051 1.00 0.00 O ATOM 334 CB ILE A 21 6.897 22.157 19.377 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.592 22.264 18.586 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.859 23.265 18.975 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.852 23.564 18.813 1.00 0.00 C ATOM 0 H ILE A 21 6.578 19.657 20.642 1.00 0.00 H new ATOM 0 HA ILE A 21 7.689 20.620 18.087 1.00 0.00 H new ATOM 0 HB ILE A 21 6.668 22.269 20.437 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.811 22.161 17.523 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.942 21.433 18.859 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.386 24.234 19.137 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.764 23.197 19.578 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.116 23.159 17.921 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.937 23.570 18.221 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.601 23.660 19.869 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.484 24.400 18.513 1.00 0.00 H new ATOM 349 N ILE A 22 9.953 21.058 19.115 1.00 0.00 N ATOM 350 CA ILE A 22 11.302 21.068 19.667 1.00 0.00 C ATOM 351 C ILE A 22 12.029 22.362 19.318 1.00 0.00 C ATOM 352 O ILE A 22 11.465 23.250 18.678 1.00 0.00 O ATOM 353 CB ILE A 22 12.128 19.873 19.156 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.028 19.770 17.633 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.657 18.584 19.812 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.058 18.847 17.021 1.00 0.00 C ATOM 0 H ILE A 22 9.900 21.308 18.128 1.00 0.00 H new ATOM 0 HA ILE A 22 11.201 20.992 20.750 1.00 0.00 H new ATOM 0 HB ILE A 22 13.173 20.032 19.423 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.032 19.418 17.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.141 20.765 17.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.251 17.749 19.440 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.776 18.661 20.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.607 18.417 19.574 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.928 18.823 15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.058 19.210 17.258 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.932 17.842 17.424 1.00 0.00 H new ATOM 368 N ILE A 23 13.285 22.461 19.742 1.00 0.00 N ATOM 369 CA ILE A 23 14.091 23.645 19.471 1.00 0.00 C ATOM 370 C ILE A 23 14.481 23.720 17.999 1.00 0.00 C ATOM 371 O ILE A 23 14.636 24.806 17.441 1.00 0.00 O ATOM 372 CB ILE A 23 15.368 23.665 20.331 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.009 23.758 21.816 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.263 24.826 19.924 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.728 22.416 22.454 1.00 0.00 C ATOM 0 H ILE A 23 13.766 21.736 20.274 1.00 0.00 H new ATOM 0 HA ILE A 23 13.478 24.509 19.726 1.00 0.00 H new ATOM 0 HB ILE A 23 15.913 22.736 20.166 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.827 24.241 22.350 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.133 24.396 21.931 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.161 24.826 20.541 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.543 24.720 18.876 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.727 25.765 20.063 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.481 22.558 23.506 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.890 21.940 21.945 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.611 21.782 22.371 1.00 0.00 H new ATOM 387 N LYS A 24 14.637 22.558 17.374 1.00 0.00 N ATOM 388 CA LYS A 24 15.005 22.489 15.965 1.00 0.00 C ATOM 389 C LYS A 24 13.766 22.510 15.077 1.00 0.00 C ATOM 390 O LYS A 24 13.864 22.381 13.856 1.00 0.00 O ATOM 391 CB LYS A 24 15.822 21.224 15.691 1.00 0.00 C ATOM 392 CG LYS A 24 17.005 21.049 16.628 1.00 0.00 C ATOM 393 CD LYS A 24 18.031 22.154 16.443 1.00 0.00 C ATOM 394 CE LYS A 24 18.917 21.895 15.234 1.00 0.00 C ATOM 395 NZ LYS A 24 19.505 23.154 14.697 1.00 0.00 N ATOM 0 H LYS A 24 14.514 21.650 17.822 1.00 0.00 H new ATOM 0 HA LYS A 24 15.612 23.363 15.731 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.170 20.355 15.776 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.184 21.251 14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.655 21.045 17.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.474 20.082 16.447 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.521 23.110 16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.648 22.232 17.338 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.718 21.209 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.333 21.405 14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.102 22.935 13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.741 23.799 14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.083 23.609 15.433 1.00 0.00 H new ATOM 409 N CYS A 25 12.602 22.673 15.696 1.00 0.00 N ATOM 410 CA CYS A 25 11.343 22.710 14.961 1.00 0.00 C ATOM 411 C CYS A 25 11.037 24.125 14.480 1.00 0.00 C ATOM 412 O CYS A 25 11.253 25.096 15.203 1.00 0.00 O ATOM 413 CB CYS A 25 10.200 22.198 15.839 1.00 0.00 C ATOM 414 SG CYS A 25 8.552 22.530 15.173 1.00 0.00 S ATOM 0 H CYS A 25 12.504 22.782 16.705 1.00 0.00 H new ATOM 0 HA CYS A 25 11.440 22.062 14.090 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.315 21.123 15.976 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.281 22.655 16.825 1.00 0.00 H new ATOM 0 HG CYS A 25 7.653 22.058 15.984 1.00 0.00 H new ATOM 420 N GLN A 26 10.533 24.231 13.254 1.00 0.00 N ATOM 421 CA GLN A 26 10.200 25.527 12.676 1.00 0.00 C ATOM 422 C GLN A 26 8.750 25.555 12.202 1.00 0.00 C ATOM 423 O GLN A 26 8.311 24.671 11.465 1.00 0.00 O ATOM 424 CB GLN A 26 11.136 25.845 11.509 1.00 0.00 C ATOM 425 CG GLN A 26 12.606 25.872 11.898 1.00 0.00 C ATOM 426 CD GLN A 26 13.520 26.097 10.711 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.311 27.015 9.917 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.542 25.258 10.582 1.00 0.00 N ATOM 0 H GLN A 26 10.347 23.436 12.643 1.00 0.00 H new ATOM 0 HA GLN A 26 10.326 26.284 13.450 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.990 25.103 10.724 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.862 26.812 11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.769 26.661 12.632 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.868 24.930 12.380 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.678 24.511 11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.191 25.361 9.802 1.00 0.00 H new ATOM 437 N CYS A 27 8.013 26.574 12.629 1.00 0.00 N ATOM 438 CA CYS A 27 6.612 26.716 12.249 1.00 0.00 C ATOM 439 C CYS A 27 6.316 28.139 11.785 1.00 0.00 C ATOM 440 O CYS A 27 7.228 28.947 11.611 1.00 0.00 O ATOM 441 CB CYS A 27 5.704 26.350 13.424 1.00 0.00 C ATOM 442 SG CYS A 27 5.849 27.462 14.842 1.00 0.00 S ATOM 0 H CYS A 27 8.362 27.314 13.238 1.00 0.00 H new ATOM 0 HA CYS A 27 6.415 26.035 11.421 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.669 26.347 13.082 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.936 25.335 13.746 1.00 0.00 H new ATOM 0 HG CYS A 27 5.041 27.072 15.783 1.00 0.00 H new ATOM 448 N TRP A 28 5.037 28.436 11.585 1.00 0.00 N ATOM 449 CA TRP A 28 4.621 29.761 11.140 1.00 0.00 C ATOM 450 C TRP A 28 3.788 30.458 12.209 1.00 0.00 C ATOM 451 O TRP A 28 2.899 29.854 12.810 1.00 0.00 O ATOM 452 CB TRP A 28 3.822 29.657 9.840 1.00 0.00 C ATOM 453 CG TRP A 28 4.673 29.371 8.640 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.123 28.149 8.227 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.178 30.325 7.701 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.877 28.287 7.087 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.926 29.612 6.743 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.071 31.713 7.574 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.561 30.241 5.676 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.702 32.336 6.514 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.439 31.601 5.576 1.00 0.00 C ATOM 0 H TRP A 28 4.270 27.778 11.724 1.00 0.00 H new ATOM 0 HA TRP A 28 5.517 30.355 10.961 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.076 28.869 9.943 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.281 30.590 9.679 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.916 27.212 8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.328 27.526 6.579 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.505 32.288 8.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.130 29.676 4.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.626 33.408 6.407 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.920 32.117 4.758 1.00 0.00 H new ATOM 472 N VAL A 29 4.080 31.734 12.443 1.00 0.00 N ATOM 473 CA VAL A 29 3.356 32.514 13.440 1.00 0.00 C ATOM 474 C VAL A 29 2.568 33.644 12.787 1.00 0.00 C ATOM 475 O VAL A 29 3.031 34.264 11.830 1.00 0.00 O ATOM 476 CB VAL A 29 4.313 33.109 14.490 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.535 33.883 15.543 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.149 32.012 15.131 1.00 0.00 C ATOM 0 H VAL A 29 4.813 32.249 11.956 1.00 0.00 H new ATOM 0 HA VAL A 29 2.665 31.832 13.935 1.00 0.00 H new ATOM 0 HB VAL A 29 4.989 33.803 13.989 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.227 34.296 16.276 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.985 34.694 15.066 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.834 33.214 16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.819 32.450 15.870 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.492 31.292 15.619 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.736 31.506 14.364 1.00 0.00 H new ATOM 488 N GLN A 30 1.375 33.906 13.312 1.00 0.00 N ATOM 489 CA GLN A 30 0.523 34.962 12.779 1.00 0.00 C ATOM 490 C GLN A 30 0.886 36.313 13.386 1.00 0.00 C ATOM 491 O GLN A 30 0.757 36.519 14.593 1.00 0.00 O ATOM 492 CB GLN A 30 -0.949 34.646 13.054 1.00 0.00 C ATOM 493 CG GLN A 30 -1.906 35.309 12.077 1.00 0.00 C ATOM 494 CD GLN A 30 -3.294 35.497 12.656 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.879 36.576 12.560 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.830 34.444 13.263 1.00 0.00 N ATOM 0 H GLN A 30 0.977 33.402 14.105 1.00 0.00 H new ATOM 0 HA GLN A 30 0.682 35.013 11.702 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.094 33.566 13.015 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.198 34.965 14.066 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.505 36.279 11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.973 34.704 11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.310 33.569 13.320 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.762 34.511 13.672 1.00 0.00 H new ATOM 505 N LYS A 31 1.343 37.232 12.542 1.00 0.00 N ATOM 506 CA LYS A 31 1.725 38.565 12.994 1.00 0.00 C ATOM 507 C LYS A 31 1.342 39.620 11.961 1.00 0.00 C ATOM 508 O LYS A 31 1.545 39.431 10.762 1.00 0.00 O ATOM 509 CB LYS A 31 3.231 38.622 13.263 1.00 0.00 C ATOM 510 CG LYS A 31 3.634 38.017 14.597 1.00 0.00 C ATOM 511 CD LYS A 31 3.410 38.992 15.741 1.00 0.00 C ATOM 512 CE LYS A 31 4.540 40.005 15.839 1.00 0.00 C ATOM 513 NZ LYS A 31 4.172 41.165 16.696 1.00 0.00 N ATOM 0 H LYS A 31 1.458 37.078 11.540 1.00 0.00 H new ATOM 0 HA LYS A 31 1.188 38.776 13.919 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.755 38.098 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.558 39.661 13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.059 37.108 14.774 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.684 37.728 14.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.464 39.514 15.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.330 38.442 16.679 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.428 39.520 16.245 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.798 40.358 14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.968 41.833 16.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.340 41.643 16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.950 40.831 17.656 1.00 0.00 H new ATOM 527 N ASN A 32 0.789 40.732 12.435 1.00 0.00 N ATOM 528 CA ASN A 32 0.379 41.818 11.552 1.00 0.00 C ATOM 529 C ASN A 32 -0.547 41.305 10.453 1.00 0.00 C ATOM 530 O ASN A 32 -0.329 41.568 9.271 1.00 0.00 O ATOM 531 CB ASN A 32 1.606 42.487 10.929 1.00 0.00 C ATOM 532 CG ASN A 32 2.554 43.043 11.974 1.00 0.00 C ATOM 533 OD1 ASN A 32 3.729 42.677 12.019 1.00 0.00 O ATOM 534 ND2 ASN A 32 2.047 43.932 12.821 1.00 0.00 N ATOM 0 H ASN A 32 0.615 40.905 13.425 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.164 42.552 12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.136 41.763 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.282 43.293 10.271 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.637 44.340 13.546 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.067 44.206 12.747 1.00 0.00 H new ATOM 541 N ASP A 33 -1.581 40.573 10.853 1.00 0.00 N ATOM 542 CA ASP A 33 -2.542 40.025 9.903 1.00 0.00 C ATOM 543 C ASP A 33 -1.832 39.249 8.798 1.00 0.00 C ATOM 544 O ASP A 33 -2.338 39.138 7.682 1.00 0.00 O ATOM 545 CB ASP A 33 -3.387 41.145 9.295 1.00 0.00 C ATOM 546 CG ASP A 33 -4.666 40.630 8.666 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.878 39.400 8.676 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.455 41.457 8.163 1.00 0.00 O ATOM 0 H ASP A 33 -1.775 40.346 11.828 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.196 39.339 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.634 41.871 10.070 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.801 41.670 8.541 1.00 0.00 H new ATOM 553 N GLU A 34 -0.657 38.716 9.117 1.00 0.00 N ATOM 554 CA GLU A 34 0.123 37.952 8.150 1.00 0.00 C ATOM 555 C GLU A 34 0.768 36.737 8.809 1.00 0.00 C ATOM 556 O GLU A 34 0.595 36.502 10.005 1.00 0.00 O ATOM 557 CB GLU A 34 1.201 38.837 7.519 1.00 0.00 C ATOM 558 CG GLU A 34 0.662 39.802 6.477 1.00 0.00 C ATOM 559 CD GLU A 34 0.659 39.212 5.081 1.00 0.00 C ATOM 560 OE1 GLU A 34 1.550 38.389 4.782 1.00 0.00 O ATOM 561 OE2 GLU A 34 -0.235 39.572 4.287 1.00 0.00 O ATOM 0 H GLU A 34 -0.224 38.799 10.037 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.554 37.603 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.699 39.405 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.957 38.202 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.353 40.092 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.265 40.710 6.482 1.00 0.00 H new ATOM 568 N GLU A 35 1.512 35.968 8.020 1.00 0.00 N ATOM 569 CA GLU A 35 2.182 34.776 8.527 1.00 0.00 C ATOM 570 C GLU A 35 3.677 34.821 8.222 1.00 0.00 C ATOM 571 O GLU A 35 4.081 34.970 7.069 1.00 0.00 O ATOM 572 CB GLU A 35 1.563 33.517 7.916 1.00 0.00 C ATOM 573 CG GLU A 35 1.473 33.558 6.400 1.00 0.00 C ATOM 574 CD GLU A 35 0.047 33.439 5.896 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.635 32.463 6.274 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.386 34.321 5.126 1.00 0.00 O ATOM 0 H GLU A 35 1.666 36.149 7.028 1.00 0.00 H new ATOM 0 HA GLU A 35 2.050 34.748 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.154 32.651 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.563 33.377 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.905 34.491 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.071 32.748 5.982 1.00 0.00 H new ATOM 583 N ARG A 36 4.491 34.691 9.264 1.00 0.00 N ATOM 584 CA ARG A 36 5.941 34.718 9.108 1.00 0.00 C ATOM 585 C ARG A 36 6.571 33.442 9.659 1.00 0.00 C ATOM 586 O ARG A 36 6.181 32.952 10.719 1.00 0.00 O ATOM 587 CB ARG A 36 6.528 35.938 9.820 1.00 0.00 C ATOM 588 CG ARG A 36 6.247 37.252 9.110 1.00 0.00 C ATOM 589 CD ARG A 36 4.968 37.898 9.620 1.00 0.00 C ATOM 590 NE ARG A 36 4.625 39.101 8.867 1.00 0.00 N ATOM 591 CZ ARG A 36 5.250 40.264 9.014 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.246 40.380 9.881 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.879 41.314 8.292 1.00 0.00 N ATOM 0 H ARG A 36 4.172 34.566 10.225 1.00 0.00 H new ATOM 0 HA ARG A 36 6.166 34.783 8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.123 35.987 10.831 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.606 35.809 9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.085 37.934 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.165 37.077 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.149 37.182 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.085 38.151 10.674 1.00 0.00 H new ATOM 0 HE ARG A 36 3.863 39.045 8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.534 39.575 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.724 41.274 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.113 41.228 7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.359 42.207 8.406 1.00 0.00 H new ATOM 607 N LEU A 37 7.545 32.908 8.931 1.00 0.00 N ATOM 608 CA LEU A 37 8.230 31.689 9.346 1.00 0.00 C ATOM 609 C LEU A 37 9.017 31.916 10.632 1.00 0.00 C ATOM 610 O LEU A 37 10.041 32.599 10.632 1.00 0.00 O ATOM 611 CB LEU A 37 9.168 31.205 8.239 1.00 0.00 C ATOM 612 CG LEU A 37 9.747 29.801 8.415 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.828 28.763 7.791 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.139 29.718 7.807 1.00 0.00 C ATOM 0 H LEU A 37 7.878 33.300 8.050 1.00 0.00 H new ATOM 0 HA LEU A 37 7.476 30.925 9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.628 31.237 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.995 31.910 8.158 1.00 0.00 H new ATOM 0 HG LEU A 37 9.826 29.592 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.256 27.770 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.851 28.805 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.717 28.969 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.535 28.712 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.085 29.948 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.795 30.435 8.300 1.00 0.00 H new ATOM 626 N ALA A 38 8.532 31.339 11.726 1.00 0.00 N ATOM 627 CA ALA A 38 9.193 31.475 13.019 1.00 0.00 C ATOM 628 C ALA A 38 9.862 30.169 13.434 1.00 0.00 C ATOM 629 O ALA A 38 9.249 29.103 13.378 1.00 0.00 O ATOM 630 CB ALA A 38 8.195 31.920 14.077 1.00 0.00 C ATOM 0 H ALA A 38 7.684 30.773 11.743 1.00 0.00 H new ATOM 0 HA ALA A 38 9.969 32.235 12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.702 32.017 15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.768 32.882 13.793 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.399 31.180 14.160 1.00 0.00 H new ATOM 636 N GLU A 39 11.121 30.260 13.850 1.00 0.00 N ATOM 637 CA GLU A 39 11.872 29.084 14.273 1.00 0.00 C ATOM 638 C GLU A 39 11.899 28.975 15.794 1.00 0.00 C ATOM 639 O GLU A 39 12.210 29.941 16.491 1.00 0.00 O ATOM 640 CB GLU A 39 13.301 29.142 13.729 1.00 0.00 C ATOM 641 CG GLU A 39 14.214 28.071 14.302 1.00 0.00 C ATOM 642 CD GLU A 39 15.431 27.815 13.434 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.448 28.297 12.282 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.365 27.135 13.907 1.00 0.00 O ATOM 0 H GLU A 39 11.642 31.135 13.903 1.00 0.00 H new ATOM 0 HA GLU A 39 11.374 28.202 13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.272 29.041 12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.724 30.123 13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.540 28.371 15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.653 27.144 14.416 1.00 0.00 H new ATOM 651 N ILE A 40 11.571 27.791 16.302 1.00 0.00 N ATOM 652 CA ILE A 40 11.559 27.555 17.740 1.00 0.00 C ATOM 653 C ILE A 40 12.958 27.688 18.332 1.00 0.00 C ATOM 654 O ILE A 40 13.945 27.280 17.719 1.00 0.00 O ATOM 655 CB ILE A 40 11.002 26.158 18.076 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.605 25.985 17.478 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.969 25.950 19.583 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.568 26.902 18.088 1.00 0.00 C ATOM 0 H ILE A 40 11.310 26.981 15.739 1.00 0.00 H new ATOM 0 HA ILE A 40 10.909 28.312 18.178 1.00 0.00 H new ATOM 0 HB ILE A 40 11.659 25.406 17.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.653 26.168 16.405 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.287 24.951 17.611 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.573 24.959 19.805 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.979 26.036 19.984 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.331 26.706 20.041 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.602 26.724 17.616 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.491 26.704 19.157 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.863 27.940 17.931 1.00 0.00 H new ATOM 670 N LEU A 41 13.036 28.261 19.528 1.00 0.00 N ATOM 671 CA LEU A 41 14.315 28.447 20.205 1.00 0.00 C ATOM 672 C LEU A 41 14.347 27.686 21.527 1.00 0.00 C ATOM 673 O LEU A 41 15.400 27.223 21.963 1.00 0.00 O ATOM 674 CB LEU A 41 14.571 29.934 20.453 1.00 0.00 C ATOM 675 CG LEU A 41 15.067 30.739 19.251 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.260 32.199 19.629 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.363 30.150 18.713 1.00 0.00 C ATOM 0 H LEU A 41 12.229 28.605 20.049 1.00 0.00 H new ATOM 0 HA LEU A 41 15.100 28.052 19.561 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.646 30.387 20.812 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.303 30.027 21.255 1.00 0.00 H new ATOM 0 HG LEU A 41 14.313 30.685 18.466 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.613 32.756 18.761 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.311 32.616 19.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.994 32.273 20.431 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.701 30.735 17.858 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.124 30.173 19.493 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.193 29.119 18.402 1.00 0.00 H new ATOM 689 N SER A 42 13.184 27.560 22.159 1.00 0.00 N ATOM 690 CA SER A 42 13.079 26.857 23.432 1.00 0.00 C ATOM 691 C SER A 42 11.618 26.617 23.801 1.00 0.00 C ATOM 692 O SER A 42 10.711 27.178 23.186 1.00 0.00 O ATOM 693 CB SER A 42 13.771 27.655 24.539 1.00 0.00 C ATOM 694 OG SER A 42 14.631 26.827 25.303 1.00 0.00 O ATOM 0 H SER A 42 12.302 27.935 21.810 1.00 0.00 H new ATOM 0 HA SER A 42 13.573 25.891 23.327 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.343 28.472 24.099 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.022 28.105 25.190 1.00 0.00 H new ATOM 0 HG SER A 42 15.062 27.361 26.003 1.00 0.00 H new ATOM 700 N ILE A 43 11.399 25.778 24.809 1.00 0.00 N ATOM 701 CA ILE A 43 10.049 25.464 25.260 1.00 0.00 C ATOM 702 C ILE A 43 9.877 25.786 26.741 1.00 0.00 C ATOM 703 O ILE A 43 10.800 25.614 27.536 1.00 0.00 O ATOM 704 CB ILE A 43 9.708 23.981 25.025 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.932 23.610 23.558 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.271 23.697 25.436 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.753 22.135 23.274 1.00 0.00 C ATOM 0 H ILE A 43 12.138 25.304 25.328 1.00 0.00 H new ATOM 0 HA ILE A 43 9.368 26.081 24.674 1.00 0.00 H new ATOM 0 HB ILE A 43 10.369 23.369 25.639 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.238 24.178 22.938 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.939 23.909 23.266 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.045 22.645 25.264 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.143 23.928 26.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.595 24.315 24.845 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.927 21.945 22.215 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.465 21.561 23.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.738 21.835 23.535 1.00 0.00 H new ATOM 719 N ASN A 44 8.686 26.251 27.105 1.00 0.00 N ATOM 720 CA ASN A 44 8.391 26.596 28.491 1.00 0.00 C ATOM 721 C ASN A 44 6.980 26.160 28.871 1.00 0.00 C ATOM 722 O ASN A 44 6.006 26.864 28.601 1.00 0.00 O ATOM 723 CB ASN A 44 8.548 28.102 28.708 1.00 0.00 C ATOM 724 CG ASN A 44 8.048 28.545 30.070 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.252 27.859 31.072 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.389 29.697 30.112 1.00 0.00 N ATOM 0 H ASN A 44 7.910 26.397 26.460 1.00 0.00 H new ATOM 0 HA ASN A 44 9.099 26.068 29.130 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.598 28.374 28.603 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.001 28.637 27.932 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.029 30.046 31.000 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.243 30.233 29.256 1.00 0.00 H new ATOM 733 N THR A 45 6.875 24.994 29.501 1.00 0.00 N ATOM 734 CA THR A 45 5.584 24.463 29.919 1.00 0.00 C ATOM 735 C THR A 45 5.337 24.720 31.401 1.00 0.00 C ATOM 736 O THR A 45 5.089 23.791 32.169 1.00 0.00 O ATOM 737 CB THR A 45 5.484 22.950 29.648 1.00 0.00 C ATOM 738 OG1 THR A 45 6.616 22.276 30.211 1.00 0.00 O ATOM 739 CG2 THR A 45 5.412 22.671 28.155 1.00 0.00 C ATOM 0 H THR A 45 7.670 24.399 29.733 1.00 0.00 H new ATOM 0 HA THR A 45 4.825 24.980 29.332 1.00 0.00 H new ATOM 0 HB THR A 45 4.571 22.579 30.115 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.582 22.340 31.188 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.342 21.596 27.989 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.534 23.161 27.735 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.309 23.056 27.669 1.00 0.00 H new ATOM 747 N ARG A 46 5.406 25.987 31.796 1.00 0.00 N ATOM 748 CA ARG A 46 5.190 26.366 33.187 1.00 0.00 C ATOM 749 C ARG A 46 3.763 26.864 33.400 1.00 0.00 C ATOM 750 O ARG A 46 3.316 27.036 34.534 1.00 0.00 O ATOM 751 CB ARG A 46 6.186 27.449 33.604 1.00 0.00 C ATOM 752 CG ARG A 46 5.815 28.839 33.113 1.00 0.00 C ATOM 753 CD ARG A 46 6.859 29.869 33.517 1.00 0.00 C ATOM 754 NE ARG A 46 6.741 31.101 32.742 1.00 0.00 N ATOM 755 CZ ARG A 46 7.588 32.119 32.845 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.611 32.051 33.686 1.00 0.00 N ATOM 757 NH2 ARG A 46 7.414 33.206 32.105 1.00 0.00 N ATOM 0 H ARG A 46 5.610 26.768 31.173 1.00 0.00 H new ATOM 0 HA ARG A 46 5.345 25.482 33.806 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.259 27.464 34.691 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.173 27.189 33.222 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.714 28.828 32.028 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.845 29.123 33.521 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.752 30.096 34.578 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.855 29.448 33.380 1.00 0.00 H new ATOM 0 HE ARG A 46 5.965 31.184 32.085 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.749 31.216 34.255 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.260 32.834 33.764 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.629 33.261 31.456 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.065 33.987 32.185 1.00 0.00 H new ATOM 771 N LYS A 47 3.052 27.093 32.301 1.00 0.00 N ATOM 772 CA LYS A 47 1.676 27.571 32.366 1.00 0.00 C ATOM 773 C LYS A 47 0.746 26.659 31.571 1.00 0.00 C ATOM 774 O LYS A 47 1.175 25.642 31.027 1.00 0.00 O ATOM 775 CB LYS A 47 1.585 29.001 31.829 1.00 0.00 C ATOM 776 CG LYS A 47 0.885 29.962 32.776 1.00 0.00 C ATOM 777 CD LYS A 47 1.882 30.740 33.617 1.00 0.00 C ATOM 778 CE LYS A 47 1.181 31.612 34.648 1.00 0.00 C ATOM 779 NZ LYS A 47 0.464 32.752 34.014 1.00 0.00 N ATOM 0 H LYS A 47 3.406 26.955 31.354 1.00 0.00 H new ATOM 0 HA LYS A 47 1.363 27.561 33.410 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.591 29.370 31.628 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.054 28.990 30.877 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.271 30.656 32.203 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.212 29.406 33.429 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.553 30.046 34.122 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.497 31.364 32.969 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.473 31.007 35.214 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.914 31.994 35.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.042 33.351 34.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.135 33.315 33.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.287 32.388 33.393 1.00 0.00 H new ATOM 793 N ALA A 48 -0.528 27.030 31.509 1.00 0.00 N ATOM 794 CA ALA A 48 -1.517 26.247 30.778 1.00 0.00 C ATOM 795 C ALA A 48 -2.484 27.152 30.021 1.00 0.00 C ATOM 796 O ALA A 48 -3.277 27.885 30.612 1.00 0.00 O ATOM 797 CB ALA A 48 -2.279 25.338 31.730 1.00 0.00 C ATOM 0 H ALA A 48 -0.900 27.868 31.956 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.990 25.632 30.049 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.014 24.759 31.170 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.582 24.660 32.222 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.788 25.942 32.481 1.00 0.00 H new ATOM 803 N PRO A 49 -2.417 27.103 28.683 1.00 0.00 N ATOM 804 CA PRO A 49 -1.477 26.234 27.968 1.00 0.00 C ATOM 805 C PRO A 49 -0.032 26.696 28.120 1.00 0.00 C ATOM 806 O PRO A 49 0.246 27.805 28.578 1.00 0.00 O ATOM 807 CB PRO A 49 -1.925 26.351 26.509 1.00 0.00 C ATOM 808 CG PRO A 49 -2.603 27.674 26.426 1.00 0.00 C ATOM 809 CD PRO A 49 -3.255 27.891 27.763 1.00 0.00 C ATOM 0 HA PRO A 49 -1.492 25.214 28.352 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.075 26.298 25.829 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.602 25.541 26.237 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.887 28.466 26.208 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.342 27.684 25.625 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.270 28.946 28.037 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.289 27.547 27.766 1.00 0.00 H new ATOM 817 N PRO A 50 0.912 25.828 27.728 1.00 0.00 N ATOM 818 CA PRO A 50 2.345 26.126 27.810 1.00 0.00 C ATOM 819 C PRO A 50 2.774 27.195 26.810 1.00 0.00 C ATOM 820 O PRO A 50 2.064 27.477 25.845 1.00 0.00 O ATOM 821 CB PRO A 50 3.006 24.786 27.476 1.00 0.00 C ATOM 822 CG PRO A 50 1.998 24.062 26.652 1.00 0.00 C ATOM 823 CD PRO A 50 0.654 24.489 27.172 1.00 0.00 C ATOM 0 HA PRO A 50 2.623 26.523 28.786 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.937 24.930 26.927 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.252 24.229 28.380 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.105 24.311 25.596 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.125 22.983 26.739 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.092 24.521 26.378 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.281 23.803 27.933 1.00 0.00 H new ATOM 831 N LYS A 51 3.939 27.787 27.047 1.00 0.00 N ATOM 832 CA LYS A 51 4.464 28.824 26.167 1.00 0.00 C ATOM 833 C LYS A 51 5.680 28.320 25.397 1.00 0.00 C ATOM 834 O LYS A 51 6.321 27.347 25.796 1.00 0.00 O ATOM 835 CB LYS A 51 4.840 30.067 26.977 1.00 0.00 C ATOM 836 CG LYS A 51 3.644 30.902 27.400 1.00 0.00 C ATOM 837 CD LYS A 51 4.069 32.118 28.206 1.00 0.00 C ATOM 838 CE LYS A 51 2.929 33.113 28.358 1.00 0.00 C ATOM 839 NZ LYS A 51 2.112 32.840 29.572 1.00 0.00 N ATOM 0 H LYS A 51 4.538 27.566 27.842 1.00 0.00 H new ATOM 0 HA LYS A 51 3.685 29.086 25.451 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.390 29.758 27.866 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.514 30.686 26.385 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.094 31.225 26.516 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.964 30.291 27.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.410 31.801 29.191 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.914 32.603 27.717 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.334 34.123 28.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.292 33.072 27.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.346 33.540 29.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.704 31.885 29.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.714 32.904 30.417 1.00 0.00 H new ATOM 853 N PHE A 52 5.994 28.988 24.292 1.00 0.00 N ATOM 854 CA PHE A 52 7.134 28.607 23.466 1.00 0.00 C ATOM 855 C PHE A 52 7.875 29.842 22.960 1.00 0.00 C ATOM 856 O PHE A 52 7.278 30.900 22.763 1.00 0.00 O ATOM 857 CB PHE A 52 6.671 27.755 22.282 1.00 0.00 C ATOM 858 CG PHE A 52 5.902 26.531 22.689 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.562 26.621 23.030 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.518 25.291 22.731 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.850 25.497 23.405 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.811 24.163 23.104 1.00 0.00 C ATOM 863 CZ PHE A 52 4.476 24.267 23.443 1.00 0.00 C ATOM 0 H PHE A 52 5.475 29.796 23.948 1.00 0.00 H new ATOM 0 HA PHE A 52 7.817 28.021 24.081 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.048 28.365 21.627 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.542 27.451 21.701 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.068 27.581 23.002 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.562 25.204 22.469 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.806 25.581 23.668 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.302 23.201 23.130 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.923 23.387 23.737 1.00 0.00 H new ATOM 873 N TYR A 53 9.179 29.697 22.752 1.00 0.00 N ATOM 874 CA TYR A 53 10.003 30.800 22.272 1.00 0.00 C ATOM 875 C TYR A 53 10.250 30.682 20.771 1.00 0.00 C ATOM 876 O TYR A 53 10.826 29.701 20.300 1.00 0.00 O ATOM 877 CB TYR A 53 11.337 30.831 23.019 1.00 0.00 C ATOM 878 CG TYR A 53 11.984 32.197 23.049 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.257 33.323 23.416 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.321 32.362 22.711 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.844 34.574 23.443 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.916 33.608 22.737 1.00 0.00 C ATOM 883 CZ TYR A 53 13.174 34.711 23.103 1.00 0.00 C ATOM 884 OH TYR A 53 13.762 35.954 23.131 1.00 0.00 O ATOM 0 H TYR A 53 9.688 28.827 22.908 1.00 0.00 H new ATOM 0 HA TYR A 53 9.467 31.730 22.462 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.178 30.491 24.042 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.022 30.124 22.551 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.216 33.219 23.685 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.906 31.501 22.423 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.265 35.440 23.729 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.957 33.718 22.472 1.00 0.00 H new ATOM 0 HH TYR A 53 14.621 35.920 22.660 1.00 0.00 H new ATOM 894 N VAL A 54 9.811 31.690 20.024 1.00 0.00 N ATOM 895 CA VAL A 54 9.986 31.702 18.577 1.00 0.00 C ATOM 896 C VAL A 54 10.872 32.863 18.140 1.00 0.00 C ATOM 897 O VAL A 54 10.957 33.885 18.822 1.00 0.00 O ATOM 898 CB VAL A 54 8.632 31.802 17.849 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.871 30.489 17.956 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.810 32.952 18.409 1.00 0.00 C ATOM 0 H VAL A 54 9.331 32.509 20.397 1.00 0.00 H new ATOM 0 HA VAL A 54 10.466 30.761 18.309 1.00 0.00 H new ATOM 0 HB VAL A 54 8.820 32.001 16.794 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.917 30.578 17.436 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.458 29.690 17.503 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.692 30.257 19.006 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.857 33.008 17.883 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.629 32.787 19.471 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.354 33.887 18.275 1.00 0.00 H new ATOM 910 N HIS A 55 11.530 32.701 16.996 1.00 0.00 N ATOM 911 CA HIS A 55 12.410 33.736 16.466 1.00 0.00 C ATOM 912 C HIS A 55 12.156 33.956 14.978 1.00 0.00 C ATOM 913 O HIS A 55 12.176 33.011 14.189 1.00 0.00 O ATOM 914 CB HIS A 55 13.873 33.358 16.696 1.00 0.00 C ATOM 915 CG HIS A 55 14.830 34.111 15.823 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.699 35.456 15.548 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.939 33.699 15.164 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.685 35.838 14.756 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.451 34.791 14.508 1.00 0.00 N ATOM 0 H HIS A 55 11.470 31.862 16.418 1.00 0.00 H new ATOM 0 HA HIS A 55 12.196 34.665 16.994 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.127 33.539 17.740 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.996 32.290 16.519 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.345 32.698 15.156 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.839 36.837 14.376 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.287 34.793 13.924 1.00 0.00 H new ATOM 927 N TYR A 56 11.917 35.207 14.602 1.00 0.00 N ATOM 928 CA TYR A 56 11.656 35.550 13.209 1.00 0.00 C ATOM 929 C TYR A 56 12.946 35.537 12.394 1.00 0.00 C ATOM 930 O TYR A 56 13.783 36.432 12.520 1.00 0.00 O ATOM 931 CB TYR A 56 10.994 36.925 13.116 1.00 0.00 C ATOM 932 CG TYR A 56 9.730 37.046 13.936 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.779 37.428 15.271 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.487 36.776 13.378 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.627 37.539 16.026 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.329 36.886 14.124 1.00 0.00 C ATOM 937 CZ TYR A 56 7.405 37.267 15.447 1.00 0.00 C ATOM 938 OH TYR A 56 6.254 37.376 16.194 1.00 0.00 O ATOM 0 H TYR A 56 11.899 36.001 15.242 1.00 0.00 H new ATOM 0 HA TYR A 56 10.980 34.801 12.797 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.704 37.684 13.445 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.762 37.137 12.072 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.734 37.642 15.727 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.424 36.475 12.343 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.683 37.837 17.063 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.370 36.675 13.674 1.00 0.00 H new ATOM 0 HH TYR A 56 6.481 37.653 17.106 1.00 0.00 H new ATOM 948 N VAL A 57 13.100 34.516 11.557 1.00 0.00 N ATOM 949 CA VAL A 57 14.286 34.387 10.719 1.00 0.00 C ATOM 950 C VAL A 57 14.423 35.574 9.772 1.00 0.00 C ATOM 951 O VAL A 57 15.529 35.944 9.381 1.00 0.00 O ATOM 952 CB VAL A 57 14.250 33.087 9.893 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.524 32.939 9.075 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.047 31.884 10.801 1.00 0.00 C ATOM 0 H VAL A 57 12.418 33.766 11.441 1.00 0.00 H new ATOM 0 HA VAL A 57 15.145 34.360 11.389 1.00 0.00 H new ATOM 0 HB VAL A 57 13.408 33.139 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.481 32.015 8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.621 33.786 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.384 32.909 9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.024 30.975 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.867 31.826 11.517 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.104 31.988 11.338 1.00 0.00 H new ATOM 964 N ASN A 58 13.290 36.168 9.409 1.00 0.00 N ATOM 965 CA ASN A 58 13.284 37.314 8.508 1.00 0.00 C ATOM 966 C ASN A 58 13.847 38.552 9.199 1.00 0.00 C ATOM 967 O ASN A 58 14.334 39.474 8.544 1.00 0.00 O ATOM 968 CB ASN A 58 11.863 37.594 8.015 1.00 0.00 C ATOM 969 CG ASN A 58 11.843 38.246 6.646 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.260 39.315 6.464 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.483 37.604 5.676 1.00 0.00 N ATOM 0 H ASN A 58 12.366 35.875 9.725 1.00 0.00 H new ATOM 0 HA ASN A 58 13.918 37.076 7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.304 36.659 7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.354 38.241 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.505 37.995 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.953 36.720 5.873 1.00 0.00 H new ATOM 978 N TYR A 59 13.778 38.566 10.525 1.00 0.00 N ATOM 979 CA TYR A 59 14.279 39.691 11.305 1.00 0.00 C ATOM 980 C TYR A 59 15.442 39.262 12.195 1.00 0.00 C ATOM 981 O TYR A 59 15.918 38.131 12.111 1.00 0.00 O ATOM 982 CB TYR A 59 13.159 40.284 12.162 1.00 0.00 C ATOM 983 CG TYR A 59 11.989 40.800 11.355 1.00 0.00 C ATOM 984 CD1 TYR A 59 11.000 39.937 10.898 1.00 0.00 C ATOM 985 CD2 TYR A 59 11.871 42.151 11.051 1.00 0.00 C ATOM 986 CE1 TYR A 59 9.930 40.404 10.161 1.00 0.00 C ATOM 987 CE2 TYR A 59 10.803 42.627 10.315 1.00 0.00 C ATOM 988 CZ TYR A 59 9.835 41.750 9.872 1.00 0.00 C ATOM 989 OH TYR A 59 8.770 42.219 9.139 1.00 0.00 O ATOM 0 H TYR A 59 13.380 37.810 11.083 1.00 0.00 H new ATOM 0 HA TYR A 59 14.637 40.451 10.610 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.803 39.524 12.857 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.564 41.099 12.761 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.070 38.883 11.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.627 42.841 11.396 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.171 39.719 9.812 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.727 43.680 10.088 1.00 0.00 H new ATOM 0 HH TYR A 59 8.853 43.189 9.025 1.00 0.00 H new ATOM 999 N ASN A 60 15.894 40.176 13.048 1.00 0.00 N ATOM 1000 CA ASN A 60 17.001 39.893 13.954 1.00 0.00 C ATOM 1001 C ASN A 60 16.524 39.097 15.165 1.00 0.00 C ATOM 1002 O ASN A 60 15.325 38.886 15.350 1.00 0.00 O ATOM 1003 CB ASN A 60 17.656 41.197 14.414 1.00 0.00 C ATOM 1004 CG ASN A 60 18.381 41.909 13.288 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.469 41.501 12.880 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.780 42.978 12.779 1.00 0.00 N ATOM 0 H ASN A 60 15.511 41.118 13.131 1.00 0.00 H new ATOM 0 HA ASN A 60 17.735 39.295 13.414 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.893 41.858 14.826 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.360 40.983 15.218 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.220 43.497 12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.878 43.280 13.148 1.00 0.00 H new ATOM 1013 N LYS A 61 17.470 38.656 15.987 1.00 0.00 N ATOM 1014 CA LYS A 61 17.149 37.884 17.181 1.00 0.00 C ATOM 1015 C LYS A 61 16.444 38.754 18.218 1.00 0.00 C ATOM 1016 O LYS A 61 15.911 38.249 19.205 1.00 0.00 O ATOM 1017 CB LYS A 61 18.421 37.284 17.783 1.00 0.00 C ATOM 1018 CG LYS A 61 18.153 36.249 18.863 1.00 0.00 C ATOM 1019 CD LYS A 61 18.517 36.775 20.241 1.00 0.00 C ATOM 1020 CE LYS A 61 19.029 35.664 21.145 1.00 0.00 C ATOM 1021 NZ LYS A 61 19.535 36.192 22.442 1.00 0.00 N ATOM 0 H LYS A 61 18.467 38.821 15.848 1.00 0.00 H new ATOM 0 HA LYS A 61 16.476 37.077 16.891 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.007 36.824 16.988 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.028 38.086 18.203 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.100 35.968 18.846 1.00 0.00 H new ATOM 0 HG3 LYS A 61 18.727 35.346 18.654 1.00 0.00 H new ATOM 0 HD2 LYS A 61 19.279 37.549 20.147 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.643 37.242 20.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 18.227 34.950 21.332 1.00 0.00 H new ATOM 0 HE3 LYS A 61 19.827 35.122 20.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.875 35.404 23.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.317 36.854 22.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.767 36.687 22.938 1.00 0.00 H new ATOM 1035 N ARG A 62 16.446 40.062 17.985 1.00 0.00 N ATOM 1036 CA ARG A 62 15.807 41.001 18.899 1.00 0.00 C ATOM 1037 C ARG A 62 14.300 41.047 18.665 1.00 0.00 C ATOM 1038 O ARG A 62 13.577 41.780 19.343 1.00 0.00 O ATOM 1039 CB ARG A 62 16.403 42.400 18.726 1.00 0.00 C ATOM 1040 CG ARG A 62 16.157 43.002 17.353 1.00 0.00 C ATOM 1041 CD ARG A 62 17.310 43.895 16.921 1.00 0.00 C ATOM 1042 NE ARG A 62 17.168 45.256 17.432 1.00 0.00 N ATOM 1043 CZ ARG A 62 18.063 46.215 17.225 1.00 0.00 C ATOM 1044 NH1 ARG A 62 19.158 45.964 16.521 1.00 0.00 N ATOM 1045 NH2 ARG A 62 17.864 47.429 17.723 1.00 0.00 N ATOM 0 H ARG A 62 16.883 40.496 17.172 1.00 0.00 H new ATOM 0 HA ARG A 62 15.989 40.659 19.918 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.982 43.061 19.484 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.477 42.353 18.905 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.021 42.204 16.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.233 43.581 17.368 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.250 43.471 17.275 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.361 43.920 15.832 1.00 0.00 H new ATOM 0 HE ARG A 62 16.336 45.482 17.977 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.315 45.032 16.137 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.844 46.703 16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.023 47.626 18.265 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.552 48.165 17.563 1.00 0.00 H new ATOM 1059 N LEU A 63 13.832 40.261 17.702 1.00 0.00 N ATOM 1060 CA LEU A 63 12.410 40.212 17.378 1.00 0.00 C ATOM 1061 C LEU A 63 11.746 39.000 18.023 1.00 0.00 C ATOM 1062 O LEU A 63 10.534 38.983 18.235 1.00 0.00 O ATOM 1063 CB LEU A 63 12.214 40.168 15.861 1.00 0.00 C ATOM 1064 CG LEU A 63 11.980 41.515 15.176 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.739 42.192 15.737 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.198 42.413 15.336 1.00 0.00 C ATOM 0 H LEU A 63 14.416 39.649 17.132 1.00 0.00 H new ATOM 0 HA LEU A 63 11.941 41.113 17.773 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.093 39.704 15.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.365 39.520 15.643 1.00 0.00 H new ATOM 0 HG LEU A 63 11.821 41.337 14.112 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.589 43.149 15.237 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.870 41.555 15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.867 42.358 16.807 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.014 43.367 14.842 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.388 42.583 16.396 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.066 41.933 14.885 1.00 0.00 H new ATOM 1078 N ASP A 64 12.549 37.988 18.334 1.00 0.00 N ATOM 1079 CA ASP A 64 12.040 36.772 18.959 1.00 0.00 C ATOM 1080 C ASP A 64 11.210 37.103 20.195 1.00 0.00 C ATOM 1081 O ASP A 64 11.309 38.199 20.745 1.00 0.00 O ATOM 1082 CB ASP A 64 13.196 35.846 19.338 1.00 0.00 C ATOM 1083 CG ASP A 64 14.108 36.456 20.384 1.00 0.00 C ATOM 1084 OD1 ASP A 64 13.902 37.637 20.734 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.028 35.753 20.853 1.00 0.00 O ATOM 0 H ASP A 64 13.555 37.985 18.164 1.00 0.00 H new ATOM 0 HA ASP A 64 11.399 36.263 18.239 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.795 34.905 19.714 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.777 35.611 18.446 1.00 0.00 H new ATOM 1090 N GLU A 65 10.393 36.147 20.626 1.00 0.00 N ATOM 1091 CA GLU A 65 9.545 36.339 21.797 1.00 0.00 C ATOM 1092 C GLU A 65 8.875 35.030 22.203 1.00 0.00 C ATOM 1093 O GLU A 65 9.069 33.996 21.564 1.00 0.00 O ATOM 1094 CB GLU A 65 8.481 37.403 21.515 1.00 0.00 C ATOM 1095 CG GLU A 65 7.615 37.092 20.306 1.00 0.00 C ATOM 1096 CD GLU A 65 6.788 38.282 19.860 1.00 0.00 C ATOM 1097 OE1 GLU A 65 7.331 39.145 19.138 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.598 38.352 20.233 1.00 0.00 O ATOM 0 H GLU A 65 10.300 35.233 20.183 1.00 0.00 H new ATOM 0 HA GLU A 65 10.176 36.675 22.620 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.842 37.507 22.392 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.972 38.364 21.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.251 36.767 19.482 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.951 36.261 20.543 1.00 0.00 H new ATOM 1105 N TRP A 66 8.086 35.082 23.271 1.00 0.00 N ATOM 1106 CA TRP A 66 7.388 33.901 23.764 1.00 0.00 C ATOM 1107 C TRP A 66 5.933 33.898 23.307 1.00 0.00 C ATOM 1108 O TRP A 66 5.110 34.656 23.822 1.00 0.00 O ATOM 1109 CB TRP A 66 7.456 33.843 25.291 1.00 0.00 C ATOM 1110 CG TRP A 66 8.856 33.779 25.821 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.702 34.830 26.031 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.574 32.601 26.206 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.902 34.377 26.523 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.849 33.013 26.641 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.263 31.239 26.228 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.809 32.111 27.090 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.217 30.345 26.674 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.478 30.784 27.101 1.00 0.00 C ATOM 0 H TRP A 66 7.914 35.930 23.812 1.00 0.00 H new ATOM 0 HA TRP A 66 7.881 33.020 23.352 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.959 34.721 25.703 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.903 32.971 25.639 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.463 35.865 25.839 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.703 34.962 26.762 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.294 30.891 25.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.781 32.447 27.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.987 29.290 26.694 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.202 30.060 27.445 1.00 0.00 H new ATOM 1129 N ILE A 67 5.623 33.042 22.339 1.00 0.00 N ATOM 1130 CA ILE A 67 4.267 32.941 21.815 1.00 0.00 C ATOM 1131 C ILE A 67 3.532 31.749 22.418 1.00 0.00 C ATOM 1132 O ILE A 67 4.153 30.809 22.917 1.00 0.00 O ATOM 1133 CB ILE A 67 4.265 32.809 20.281 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.041 31.561 19.854 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.859 34.054 19.641 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.776 31.145 18.424 1.00 0.00 C ATOM 0 H ILE A 67 6.293 32.409 21.902 1.00 0.00 H new ATOM 0 HA ILE A 67 3.752 33.861 22.093 1.00 0.00 H new ATOM 0 HB ILE A 67 3.234 32.707 19.941 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.108 31.746 19.978 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.781 30.737 20.518 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.850 33.945 18.556 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.268 34.925 19.923 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.885 34.185 19.984 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.359 30.254 18.190 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.715 30.928 18.299 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.063 31.953 17.751 1.00 0.00 H new ATOM 1148 N THR A 68 2.204 31.792 22.368 1.00 0.00 N ATOM 1149 CA THR A 68 1.384 30.715 22.909 1.00 0.00 C ATOM 1150 C THR A 68 0.792 29.861 21.793 1.00 0.00 C ATOM 1151 O THR A 68 0.969 30.157 20.610 1.00 0.00 O ATOM 1152 CB THR A 68 0.239 31.265 23.780 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.184 32.541 23.286 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.678 31.397 25.231 1.00 0.00 C ATOM 0 H THR A 68 1.674 32.561 21.958 1.00 0.00 H new ATOM 0 HA THR A 68 2.038 30.099 23.527 1.00 0.00 H new ATOM 0 HB THR A 68 -0.594 30.563 23.731 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.913 32.883 23.844 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.147 31.787 25.827 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.971 30.419 25.613 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.526 32.080 25.294 1.00 0.00 H new ATOM 1162 N THR A 69 0.089 28.800 22.175 1.00 0.00 N ATOM 1163 CA THR A 69 -0.528 27.903 21.206 1.00 0.00 C ATOM 1164 C THR A 69 -1.434 28.667 20.248 1.00 0.00 C ATOM 1165 O THR A 69 -1.417 28.430 19.040 1.00 0.00 O ATOM 1166 CB THR A 69 -1.350 26.802 21.904 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.534 27.365 22.479 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.529 26.119 22.988 1.00 0.00 C ATOM 0 H THR A 69 -0.067 28.541 23.149 1.00 0.00 H new ATOM 0 HA THR A 69 0.283 27.440 20.643 1.00 0.00 H new ATOM 0 HB THR A 69 -1.628 26.058 21.157 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.052 26.659 22.919 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.130 25.346 23.467 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.357 25.666 22.543 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.225 26.855 23.732 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.224 29.585 20.794 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.136 30.387 19.987 1.00 0.00 C ATOM 1178 C ASP A 70 -2.365 31.311 19.050 1.00 0.00 C ATOM 1179 O ASP A 70 -2.933 31.882 18.119 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.060 31.209 20.887 1.00 0.00 C ATOM 1181 CG ASP A 70 -4.558 30.418 22.081 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.225 29.384 21.872 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -4.280 30.835 23.226 1.00 0.00 O ATOM 0 H ASP A 70 -2.251 29.792 21.792 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.739 29.708 19.384 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.529 32.094 21.237 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.913 31.559 20.305 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.068 31.454 19.304 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.219 32.310 18.485 1.00 0.00 C ATOM 1190 C ARG A 71 0.570 31.485 17.472 1.00 0.00 C ATOM 1191 O ARG A 71 1.446 32.006 16.781 1.00 0.00 O ATOM 1192 CB ARG A 71 0.742 33.107 19.369 1.00 0.00 C ATOM 1193 CG ARG A 71 0.056 34.174 20.207 1.00 0.00 C ATOM 1194 CD ARG A 71 1.018 35.288 20.588 1.00 0.00 C ATOM 1195 NE ARG A 71 0.318 36.476 21.067 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.930 37.611 21.388 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.248 37.710 21.281 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.224 38.649 21.816 1.00 0.00 N ATOM 0 H ARG A 71 -0.583 30.988 20.071 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.861 33.003 17.941 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.268 32.419 20.031 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.494 33.580 18.738 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.783 34.591 19.650 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.354 33.721 21.110 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.698 34.931 21.362 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.629 35.551 19.724 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.697 36.433 21.160 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.794 36.914 20.952 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.716 38.582 21.528 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.790 38.577 21.899 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.695 39.520 22.062 1.00 0.00 H new ATOM 1212 N ILE A 72 0.254 30.197 17.391 1.00 0.00 N ATOM 1213 CA ILE A 72 0.933 29.301 16.464 1.00 0.00 C ATOM 1214 C ILE A 72 0.018 28.909 15.309 1.00 0.00 C ATOM 1215 O ILE A 72 -1.184 28.723 15.493 1.00 0.00 O ATOM 1216 CB ILE A 72 1.425 28.025 17.172 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.392 28.383 18.302 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.090 27.089 16.174 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.514 27.306 19.357 1.00 0.00 C ATOM 0 H ILE A 72 -0.468 29.751 17.956 1.00 0.00 H new ATOM 0 HA ILE A 72 1.794 29.844 16.074 1.00 0.00 H new ATOM 0 HB ILE A 72 0.566 27.512 17.604 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.377 28.578 17.878 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.060 29.307 18.775 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.433 26.192 16.689 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.373 26.812 15.401 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.942 27.592 15.716 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.216 27.628 20.126 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.538 27.126 19.808 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.876 26.386 18.898 1.00 0.00 H new ATOM 1231 N ASN A 73 0.596 28.783 14.119 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.168 28.410 12.934 1.00 0.00 C ATOM 1233 C ASN A 73 -0.001 26.926 12.624 1.00 0.00 C ATOM 1234 O ASN A 73 1.050 26.494 12.148 1.00 0.00 O ATOM 1235 CB ASN A 73 0.276 29.247 11.732 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.789 29.321 10.655 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.750 28.552 10.662 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.622 30.251 9.721 1.00 0.00 N ATOM 0 H ASN A 73 1.590 28.934 13.950 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.222 28.604 13.135 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.522 30.255 12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.186 28.819 11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.306 30.349 8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.190 30.867 9.754 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.045 26.150 12.895 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.015 24.713 12.645 1.00 0.00 C ATOM 1247 C LEU A 74 -1.612 24.386 11.280 1.00 0.00 C ATOM 1248 O LEU A 74 -2.036 23.257 11.031 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.780 23.968 13.741 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.984 23.626 15.000 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.057 22.558 14.700 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.323 24.873 15.570 1.00 0.00 C ATOM 0 H LEU A 74 -1.922 26.492 13.288 1.00 0.00 H new ATOM 0 HA LEU A 74 0.026 24.389 12.653 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.639 24.572 14.032 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.170 23.042 13.319 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.674 23.232 15.746 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.614 22.327 15.608 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.440 21.657 14.340 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.744 22.923 13.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.239 24.610 16.466 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.354 25.297 14.828 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.088 25.606 15.824 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.641 25.379 10.399 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.183 25.197 9.057 1.00 0.00 C ATOM 1266 C ASP A 75 -1.063 24.988 8.043 1.00 0.00 C ATOM 1267 O ASP A 75 -1.276 24.411 6.976 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.032 26.405 8.658 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.541 26.309 7.234 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.083 25.246 6.868 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -3.396 27.298 6.484 1.00 0.00 O ATOM 0 H ASP A 75 -1.295 26.319 10.590 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.813 24.308 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.879 26.491 9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.441 27.314 8.769 1.00 0.00 H new ATOM 1276 N LYS A 76 0.131 25.464 8.381 1.00 0.00 N ATOM 1277 CA LYS A 76 1.285 25.330 7.500 1.00 0.00 C ATOM 1278 C LYS A 76 2.173 24.170 7.939 1.00 0.00 C ATOM 1279 O LYS A 76 2.281 23.875 9.129 1.00 0.00 O ATOM 1280 CB LYS A 76 2.095 26.629 7.487 1.00 0.00 C ATOM 1281 CG LYS A 76 1.827 27.500 6.272 1.00 0.00 C ATOM 1282 CD LYS A 76 1.823 28.976 6.634 1.00 0.00 C ATOM 1283 CE LYS A 76 1.193 29.818 5.535 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.294 29.757 5.573 1.00 0.00 N ATOM 0 H LYS A 76 0.324 25.946 9.259 1.00 0.00 H new ATOM 0 HA LYS A 76 0.921 25.125 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.868 27.198 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.157 26.386 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.587 27.312 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.866 27.229 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.275 29.122 7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.845 29.311 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.517 30.853 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.546 29.471 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.654 29.470 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.595 29.064 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.674 30.694 5.817 1.00 0.00 H new ATOM 1298 N GLU A 77 2.807 23.516 6.970 1.00 0.00 N ATOM 1299 CA GLU A 77 3.685 22.389 7.258 1.00 0.00 C ATOM 1300 C GLU A 77 4.733 22.768 8.300 1.00 0.00 C ATOM 1301 O GLU A 77 5.033 23.946 8.496 1.00 0.00 O ATOM 1302 CB GLU A 77 4.373 21.910 5.978 1.00 0.00 C ATOM 1303 CG GLU A 77 3.414 21.678 4.822 1.00 0.00 C ATOM 1304 CD GLU A 77 4.086 21.026 3.629 1.00 0.00 C ATOM 1305 OE1 GLU A 77 5.322 21.149 3.504 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.375 20.393 2.820 1.00 0.00 O ATOM 0 H GLU A 77 2.729 23.748 5.980 1.00 0.00 H new ATOM 0 HA GLU A 77 3.075 21.580 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.118 22.647 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.907 20.983 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.590 21.049 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.983 22.631 4.516 1.00 0.00 H new ATOM 1313 N VAL A 78 5.287 21.761 8.968 1.00 0.00 N ATOM 1314 CA VAL A 78 6.302 21.987 9.990 1.00 0.00 C ATOM 1315 C VAL A 78 7.655 21.438 9.552 1.00 0.00 C ATOM 1316 O VAL A 78 7.736 20.376 8.933 1.00 0.00 O ATOM 1317 CB VAL A 78 5.906 21.338 11.329 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.020 21.499 12.352 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.605 21.934 11.845 1.00 0.00 C ATOM 0 H VAL A 78 5.050 20.780 8.819 1.00 0.00 H new ATOM 0 HA VAL A 78 6.378 23.066 10.127 1.00 0.00 H new ATOM 0 HB VAL A 78 5.750 20.272 11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.721 21.034 13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.926 21.019 11.982 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.212 22.559 12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.340 21.464 12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.730 23.006 11.995 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.811 21.759 11.119 1.00 0.00 H new ATOM 1329 N LEU A 79 8.717 22.167 9.877 1.00 0.00 N ATOM 1330 CA LEU A 79 10.069 21.753 9.518 1.00 0.00 C ATOM 1331 C LEU A 79 10.772 21.102 10.704 1.00 0.00 C ATOM 1332 O LEU A 79 10.869 21.691 11.781 1.00 0.00 O ATOM 1333 CB LEU A 79 10.878 22.954 9.027 1.00 0.00 C ATOM 1334 CG LEU A 79 11.130 23.023 7.520 1.00 0.00 C ATOM 1335 CD1 LEU A 79 12.109 21.941 7.093 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.822 22.895 6.754 1.00 0.00 C ATOM 0 H LEU A 79 8.668 23.048 10.389 1.00 0.00 H new ATOM 0 HA LEU A 79 9.997 21.019 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.360 23.864 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.842 22.950 9.536 1.00 0.00 H new ATOM 0 HG LEU A 79 11.569 23.993 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.276 22.005 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.055 22.079 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.698 20.962 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.021 22.946 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.354 21.940 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.153 23.707 7.038 1.00 0.00 H new ATOM 1348 N TYR A 80 11.263 19.885 10.499 1.00 0.00 N ATOM 1349 CA TYR A 80 11.958 19.154 11.552 1.00 0.00 C ATOM 1350 C TYR A 80 13.429 18.957 11.199 1.00 0.00 C ATOM 1351 O TYR A 80 13.831 19.032 10.038 1.00 0.00 O ATOM 1352 CB TYR A 80 11.292 17.796 11.785 1.00 0.00 C ATOM 1353 CG TYR A 80 10.083 17.863 12.690 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.812 18.079 12.172 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.211 17.708 14.065 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.705 18.141 12.996 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.110 17.767 14.897 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.859 17.984 14.357 1.00 0.00 C ATOM 1359 OH TYR A 80 6.759 18.044 15.181 1.00 0.00 O ATOM 0 H TYR A 80 11.193 19.384 9.613 1.00 0.00 H new ATOM 0 HA TYR A 80 11.898 19.743 12.467 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.993 17.377 10.824 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.022 17.112 12.218 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.687 18.201 11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.189 17.538 14.491 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.725 18.311 12.576 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.228 17.644 15.964 1.00 0.00 H new ATOM 0 HH TYR A 80 7.029 18.372 16.064 1.00 0.00 H new ATOM 1369 N PRO A 81 14.253 18.697 12.225 1.00 0.00 N ATOM 1370 CA PRO A 81 15.693 18.482 12.050 1.00 0.00 C ATOM 1371 C PRO A 81 16.000 17.167 11.342 1.00 0.00 C ATOM 1372 O PRO A 81 15.207 16.226 11.385 1.00 0.00 O ATOM 1373 CB PRO A 81 16.224 18.454 13.485 1.00 0.00 C ATOM 1374 CG PRO A 81 15.061 18.027 14.312 1.00 0.00 C ATOM 1375 CD PRO A 81 13.843 18.592 13.636 1.00 0.00 C ATOM 0 HA PRO A 81 16.148 19.253 11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.057 17.759 13.585 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.589 19.435 13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.004 16.940 14.374 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.150 18.400 15.332 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.978 17.939 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.569 19.563 14.048 1.00 0.00 H new ATOM 1383 N LYS A 82 17.157 17.107 10.691 1.00 0.00 N ATOM 1384 CA LYS A 82 17.572 15.907 9.975 1.00 0.00 C ATOM 1385 C LYS A 82 18.796 15.277 10.632 1.00 0.00 C ATOM 1386 O LYS A 82 19.863 15.888 10.694 1.00 0.00 O ATOM 1387 CB LYS A 82 17.879 16.241 8.513 1.00 0.00 C ATOM 1388 CG LYS A 82 18.302 15.036 7.690 1.00 0.00 C ATOM 1389 CD LYS A 82 17.101 14.237 7.214 1.00 0.00 C ATOM 1390 CE LYS A 82 17.518 12.884 6.657 1.00 0.00 C ATOM 1391 NZ LYS A 82 16.446 12.274 5.822 1.00 0.00 N ATOM 0 H LYS A 82 17.825 17.877 10.645 1.00 0.00 H new ATOM 0 HA LYS A 82 16.752 15.190 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.996 16.689 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.670 16.990 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.884 15.368 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.952 14.397 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.407 14.093 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.569 14.800 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.422 13.000 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.764 12.213 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.769 11.354 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.591 12.139 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.229 12.903 5.022 1.00 0.00 H new ATOM 1405 N LEU A 83 18.635 14.051 11.119 1.00 0.00 N ATOM 1406 CA LEU A 83 19.728 13.338 11.770 1.00 0.00 C ATOM 1407 C LEU A 83 19.960 11.981 11.113 1.00 0.00 C ATOM 1408 O LEU A 83 19.091 11.461 10.413 1.00 0.00 O ATOM 1409 CB LEU A 83 19.427 13.151 13.258 1.00 0.00 C ATOM 1410 CG LEU A 83 19.862 14.292 14.179 1.00 0.00 C ATOM 1411 CD1 LEU A 83 21.368 14.491 14.109 1.00 0.00 C ATOM 1412 CD2 LEU A 83 19.135 15.578 13.813 1.00 0.00 C ATOM 0 H LEU A 83 17.759 13.531 11.075 1.00 0.00 H new ATOM 0 HA LEU A 83 20.634 13.934 11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.353 13.005 13.376 1.00 0.00 H new ATOM 0 HB3 LEU A 83 19.912 12.234 13.594 1.00 0.00 H new ATOM 0 HG LEU A 83 19.599 14.027 15.203 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.658 15.307 14.771 1.00 0.00 H new ATOM 0 HD12 LEU A 83 21.871 13.575 14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.656 14.734 13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.456 16.380 14.478 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.367 15.847 12.782 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.060 15.430 13.916 1.00 0.00 H new ATOM 1424 N LYS A 84 21.138 11.411 11.344 1.00 0.00 N ATOM 1425 CA LYS A 84 21.485 10.113 10.778 1.00 0.00 C ATOM 1426 C LYS A 84 21.470 9.030 11.852 1.00 0.00 C ATOM 1427 O LYS A 84 21.927 9.248 12.973 1.00 0.00 O ATOM 1428 CB LYS A 84 22.864 10.173 10.118 1.00 0.00 C ATOM 1429 CG LYS A 84 23.278 8.871 9.453 1.00 0.00 C ATOM 1430 CD LYS A 84 22.651 8.724 8.077 1.00 0.00 C ATOM 1431 CE LYS A 84 23.489 9.409 7.007 1.00 0.00 C ATOM 1432 NZ LYS A 84 22.994 9.104 5.636 1.00 0.00 N ATOM 0 H LYS A 84 21.869 11.828 11.920 1.00 0.00 H new ATOM 0 HA LYS A 84 20.739 9.862 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 84 22.866 10.969 9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 84 23.606 10.439 10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 84 24.364 8.836 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 84 22.982 8.031 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 84 22.544 7.666 7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 84 21.649 9.152 8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 84 23.473 10.487 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 84 24.527 9.089 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 23.591 9.589 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 23.033 8.078 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 22.012 9.432 5.540 1.00 0.00 H new ATOM 1446 N ALA A 85 20.944 7.861 11.500 1.00 0.00 N ATOM 1447 CA ALA A 85 20.873 6.743 12.433 1.00 0.00 C ATOM 1448 C ALA A 85 22.239 6.089 12.610 1.00 0.00 C ATOM 1449 O ALA A 85 22.878 5.687 11.637 1.00 0.00 O ATOM 1450 CB ALA A 85 19.854 5.720 11.955 1.00 0.00 C ATOM 0 H ALA A 85 20.561 7.664 10.575 1.00 0.00 H new ATOM 0 HA ALA A 85 20.556 7.130 13.401 1.00 0.00 H new ATOM 0 HB1 ALA A 85 19.812 4.891 12.661 1.00 0.00 H new ATOM 0 HB2 ALA A 85 18.872 6.189 11.887 1.00 0.00 H new ATOM 0 HB3 ALA A 85 20.147 5.346 10.974 1.00 0.00 H new ATOM 1456 N THR A 86 22.683 5.985 13.859 1.00 0.00 N ATOM 1457 CA THR A 86 23.975 5.381 14.163 1.00 0.00 C ATOM 1458 C THR A 86 23.819 4.205 15.120 1.00 0.00 C ATOM 1459 O THR A 86 22.841 4.121 15.863 1.00 0.00 O ATOM 1460 CB THR A 86 24.943 6.407 14.781 1.00 0.00 C ATOM 1461 OG1 THR A 86 24.862 7.648 14.071 1.00 0.00 O ATOM 1462 CG2 THR A 86 26.373 5.890 14.747 1.00 0.00 C ATOM 0 H THR A 86 22.167 6.311 14.676 1.00 0.00 H new ATOM 0 HA THR A 86 24.389 5.026 13.219 1.00 0.00 H new ATOM 0 HB THR A 86 24.655 6.565 15.820 1.00 0.00 H new ATOM 0 HG1 THR A 86 25.479 8.295 14.472 1.00 0.00 H new ATOM 0 HG21 THR A 86 27.039 6.632 15.189 1.00 0.00 H new ATOM 0 HG22 THR A 86 26.438 4.961 15.314 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.669 5.706 13.714 1.00 0.00 H new ATOM 1470 N ASP A 87 24.790 3.298 15.097 1.00 0.00 N ATOM 1471 CA ASP A 87 24.762 2.126 15.965 1.00 0.00 C ATOM 1472 C ASP A 87 26.134 1.874 16.581 1.00 0.00 C ATOM 1473 O ASP A 87 27.160 2.028 15.919 1.00 0.00 O ATOM 1474 CB ASP A 87 24.308 0.895 15.180 1.00 0.00 C ATOM 1475 CG ASP A 87 25.237 0.567 14.027 1.00 0.00 C ATOM 1476 OD1 ASP A 87 25.330 1.386 13.089 1.00 0.00 O ATOM 1477 OD2 ASP A 87 25.871 -0.507 14.064 1.00 0.00 O ATOM 0 H ASP A 87 25.606 3.352 14.487 1.00 0.00 H new ATOM 0 HA ASP A 87 24.052 2.317 16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 87 24.253 0.039 15.853 1.00 0.00 H new ATOM 0 HB3 ASP A 87 23.302 1.064 14.795 1.00 0.00 H new ATOM 1482 N GLU A 88 26.144 1.486 17.853 1.00 0.00 N ATOM 1483 CA GLU A 88 27.391 1.214 18.558 1.00 0.00 C ATOM 1484 C GLU A 88 27.364 -0.172 19.196 1.00 0.00 C ATOM 1485 O GLU A 88 26.846 -0.349 20.299 1.00 0.00 O ATOM 1486 CB GLU A 88 27.638 2.277 19.631 1.00 0.00 C ATOM 1487 CG GLU A 88 29.067 2.301 20.147 1.00 0.00 C ATOM 1488 CD GLU A 88 29.342 1.203 21.155 1.00 0.00 C ATOM 1489 OE1 GLU A 88 28.463 0.945 22.005 1.00 0.00 O ATOM 1490 OE2 GLU A 88 30.434 0.601 21.096 1.00 0.00 O ATOM 0 H GLU A 88 25.303 1.353 18.415 1.00 0.00 H new ATOM 0 HA GLU A 88 28.204 1.245 17.832 1.00 0.00 H new ATOM 0 HB2 GLU A 88 27.392 3.257 19.223 1.00 0.00 H new ATOM 0 HB3 GLU A 88 26.962 2.101 20.467 1.00 0.00 H new ATOM 0 HG2 GLU A 88 29.754 2.198 19.307 1.00 0.00 H new ATOM 0 HG3 GLU A 88 29.267 3.269 20.606 1.00 0.00 H new ATOM 1497 N ASP A 89 27.925 -1.150 18.495 1.00 0.00 N ATOM 1498 CA ASP A 89 27.967 -2.521 18.992 1.00 0.00 C ATOM 1499 C ASP A 89 29.384 -3.081 18.923 1.00 0.00 C ATOM 1500 O ASP A 89 30.266 -2.490 18.298 1.00 0.00 O ATOM 1501 CB ASP A 89 27.015 -3.407 18.186 1.00 0.00 C ATOM 1502 CG ASP A 89 25.617 -3.436 18.770 1.00 0.00 C ATOM 1503 OD1 ASP A 89 24.987 -2.360 18.857 1.00 0.00 O ATOM 1504 OD2 ASP A 89 25.151 -4.534 19.140 1.00 0.00 O ATOM 0 H ASP A 89 28.357 -1.020 17.580 1.00 0.00 H new ATOM 0 HA ASP A 89 27.649 -2.514 20.035 1.00 0.00 H new ATOM 0 HB2 ASP A 89 26.969 -3.045 17.159 1.00 0.00 H new ATOM 0 HB3 ASP A 89 27.411 -4.422 18.149 1.00 0.00 H new TER 1509 ASP A 89