USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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: D 34 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Set 1.2: D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: D 71 THR OG1 : rot 26:sc= 0.615 USER MOD Set 2.2: D 74 ASN : amide:sc= -0.0531 K(o=0.56,f=-1.8!) USER MOD Set 3.1: D 67 ASN : amide:sc= -3.96! C(o=-2.9!,f=-6.6!) USER MOD Set 3.2: D 70 SER OG : rot 144:sc= 1.09 USER MOD Set 4.1: D 17 ASN : amide:sc= -1.29 X(o=-1.5,f=-1.3!) USER MOD Set 4.2: D 28 SER OG : rot 180:sc= -0.244 USER MOD Single : D 1 ASP N :NH3+ -176:sc= 0.577 (180deg=0.481) USER MOD Single : D 2 ASN : amide:sc=-0.00166 K(o=-0.0017,f=-0.73) USER MOD Single : D 3 GLN :FLIP amide:sc= -0.468 F(o=-3!,f=-0.47) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 9 GLN : amide:sc= -1.5! C(o=-1.5!,f=-2.7!) USER MOD Single : D 10 MET CE :methyl 162:sc= -0.0976 (180deg=-0.626) USER MOD Single : D 11 ASN : amide:sc= -0.546 K(o=-0.55,f=-3.1!) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN :FLIP amide:sc= -0.0169 F(o=-1.6!,f=-0.017) USER MOD Single : D 15 SER OG : rot -27:sc= 0.839 USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 21 ASN : amide:sc= -4.25! C(o=-4.3!,f=-5.5!) USER MOD Single : D 22 LYS NZ :NH3+ 171:sc= -0.0109 (180deg=-0.0999) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= -0.0174 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.2) USER MOD Single : D 35 GLN :FLIP amide:sc= -0.191 F(o=-2.1,f=-0.19) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -2.8! USER MOD Single : D 40 SER OG : rot 59:sc= 1.33 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -8.37! C(o=-8.4!,f=-9.1!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.515 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 160:sc= -0.125 (180deg=-0.524) USER MOD Single : D 53 ASN :FLIP amide:sc= -0.107 F(o=-3.1!,f=-0.11) USER MOD Single : D 59 ASN : amide:sc= -0.698 K(o=-0.7,f=-5.5!) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 SER OG : rot -110:sc= -0.266 USER MOD Single : D 77 ASN :FLIP amide:sc= 0.948 F(o=-0.21,f=0.95) USER MOD Single : D 80 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.045) USER MOD Single : D 81 LYS NZ :NH3+ -140:sc= 1.03 (180deg=0.0858) USER MOD Single : D 83 ASN :FLIP amide:sc= -0.677 F(o=-4.8!,f=-0.68) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 179:sc= 2.15 (180deg=2.12) USER MOD Single : D 93 GLN : amide:sc= -0.0027 X(o=-0.0027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 16.182 10.016 -9.096 1.00 0.00 N ATOM 2 CA ASP D 1 15.839 8.583 -9.228 1.00 0.00 C ATOM 3 C ASP D 1 15.577 7.956 -7.866 1.00 0.00 C ATOM 4 O ASP D 1 15.919 8.525 -6.829 1.00 0.00 O ATOM 5 CB ASP D 1 16.984 7.856 -9.952 1.00 0.00 C ATOM 6 CG ASP D 1 18.334 8.016 -9.273 1.00 0.00 C ATOM 7 OD1 ASP D 1 19.325 7.472 -9.796 1.00 0.00 O ATOM 8 OD2 ASP D 1 18.411 8.691 -8.229 1.00 0.00 O1- ATOM 0 H1 ASP D 1 16.289 10.436 -10.041 1.00 0.00 H new ATOM 0 H2 ASP D 1 15.424 10.509 -8.582 1.00 0.00 H new ATOM 0 H3 ASP D 1 17.075 10.112 -8.571 1.00 0.00 H new ATOM 0 HA ASP D 1 14.924 8.488 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP D 1 16.744 6.795 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP D 1 17.054 8.232 -10.973 1.00 0.00 H new ATOM 13 N ASN D 2 14.991 6.766 -7.874 1.00 0.00 N ATOM 14 CA ASN D 2 14.714 6.038 -6.642 1.00 0.00 C ATOM 15 C ASN D 2 15.254 4.622 -6.749 1.00 0.00 C ATOM 16 O ASN D 2 14.545 3.653 -6.472 1.00 0.00 O ATOM 17 CB ASN D 2 13.211 5.995 -6.338 1.00 0.00 C ATOM 18 CG ASN D 2 12.598 7.364 -6.104 1.00 0.00 C ATOM 19 OD1 ASN D 2 12.586 8.218 -6.992 1.00 0.00 O ATOM 20 ND2 ASN D 2 12.081 7.583 -4.906 1.00 0.00 N ATOM 0 H ASN D 2 14.697 6.283 -8.723 1.00 0.00 H new ATOM 0 HA ASN D 2 15.209 6.563 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN D 2 12.695 5.512 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN D 2 13.045 5.376 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN D 2 11.653 8.484 -4.692 1.00 0.00 H new ATOM 0 HD22 ASN D 2 12.110 6.851 -4.196 1.00 0.00 H new ATOM 27 N GLN D 3 16.501 4.515 -7.199 1.00 0.00 N ATOM 28 CA GLN D 3 17.141 3.220 -7.405 1.00 0.00 C ATOM 29 C GLN D 3 17.235 2.441 -6.100 1.00 0.00 C ATOM 30 O GLN D 3 16.729 1.324 -5.999 1.00 0.00 O ATOM 31 CB GLN D 3 18.540 3.409 -8.003 1.00 0.00 C ATOM 32 CG GLN D 3 18.549 4.101 -9.363 1.00 0.00 C ATOM 33 CD GLN D 3 17.895 3.287 -10.469 1.00 0.00 C ATOM 34 OE1 GLN D 3 17.476 2.067 -10.159 1.00 0.00 O flip ATOM 35 NE2 GLN D 3 17.789 3.749 -11.605 1.00 0.00 N flip ATOM 0 H GLN D 3 17.091 5.315 -7.429 1.00 0.00 H new ATOM 0 HA GLN D 3 16.528 2.648 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN D 3 19.145 3.991 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN D 3 19.016 2.433 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN D 3 18.035 5.058 -9.277 1.00 0.00 H new ATOM 0 HG3 GLN D 3 19.580 4.317 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN D 3 18.123 4.692 -11.805 1.00 0.00 H new ATOM 0 HE22 GLN D 3 17.367 3.189 -12.346 1.00 0.00 H new ATOM 44 N LYS D 4 17.839 3.052 -5.091 1.00 0.00 N ATOM 45 CA LYS D 4 17.942 2.424 -3.780 1.00 0.00 C ATOM 46 C LYS D 4 16.779 2.850 -2.899 1.00 0.00 C ATOM 47 O LYS D 4 16.437 2.161 -1.937 1.00 0.00 O ATOM 48 CB LYS D 4 19.273 2.756 -3.089 1.00 0.00 C ATOM 49 CG LYS D 4 20.510 2.125 -3.731 1.00 0.00 C ATOM 50 CD LYS D 4 20.783 2.643 -5.135 1.00 0.00 C ATOM 51 CE LYS D 4 22.030 2.002 -5.729 1.00 0.00 C ATOM 52 NZ LYS D 4 22.328 2.513 -7.093 1.00 0.00 N1+ ATOM 0 H LYS D 4 18.264 3.977 -5.153 1.00 0.00 H new ATOM 0 HA LYS D 4 17.906 1.345 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS D 4 19.400 3.839 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS D 4 19.216 2.432 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS D 4 21.379 2.321 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS D 4 20.381 1.043 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS D 4 19.925 2.435 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS D 4 20.906 3.726 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS D 4 22.882 2.195 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS D 4 21.897 0.921 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 23.184 2.049 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 21.527 2.307 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 22.481 3.541 -7.053 1.00 0.00 H new ATOM 66 N ALA D 5 16.165 3.975 -3.264 1.00 0.00 N ATOM 67 CA ALA D 5 15.007 4.520 -2.557 1.00 0.00 C ATOM 68 C ALA D 5 15.296 4.732 -1.074 1.00 0.00 C ATOM 69 O ALA D 5 14.862 3.951 -0.224 1.00 0.00 O ATOM 70 CB ALA D 5 13.787 3.624 -2.741 1.00 0.00 C ATOM 0 H ALA D 5 16.459 4.537 -4.063 1.00 0.00 H new ATOM 0 HA ALA D 5 14.792 5.495 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA D 5 12.938 4.050 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA D 5 13.547 3.550 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA D 5 14.002 2.631 -2.347 1.00 0.00 H new ATOM 76 N LEU D 6 15.991 5.818 -0.763 1.00 0.00 N ATOM 77 CA LEU D 6 16.298 6.161 0.625 1.00 0.00 C ATOM 78 C LEU D 6 15.121 6.885 1.273 1.00 0.00 C ATOM 79 O LEU D 6 15.240 7.435 2.365 1.00 0.00 O ATOM 80 CB LEU D 6 17.559 7.037 0.723 1.00 0.00 C ATOM 81 CG LEU D 6 18.884 6.391 0.277 1.00 0.00 C ATOM 82 CD1 LEU D 6 18.902 6.095 -1.215 1.00 0.00 C ATOM 83 CD2 LEU D 6 20.051 7.288 0.643 1.00 0.00 C ATOM 0 H LEU D 6 16.354 6.478 -1.451 1.00 0.00 H new ATOM 0 HA LEU D 6 16.484 5.228 1.157 1.00 0.00 H new ATOM 0 HB2 LEU D 6 17.398 7.933 0.124 1.00 0.00 H new ATOM 0 HB3 LEU D 6 17.669 7.361 1.758 1.00 0.00 H new ATOM 0 HG LEU D 6 18.976 5.440 0.801 1.00 0.00 H new ATOM 0 HD11 LEU D 6 19.855 5.640 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU D 6 18.091 5.409 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU D 6 18.773 7.023 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU D 6 20.983 6.822 0.323 1.00 0.00 H new ATOM 0 HD22 LEU D 6 19.939 8.252 0.147 1.00 0.00 H new ATOM 0 HD23 LEU D 6 20.071 7.436 1.723 1.00 0.00 H new ATOM 95 N GLU D 7 13.994 6.894 0.575 1.00 0.00 N ATOM 96 CA GLU D 7 12.782 7.554 1.044 1.00 0.00 C ATOM 97 C GLU D 7 11.880 6.575 1.808 1.00 0.00 C ATOM 98 O GLU D 7 10.786 6.940 2.245 1.00 0.00 O ATOM 99 CB GLU D 7 12.036 8.121 -0.172 1.00 0.00 C ATOM 100 CG GLU D 7 10.783 8.921 0.150 1.00 0.00 C ATOM 101 CD GLU D 7 10.067 9.378 -1.097 1.00 0.00 C ATOM 102 OE1 GLU D 7 9.022 10.041 -0.976 1.00 0.00 O ATOM 103 OE2 GLU D 7 10.549 9.064 -2.203 1.00 0.00 O1- ATOM 0 H GLU D 7 13.893 6.443 -0.334 1.00 0.00 H new ATOM 0 HA GLU D 7 13.052 8.357 1.730 1.00 0.00 H new ATOM 0 HB2 GLU D 7 12.720 8.758 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU D 7 11.761 7.294 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU D 7 10.109 8.312 0.752 1.00 0.00 H new ATOM 0 HG3 GLU D 7 11.052 9.789 0.752 1.00 0.00 H new ATOM 110 N GLU D 8 12.253 5.296 1.787 1.00 0.00 N ATOM 111 CA GLU D 8 11.373 4.230 2.276 1.00 0.00 C ATOM 112 C GLU D 8 10.893 4.466 3.709 1.00 0.00 C ATOM 113 O GLU D 8 9.717 4.269 4.011 1.00 0.00 O ATOM 114 CB GLU D 8 12.042 2.850 2.097 1.00 0.00 C ATOM 115 CG GLU D 8 13.384 2.657 2.800 1.00 0.00 C ATOM 116 CD GLU D 8 13.263 2.200 4.241 1.00 0.00 C ATOM 117 OE1 GLU D 8 14.307 2.067 4.905 1.00 0.00 O ATOM 118 OE2 GLU D 8 12.135 1.925 4.697 1.00 0.00 O1- ATOM 0 H GLU D 8 13.155 4.971 1.438 1.00 0.00 H new ATOM 0 HA GLU D 8 10.471 4.246 1.665 1.00 0.00 H new ATOM 0 HB2 GLU D 8 11.353 2.086 2.457 1.00 0.00 H new ATOM 0 HB3 GLU D 8 12.185 2.674 1.031 1.00 0.00 H new ATOM 0 HG2 GLU D 8 13.972 1.926 2.245 1.00 0.00 H new ATOM 0 HG3 GLU D 8 13.936 3.596 2.772 1.00 0.00 H new ATOM 125 N GLN D 9 11.787 4.883 4.587 1.00 0.00 N ATOM 126 CA GLN D 9 11.422 5.121 5.979 1.00 0.00 C ATOM 127 C GLN D 9 11.009 6.573 6.199 1.00 0.00 C ATOM 128 O GLN D 9 10.925 7.030 7.339 1.00 0.00 O ATOM 129 CB GLN D 9 12.595 4.778 6.915 1.00 0.00 C ATOM 130 CG GLN D 9 13.779 5.743 6.828 1.00 0.00 C ATOM 131 CD GLN D 9 14.394 5.815 5.449 1.00 0.00 C ATOM 132 OE1 GLN D 9 14.955 4.843 4.955 1.00 0.00 O ATOM 133 NE2 GLN D 9 14.259 6.959 4.806 1.00 0.00 N ATOM 0 H GLN D 9 12.766 5.064 4.367 1.00 0.00 H new ATOM 0 HA GLN D 9 10.575 4.475 6.210 1.00 0.00 H new ATOM 0 HB2 GLN D 9 12.231 4.761 7.942 1.00 0.00 H new ATOM 0 HB3 GLN D 9 12.945 3.772 6.685 1.00 0.00 H new ATOM 0 HG2 GLN D 9 13.449 6.739 7.123 1.00 0.00 H new ATOM 0 HG3 GLN D 9 14.542 5.435 7.543 1.00 0.00 H new ATOM 0 HE21 GLN D 9 13.785 7.743 5.254 1.00 0.00 H new ATOM 0 HE22 GLN D 9 14.629 7.059 3.861 1.00 0.00 H new ATOM 142 N MET D 10 10.863 7.331 5.118 1.00 0.00 N ATOM 143 CA MET D 10 10.593 8.757 5.260 1.00 0.00 C ATOM 144 C MET D 10 9.150 9.087 4.901 1.00 0.00 C ATOM 145 O MET D 10 8.291 9.192 5.774 1.00 0.00 O ATOM 146 CB MET D 10 11.561 9.567 4.392 1.00 0.00 C ATOM 147 CG MET D 10 11.436 11.067 4.583 1.00 0.00 C ATOM 148 SD MET D 10 11.729 11.566 6.290 1.00 0.00 S ATOM 149 CE MET D 10 13.404 10.983 6.531 1.00 0.00 C ATOM 0 H MET D 10 10.925 6.994 4.157 1.00 0.00 H new ATOM 0 HA MET D 10 10.744 9.027 6.305 1.00 0.00 H new ATOM 0 HB2 MET D 10 12.583 9.264 4.621 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.385 9.326 3.344 1.00 0.00 H new ATOM 0 HG2 MET D 10 12.147 11.575 3.931 1.00 0.00 H new ATOM 0 HG3 MET D 10 10.440 11.388 4.279 1.00 0.00 H new ATOM 0 HE1 MET D 10 13.842 11.481 7.396 1.00 0.00 H new ATOM 0 HE2 MET D 10 13.394 9.906 6.699 1.00 0.00 H new ATOM 0 HE3 MET D 10 13.998 11.206 5.645 1.00 0.00 H new ATOM 159 N ASN D 11 8.869 9.138 3.608 1.00 0.00 N ATOM 160 CA ASN D 11 7.504 9.323 3.135 1.00 0.00 C ATOM 161 C ASN D 11 6.945 8.022 2.668 1.00 0.00 C ATOM 162 O ASN D 11 5.784 7.729 2.874 1.00 0.00 O ATOM 163 CB ASN D 11 7.419 10.287 1.960 1.00 0.00 C ATOM 164 CG ASN D 11 7.676 11.730 2.338 1.00 0.00 C ATOM 165 OD1 ASN D 11 8.742 12.069 2.850 1.00 0.00 O ATOM 166 ND2 ASN D 11 6.703 12.590 2.084 1.00 0.00 N ATOM 0 H ASN D 11 9.566 9.054 2.868 1.00 0.00 H new ATOM 0 HA ASN D 11 6.943 9.729 3.977 1.00 0.00 H new ATOM 0 HB2 ASN D 11 8.141 9.985 1.201 1.00 0.00 H new ATOM 0 HB3 ASN D 11 6.430 10.209 1.508 1.00 0.00 H new ATOM 0 HD21 ASN D 11 6.821 13.577 2.314 1.00 0.00 H new ATOM 0 HD22 ASN D 11 5.835 12.266 1.658 1.00 0.00 H new ATOM 173 N SER D 12 7.743 7.378 1.849 1.00 0.00 N ATOM 174 CA SER D 12 7.338 6.217 1.090 1.00 0.00 C ATOM 175 C SER D 12 6.305 5.357 1.814 1.00 0.00 C ATOM 176 O SER D 12 5.186 5.176 1.343 1.00 0.00 O ATOM 177 CB SER D 12 8.584 5.387 0.806 1.00 0.00 C ATOM 178 OG SER D 12 8.282 4.219 0.059 1.00 0.00 O ATOM 0 H SER D 12 8.712 7.652 1.688 1.00 0.00 H new ATOM 0 HA SER D 12 6.862 6.561 0.172 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.306 5.992 0.258 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.054 5.104 1.748 1.00 0.00 H new ATOM 0 HG SER D 12 9.105 3.714 -0.105 1.00 0.00 H new ATOM 184 N ILE D 13 6.742 4.747 2.896 1.00 0.00 N ATOM 185 CA ILE D 13 5.933 3.793 3.633 1.00 0.00 C ATOM 186 C ILE D 13 5.140 4.480 4.745 1.00 0.00 C ATOM 187 O ILE D 13 4.260 3.889 5.365 1.00 0.00 O ATOM 188 CB ILE D 13 6.860 2.703 4.186 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.648 2.131 3.021 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.094 1.604 4.911 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.643 1.061 3.411 1.00 0.00 C ATOM 0 H ILE D 13 7.670 4.898 3.292 1.00 0.00 H new ATOM 0 HA ILE D 13 5.197 3.340 2.969 1.00 0.00 H new ATOM 0 HB ILE D 13 7.528 3.143 4.926 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.950 1.715 2.294 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.180 2.942 2.524 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.795 0.857 5.284 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.544 2.035 5.748 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.394 1.133 4.221 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.163 0.706 2.521 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.366 1.475 4.113 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.118 0.229 3.880 1.00 0.00 H new ATOM 203 N ASN D 14 5.425 5.748 4.956 1.00 0.00 N ATOM 204 CA ASN D 14 4.685 6.536 5.954 1.00 0.00 C ATOM 205 C ASN D 14 3.516 7.310 5.327 1.00 0.00 C ATOM 206 O ASN D 14 2.349 7.086 5.670 1.00 0.00 O ATOM 207 CB ASN D 14 5.602 7.506 6.705 1.00 0.00 C ATOM 208 CG ASN D 14 6.593 6.812 7.624 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.514 5.490 7.710 1.00 0.00 O flip ATOM 210 ND2 ASN D 14 7.415 7.465 8.268 1.00 0.00 N flip ATOM 0 H ASN D 14 6.154 6.263 4.462 1.00 0.00 H new ATOM 0 HA ASN D 14 4.278 5.818 6.666 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.150 8.110 5.982 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.991 8.190 7.293 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.445 8.480 8.175 1.00 0.00 H new ATOM 0 HD22 ASN D 14 8.066 6.990 8.894 1.00 0.00 H new ATOM 217 N SER D 15 3.823 8.219 4.406 1.00 0.00 N ATOM 218 CA SER D 15 2.794 9.012 3.746 1.00 0.00 C ATOM 219 C SER D 15 1.879 8.133 2.907 1.00 0.00 C ATOM 220 O SER D 15 0.778 8.544 2.553 1.00 0.00 O ATOM 221 CB SER D 15 3.402 10.102 2.867 1.00 0.00 C ATOM 222 OG SER D 15 4.186 9.549 1.821 1.00 0.00 O ATOM 0 H SER D 15 4.775 8.424 4.101 1.00 0.00 H new ATOM 0 HA SER D 15 2.208 9.488 4.532 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.607 10.714 2.442 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.020 10.761 3.477 1.00 0.00 H new ATOM 0 HG SER D 15 4.531 8.674 2.098 1.00 0.00 H new ATOM 228 N VAL D 16 2.323 6.905 2.616 1.00 0.00 N ATOM 229 CA VAL D 16 1.507 5.970 1.855 1.00 0.00 C ATOM 230 C VAL D 16 0.191 5.724 2.574 1.00 0.00 C ATOM 231 O VAL D 16 -0.858 5.531 1.960 1.00 0.00 O ATOM 232 CB VAL D 16 2.220 4.610 1.628 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.489 3.893 2.933 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.403 3.715 0.712 1.00 0.00 C ATOM 0 H VAL D 16 3.235 6.544 2.896 1.00 0.00 H new ATOM 0 HA VAL D 16 1.330 6.424 0.880 1.00 0.00 H new ATOM 0 HB VAL D 16 3.177 4.828 1.154 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.989 2.946 2.731 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.126 4.513 3.564 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.546 3.704 3.445 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.924 2.768 0.569 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.428 3.528 1.161 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.270 4.206 -0.252 1.00 0.00 H new ATOM 244 N ASN D 17 0.268 5.769 3.888 1.00 0.00 N ATOM 245 CA ASN D 17 -0.894 5.571 4.731 1.00 0.00 C ATOM 246 C ASN D 17 -1.803 6.766 4.631 1.00 0.00 C ATOM 247 O ASN D 17 -3.014 6.636 4.656 1.00 0.00 O ATOM 248 CB ASN D 17 -0.486 5.370 6.193 1.00 0.00 C ATOM 249 CG ASN D 17 0.403 4.164 6.410 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.487 4.068 5.847 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.043 3.241 7.242 1.00 0.00 N ATOM 0 H ASN D 17 1.133 5.943 4.400 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.413 4.676 4.388 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.033 6.262 6.543 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.384 5.264 6.802 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.521 2.413 7.435 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.951 3.356 7.692 1.00 0.00 H new ATOM 258 N ASP D 18 -1.202 7.936 4.534 1.00 0.00 N ATOM 259 CA ASP D 18 -1.945 9.182 4.455 1.00 0.00 C ATOM 260 C ASP D 18 -2.806 9.283 3.193 1.00 0.00 C ATOM 261 O ASP D 18 -3.659 10.166 3.091 1.00 0.00 O ATOM 262 CB ASP D 18 -0.965 10.349 4.492 1.00 0.00 C ATOM 263 CG ASP D 18 -0.319 10.539 5.843 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.359 9.608 6.316 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.494 11.621 6.436 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.189 8.051 4.508 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.622 9.212 5.308 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.188 10.187 3.744 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.489 11.264 4.215 1.00 0.00 H new ATOM 270 N LYS D 19 -2.545 8.423 2.217 1.00 0.00 N ATOM 271 CA LYS D 19 -3.260 8.453 0.945 1.00 0.00 C ATOM 272 C LYS D 19 -4.453 7.558 1.030 1.00 0.00 C ATOM 273 O LYS D 19 -5.403 7.651 0.257 1.00 0.00 O ATOM 274 CB LYS D 19 -2.352 7.935 -0.106 1.00 0.00 C ATOM 275 CG LYS D 19 -1.028 8.604 0.020 1.00 0.00 C ATOM 276 CD LYS D 19 -0.040 7.993 -0.883 1.00 0.00 C ATOM 277 CE LYS D 19 1.330 8.456 -0.466 1.00 0.00 C ATOM 278 NZ LYS D 19 2.396 8.055 -1.427 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.838 7.690 2.282 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.579 9.470 0.715 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.239 6.856 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.775 8.121 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.129 9.665 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.677 8.533 1.050 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.104 6.906 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.240 8.280 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.327 9.542 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.562 8.047 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 3.317 8.401 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 2.422 7.018 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 2.194 8.466 -2.361 1.00 0.00 H new ATOM 292 N LEU D 20 -4.275 6.575 1.875 1.00 0.00 N ATOM 293 CA LEU D 20 -5.192 5.486 2.009 1.00 0.00 C ATOM 294 C LEU D 20 -6.146 5.780 3.148 1.00 0.00 C ATOM 295 O LEU D 20 -7.359 5.604 3.045 1.00 0.00 O ATOM 296 CB LEU D 20 -4.375 4.247 2.318 1.00 0.00 C ATOM 297 CG LEU D 20 -3.282 3.939 1.292 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.473 2.728 1.706 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.885 3.729 -0.087 1.00 0.00 C ATOM 0 H LEU D 20 -3.471 6.513 2.499 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.773 5.340 1.099 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.913 4.366 3.298 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -5.046 3.391 2.384 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.611 4.797 1.250 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.704 2.532 0.959 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -2.002 2.917 2.671 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.130 1.862 1.786 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.091 3.511 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.584 2.893 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.413 4.632 -0.395 1.00 0.00 H new ATOM 311 N ASN D 21 -5.569 6.323 4.208 1.00 0.00 N ATOM 312 CA ASN D 21 -6.310 6.771 5.369 1.00 0.00 C ATOM 313 C ASN D 21 -7.057 8.057 5.055 1.00 0.00 C ATOM 314 O ASN D 21 -6.459 9.132 5.063 1.00 0.00 O ATOM 315 CB ASN D 21 -5.354 6.997 6.545 1.00 0.00 C ATOM 316 CG ASN D 21 -4.910 5.702 7.194 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.734 4.916 7.660 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.609 5.472 7.242 1.00 0.00 N ATOM 0 H ASN D 21 -4.562 6.465 4.284 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.034 6.002 5.639 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.478 7.543 6.196 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.843 7.623 7.291 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.258 4.619 7.676 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.957 6.148 6.844 1.00 0.00 H new ATOM 325 N LYS D 22 -8.302 7.942 4.595 1.00 0.00 N ATOM 326 CA LYS D 22 -8.992 9.127 4.079 1.00 0.00 C ATOM 327 C LYS D 22 -10.308 9.452 4.781 1.00 0.00 C ATOM 328 O LYS D 22 -10.618 10.624 4.986 1.00 0.00 O ATOM 329 CB LYS D 22 -9.208 8.995 2.575 1.00 0.00 C ATOM 330 CG LYS D 22 -7.899 8.965 1.799 1.00 0.00 C ATOM 331 CD LYS D 22 -8.115 8.834 0.302 1.00 0.00 C ATOM 332 CE LYS D 22 -8.939 9.983 -0.255 1.00 0.00 C ATOM 333 NZ LYS D 22 -8.274 11.299 -0.053 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.839 7.075 4.567 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.334 9.969 4.294 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.769 8.083 2.370 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.816 9.829 2.224 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.338 9.877 2.004 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.291 8.131 2.150 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.149 8.802 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -8.617 7.890 0.089 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.110 9.823 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -9.917 9.994 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -8.791 12.033 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -8.271 11.535 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -7.295 11.250 -0.400 1.00 0.00 H new ATOM 347 N GLY D 23 -11.119 8.450 5.086 1.00 0.00 N ATOM 348 CA GLY D 23 -12.399 8.727 5.683 1.00 0.00 C ATOM 349 C GLY D 23 -13.284 7.509 5.790 1.00 0.00 C ATOM 350 O GLY D 23 -13.209 6.785 6.783 1.00 0.00 O ATOM 0 H GLY D 23 -10.913 7.463 4.931 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.245 9.144 6.678 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.910 9.488 5.093 1.00 0.00 H new ATOM 354 N LYS D 24 -14.119 7.282 4.765 1.00 0.00 N ATOM 355 CA LYS D 24 -15.027 6.130 4.741 1.00 0.00 C ATOM 356 C LYS D 24 -14.230 4.878 5.046 1.00 0.00 C ATOM 357 O LYS D 24 -14.526 4.148 5.985 1.00 0.00 O ATOM 358 CB LYS D 24 -15.681 5.976 3.360 1.00 0.00 C ATOM 359 CG LYS D 24 -16.913 5.089 3.328 1.00 0.00 C ATOM 360 CD LYS D 24 -18.109 5.803 3.935 1.00 0.00 C ATOM 361 CE LYS D 24 -19.394 5.018 3.734 1.00 0.00 C ATOM 362 NZ LYS D 24 -20.581 5.743 4.260 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.183 7.882 3.943 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.810 6.284 5.483 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.954 6.965 2.992 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.942 5.571 2.668 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -17.136 4.806 2.299 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.717 4.168 3.876 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.939 5.956 5.001 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.211 6.790 3.484 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.534 4.818 2.672 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.310 4.052 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -21.435 5.171 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -20.461 5.912 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.678 6.654 3.767 1.00 0.00 H new ATOM 376 N GLY D 25 -13.172 4.696 4.275 1.00 0.00 N ATOM 377 CA GLY D 25 -12.271 3.597 4.471 1.00 0.00 C ATOM 378 C GLY D 25 -10.846 4.017 4.268 1.00 0.00 C ATOM 379 O GLY D 25 -10.580 5.110 3.760 1.00 0.00 O ATOM 0 H GLY D 25 -12.922 5.310 3.500 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.395 3.198 5.478 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.518 2.794 3.777 1.00 0.00 H new ATOM 383 N LYS D 26 -9.954 3.256 4.853 1.00 0.00 N ATOM 384 CA LYS D 26 -8.567 3.638 4.942 1.00 0.00 C ATOM 385 C LYS D 26 -7.666 2.419 4.941 1.00 0.00 C ATOM 386 O LYS D 26 -8.125 1.313 5.194 1.00 0.00 O ATOM 387 CB LYS D 26 -8.420 4.431 6.201 1.00 0.00 C ATOM 388 CG LYS D 26 -9.269 3.840 7.280 1.00 0.00 C ATOM 389 CD LYS D 26 -9.469 4.802 8.435 1.00 0.00 C ATOM 390 CE LYS D 26 -10.145 6.082 7.969 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.572 6.934 9.111 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.169 2.355 5.280 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.269 4.234 4.080 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.376 4.442 6.514 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.711 5.467 6.024 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.239 3.562 6.867 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.805 2.925 7.647 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.074 4.327 9.207 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.506 5.039 8.886 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.460 6.644 7.334 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -11.013 5.832 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -11.028 7.796 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -11.246 6.408 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.741 7.194 9.680 1.00 0.00 H new ATOM 405 N LEU D 27 -6.402 2.611 4.625 1.00 0.00 N ATOM 406 CA LEU D 27 -5.472 1.500 4.553 1.00 0.00 C ATOM 407 C LEU D 27 -4.130 1.838 5.198 1.00 0.00 C ATOM 408 O LEU D 27 -3.671 2.979 5.160 1.00 0.00 O ATOM 409 CB LEU D 27 -5.303 1.080 3.106 1.00 0.00 C ATOM 410 CG LEU D 27 -4.201 0.058 2.840 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.454 -1.234 3.608 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.086 -0.234 1.352 1.00 0.00 C ATOM 0 H LEU D 27 -5.995 3.522 4.414 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.883 0.665 5.120 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.249 0.668 2.753 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.100 1.970 2.510 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.261 0.486 3.188 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.653 -1.944 3.400 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.482 -1.022 4.677 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.408 -1.661 3.297 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.295 -0.965 1.185 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -5.032 -0.633 0.985 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.849 0.686 0.818 1.00 0.00 H new ATOM 424 N SER D 28 -3.537 0.836 5.826 1.00 0.00 N ATOM 425 CA SER D 28 -2.278 0.981 6.529 1.00 0.00 C ATOM 426 C SER D 28 -1.383 -0.188 6.183 1.00 0.00 C ATOM 427 O SER D 28 -1.846 -1.323 6.118 1.00 0.00 O ATOM 428 CB SER D 28 -2.529 0.989 8.038 1.00 0.00 C ATOM 429 OG SER D 28 -1.349 1.293 8.764 1.00 0.00 O ATOM 0 H SER D 28 -3.921 -0.108 5.861 1.00 0.00 H new ATOM 0 HA SER D 28 -1.802 1.917 6.235 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.301 1.721 8.275 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.907 0.015 8.349 1.00 0.00 H new ATOM 0 HG SER D 28 -1.546 1.291 9.724 1.00 0.00 H new ATOM 435 N LEU D 29 -0.111 0.075 5.940 1.00 0.00 N ATOM 436 CA LEU D 29 0.800 -0.995 5.585 1.00 0.00 C ATOM 437 C LEU D 29 2.144 -0.786 6.253 1.00 0.00 C ATOM 438 O LEU D 29 2.863 0.164 5.946 1.00 0.00 O ATOM 439 CB LEU D 29 0.978 -1.097 4.069 1.00 0.00 C ATOM 440 CG LEU D 29 -0.081 -0.371 3.226 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.220 1.118 3.150 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.177 -0.977 1.836 1.00 0.00 C ATOM 0 H LEU D 29 0.308 1.004 5.981 1.00 0.00 H new ATOM 0 HA LEU D 29 0.367 -1.931 5.938 1.00 0.00 H new ATOM 0 HB2 LEU D 29 1.959 -0.699 3.809 1.00 0.00 H new ATOM 0 HB3 LEU D 29 0.978 -2.151 3.791 1.00 0.00 H new ATOM 0 HG LEU D 29 -1.048 -0.497 3.714 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.542 1.613 2.548 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.221 1.541 4.155 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.198 1.269 2.692 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.934 -0.445 1.259 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.787 -0.893 1.335 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.454 -2.028 1.916 1.00 0.00 H new ATOM 454 N SER D 30 2.483 -1.684 7.152 1.00 0.00 N ATOM 455 CA SER D 30 3.746 -1.625 7.857 1.00 0.00 C ATOM 456 C SER D 30 4.515 -2.922 7.655 1.00 0.00 C ATOM 457 O SER D 30 4.099 -3.790 6.885 1.00 0.00 O ATOM 458 CB SER D 30 3.502 -1.363 9.346 1.00 0.00 C ATOM 459 OG SER D 30 2.666 -2.361 9.911 1.00 0.00 O ATOM 0 H SER D 30 1.893 -2.474 7.415 1.00 0.00 H new ATOM 0 HA SER D 30 4.343 -0.806 7.457 1.00 0.00 H new ATOM 0 HB2 SER D 30 4.455 -1.340 9.875 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.042 -0.383 9.475 1.00 0.00 H new ATOM 0 HG SER D 30 2.527 -2.171 10.862 1.00 0.00 H new ATOM 465 N MET D 31 5.625 -3.064 8.358 1.00 0.00 N ATOM 466 CA MET D 31 6.430 -4.268 8.263 1.00 0.00 C ATOM 467 C MET D 31 7.113 -4.568 9.580 1.00 0.00 C ATOM 468 O MET D 31 7.899 -3.772 10.096 1.00 0.00 O ATOM 469 CB MET D 31 7.457 -4.142 7.135 1.00 0.00 C ATOM 470 CG MET D 31 8.351 -2.917 7.246 1.00 0.00 C ATOM 471 SD MET D 31 9.494 -2.766 5.863 1.00 0.00 S ATOM 472 CE MET D 31 10.330 -1.240 6.279 1.00 0.00 C ATOM 0 H MET D 31 5.989 -2.360 9.001 1.00 0.00 H new ATOM 0 HA MET D 31 5.767 -5.102 8.031 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.082 -5.035 7.125 1.00 0.00 H new ATOM 0 HB3 MET D 31 6.931 -4.110 6.181 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.730 -2.023 7.299 1.00 0.00 H new ATOM 0 HG3 MET D 31 8.917 -2.968 8.176 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.072 -1.011 5.514 1.00 0.00 H new ATOM 0 HE2 MET D 31 9.603 -0.430 6.333 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.826 -1.348 7.244 1.00 0.00 H new ATOM 482 N ASN D 32 6.835 -5.746 10.092 1.00 0.00 N ATOM 483 CA ASN D 32 7.449 -6.206 11.323 1.00 0.00 C ATOM 484 C ASN D 32 8.708 -6.984 10.971 1.00 0.00 C ATOM 485 O ASN D 32 8.643 -8.176 10.670 1.00 0.00 O ATOM 486 CB ASN D 32 6.466 -7.097 12.096 1.00 0.00 C ATOM 487 CG ASN D 32 6.976 -7.483 13.472 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.015 -8.130 13.609 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.245 -7.087 14.503 1.00 0.00 N ATOM 0 H ASN D 32 6.183 -6.409 9.673 1.00 0.00 H new ATOM 0 HA ASN D 32 7.708 -5.357 11.955 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.515 -6.575 12.200 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.272 -8.001 11.519 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.537 -7.316 15.453 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.390 -6.553 14.347 1.00 0.00 H new ATOM 496 N GLY D 33 9.824 -6.275 10.861 1.00 0.00 N ATOM 497 CA GLY D 33 11.046 -6.898 10.371 1.00 0.00 C ATOM 498 C GLY D 33 10.979 -7.147 8.878 1.00 0.00 C ATOM 499 O GLY D 33 10.926 -6.205 8.085 1.00 0.00 O ATOM 0 H GLY D 33 9.909 -5.287 11.099 1.00 0.00 H new ATOM 0 HA2 GLY D 33 11.899 -6.257 10.597 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.209 -7.841 10.892 1.00 0.00 H new ATOM 503 N ASN D 34 10.888 -8.412 8.498 1.00 0.00 N ATOM 504 CA ASN D 34 10.726 -8.778 7.095 1.00 0.00 C ATOM 505 C ASN D 34 9.304 -9.243 6.821 1.00 0.00 C ATOM 506 O ASN D 34 9.011 -9.801 5.765 1.00 0.00 O ATOM 507 CB ASN D 34 11.725 -9.863 6.699 1.00 0.00 C ATOM 508 CG ASN D 34 13.151 -9.357 6.733 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.508 -8.445 5.991 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.967 -9.927 7.606 1.00 0.00 N ATOM 0 H ASN D 34 10.923 -9.204 9.140 1.00 0.00 H new ATOM 0 HA ASN D 34 10.922 -7.892 6.491 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.625 -10.712 7.375 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.491 -10.223 5.697 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.934 -9.611 7.682 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.629 -10.682 8.203 1.00 0.00 H new ATOM 517 N GLN D 35 8.415 -8.966 7.761 1.00 0.00 N ATOM 518 CA GLN D 35 7.012 -9.306 7.607 1.00 0.00 C ATOM 519 C GLN D 35 6.280 -8.158 6.925 1.00 0.00 C ATOM 520 O GLN D 35 6.696 -7.011 7.021 1.00 0.00 O ATOM 521 CB GLN D 35 6.388 -9.570 8.977 1.00 0.00 C ATOM 522 CG GLN D 35 4.944 -10.059 8.935 1.00 0.00 C ATOM 523 CD GLN D 35 4.772 -11.431 8.298 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.874 -12.125 8.042 1.00 0.00 O flip ATOM 525 NE2 GLN D 35 3.647 -11.878 8.076 1.00 0.00 N flip ATOM 0 H GLN D 35 8.643 -8.505 8.642 1.00 0.00 H new ATOM 0 HA GLN D 35 6.927 -10.205 6.996 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.993 -10.310 9.500 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.430 -8.652 9.563 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.552 -10.090 9.952 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.342 -9.336 8.384 1.00 0.00 H new ATOM 0 HE21 GLN D 35 2.824 -11.314 8.286 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.538 -12.812 7.682 1.00 0.00 H new ATOM 534 N LEU D 36 5.177 -8.471 6.273 1.00 0.00 N ATOM 535 CA LEU D 36 4.366 -7.466 5.607 1.00 0.00 C ATOM 536 C LEU D 36 2.984 -7.424 6.231 1.00 0.00 C ATOM 537 O LEU D 36 2.401 -8.467 6.536 1.00 0.00 O ATOM 538 CB LEU D 36 4.369 -7.764 4.103 1.00 0.00 C ATOM 539 CG LEU D 36 3.399 -6.999 3.174 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.955 -7.429 3.377 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.521 -5.494 3.369 1.00 0.00 C ATOM 0 H LEU D 36 4.818 -9.422 6.189 1.00 0.00 H new ATOM 0 HA LEU D 36 4.776 -6.464 5.737 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.380 -7.587 3.737 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.168 -8.828 3.980 1.00 0.00 H new ATOM 0 HG LEU D 36 3.686 -7.249 2.152 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.309 -6.865 2.704 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.859 -8.494 3.165 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.660 -7.237 4.408 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.827 -4.983 2.702 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.284 -5.241 4.402 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.540 -5.179 3.142 1.00 0.00 H new ATOM 553 N LYS D 37 2.585 -6.226 6.629 1.00 0.00 N ATOM 554 CA LYS D 37 1.410 -6.053 7.466 1.00 0.00 C ATOM 555 C LYS D 37 0.491 -4.984 6.894 1.00 0.00 C ATOM 556 O LYS D 37 0.857 -3.813 6.852 1.00 0.00 O ATOM 557 CB LYS D 37 1.872 -5.618 8.857 1.00 0.00 C ATOM 558 CG LYS D 37 2.958 -6.509 9.450 1.00 0.00 C ATOM 559 CD LYS D 37 2.476 -7.921 9.758 1.00 0.00 C ATOM 560 CE LYS D 37 1.337 -7.951 10.771 1.00 0.00 C ATOM 561 NZ LYS D 37 0.986 -9.345 11.158 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.060 -5.357 6.384 1.00 0.00 H new ATOM 0 HA LYS D 37 0.861 -6.994 7.512 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.244 -4.595 8.803 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.014 -5.610 9.529 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.795 -6.562 8.754 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.333 -6.052 10.366 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.147 -8.397 8.834 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.311 -8.509 10.140 1.00 0.00 H new ATOM 0 HE2 LYS D 37 1.624 -7.387 11.659 1.00 0.00 H new ATOM 0 HE3 LYS D 37 0.461 -7.458 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 0.208 -9.328 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 0.689 -9.875 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 1.815 -9.807 11.583 1.00 0.00 H new ATOM 575 N ALA D 38 -0.723 -5.359 6.530 1.00 0.00 N ATOM 576 CA ALA D 38 -1.686 -4.382 6.057 1.00 0.00 C ATOM 577 C ALA D 38 -2.930 -4.391 6.918 1.00 0.00 C ATOM 578 O ALA D 38 -3.322 -5.428 7.459 1.00 0.00 O ATOM 579 CB ALA D 38 -2.044 -4.637 4.606 1.00 0.00 C ATOM 0 H ALA D 38 -1.062 -6.321 6.552 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.227 -3.396 6.129 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.767 -3.892 4.273 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.146 -4.570 3.992 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.477 -5.632 4.508 1.00 0.00 H new ATOM 585 N THR D 39 -3.546 -3.227 7.027 1.00 0.00 N ATOM 586 CA THR D 39 -4.759 -3.048 7.799 1.00 0.00 C ATOM 587 C THR D 39 -5.637 -1.973 7.172 1.00 0.00 C ATOM 588 O THR D 39 -5.173 -0.875 6.892 1.00 0.00 O ATOM 589 CB THR D 39 -4.420 -2.669 9.248 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.435 -1.650 9.286 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.928 -3.824 10.091 1.00 0.00 C ATOM 0 H THR D 39 -3.214 -2.374 6.578 1.00 0.00 H new ATOM 0 HA THR D 39 -5.306 -3.991 7.800 1.00 0.00 H new ATOM 0 HB THR D 39 -5.363 -2.325 9.672 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.235 -1.423 10.218 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.711 -3.472 11.099 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.696 -4.596 10.134 1.00 0.00 H new ATOM 0 HG23 THR D 39 -3.022 -4.238 9.648 1.00 0.00 H new ATOM 599 N SER D 40 -6.929 -2.214 7.143 1.00 0.00 N ATOM 600 CA SER D 40 -7.870 -1.176 6.777 1.00 0.00 C ATOM 601 C SER D 40 -8.591 -0.759 8.022 1.00 0.00 C ATOM 602 O SER D 40 -9.097 -1.595 8.773 1.00 0.00 O ATOM 603 CB SER D 40 -8.863 -1.664 5.730 1.00 0.00 C ATOM 604 OG SER D 40 -9.842 -0.680 5.438 1.00 0.00 O ATOM 0 H SER D 40 -7.352 -3.115 7.367 1.00 0.00 H new ATOM 0 HA SER D 40 -7.334 -0.335 6.337 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.329 -1.929 4.817 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.353 -2.570 6.087 1.00 0.00 H new ATOM 0 HG SER D 40 -9.401 0.135 5.119 1.00 0.00 H new ATOM 610 N SER D 41 -8.604 0.523 8.270 1.00 0.00 N ATOM 611 CA SER D 41 -9.234 1.017 9.470 1.00 0.00 C ATOM 612 C SER D 41 -10.659 1.413 9.129 1.00 0.00 C ATOM 613 O SER D 41 -11.014 1.404 7.949 1.00 0.00 O ATOM 614 CB SER D 41 -8.431 2.176 10.067 1.00 0.00 C ATOM 615 OG SER D 41 -8.996 2.638 11.286 1.00 0.00 O ATOM 0 H SER D 41 -8.193 1.237 7.669 1.00 0.00 H new ATOM 0 HA SER D 41 -9.260 0.241 10.235 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.404 1.855 10.241 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.391 2.997 9.351 1.00 0.00 H new ATOM 0 HG SER D 41 -8.456 3.376 11.638 1.00 0.00 H new ATOM 621 N ASN D 42 -11.488 1.525 10.173 1.00 0.00 N ATOM 622 CA ASN D 42 -12.956 1.646 10.070 1.00 0.00 C ATOM 623 C ASN D 42 -13.565 0.253 9.928 1.00 0.00 C ATOM 624 O ASN D 42 -14.739 0.052 10.244 1.00 0.00 O ATOM 625 CB ASN D 42 -13.403 2.544 8.896 1.00 0.00 C ATOM 626 CG ASN D 42 -13.989 1.760 7.723 1.00 0.00 C ATOM 627 OD1 ASN D 42 -15.083 1.203 7.810 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.249 1.681 6.632 1.00 0.00 N ATOM 0 H ASN D 42 -11.154 1.535 11.137 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.312 2.126 10.982 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.146 3.256 9.255 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -12.549 3.124 8.546 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.580 1.146 5.829 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.347 2.155 6.592 1.00 0.00 H new ATOM 635 N ALA D 43 -12.719 -0.718 9.563 1.00 0.00 N ATOM 636 CA ALA D 43 -13.102 -2.128 9.491 1.00 0.00 C ATOM 637 C ALA D 43 -14.037 -2.439 8.315 1.00 0.00 C ATOM 638 O ALA D 43 -15.093 -3.045 8.512 1.00 0.00 O ATOM 639 CB ALA D 43 -13.724 -2.597 10.804 1.00 0.00 C ATOM 0 H ALA D 43 -11.747 -0.544 9.309 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.180 -2.682 9.317 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.999 -3.649 10.721 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.004 -2.473 11.613 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.614 -2.005 11.017 1.00 0.00 H new ATOM 645 N GLY D 44 -13.565 -2.232 7.082 1.00 0.00 N ATOM 646 CA GLY D 44 -14.307 -2.734 5.950 1.00 0.00 C ATOM 647 C GLY D 44 -14.617 -1.729 4.853 1.00 0.00 C ATOM 648 O GLY D 44 -14.612 -2.106 3.691 1.00 0.00 O ATOM 0 H GLY D 44 -12.702 -1.737 6.858 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.746 -3.559 5.511 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.248 -3.147 6.313 1.00 0.00 H new ATOM 652 N TYR D 45 -14.981 -0.500 5.190 1.00 0.00 N ATOM 653 CA TYR D 45 -15.394 0.469 4.166 1.00 0.00 C ATOM 654 C TYR D 45 -14.261 0.815 3.200 1.00 0.00 C ATOM 655 O TYR D 45 -13.088 0.804 3.573 1.00 0.00 O ATOM 656 CB TYR D 45 -15.924 1.748 4.817 1.00 0.00 C ATOM 657 CG TYR D 45 -17.266 1.585 5.517 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.695 0.342 5.968 1.00 0.00 C ATOM 659 CD2 TYR D 45 -18.095 2.678 5.746 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.904 0.193 6.617 1.00 0.00 C ATOM 661 CE2 TYR D 45 -19.307 2.533 6.394 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.706 1.288 6.826 1.00 0.00 C ATOM 663 OH TYR D 45 -20.909 1.138 7.475 1.00 0.00 O ATOM 0 H TYR D 45 -15.002 -0.147 6.147 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.189 -0.004 3.589 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -15.191 2.104 5.541 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -16.018 2.519 4.052 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.070 -0.524 5.807 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -17.786 3.657 5.412 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.218 -0.782 6.959 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -19.939 3.393 6.561 1.00 0.00 H new ATOM 0 HH TYR D 45 -21.355 2.008 7.543 1.00 0.00 H new ATOM 673 N GLY D 46 -14.640 1.255 2.001 1.00 0.00 N ATOM 674 CA GLY D 46 -13.669 1.765 1.045 1.00 0.00 C ATOM 675 C GLY D 46 -13.505 3.250 1.207 1.00 0.00 C ATOM 676 O GLY D 46 -14.149 3.819 2.069 1.00 0.00 O ATOM 0 H GLY D 46 -15.606 1.267 1.674 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.710 1.269 1.191 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.994 1.537 0.030 1.00 0.00 H new ATOM 680 N ILE D 47 -12.688 3.884 0.363 1.00 0.00 N ATOM 681 CA ILE D 47 -12.480 5.338 0.418 1.00 0.00 C ATOM 682 C ILE D 47 -13.793 6.044 0.555 1.00 0.00 C ATOM 683 O ILE D 47 -13.950 6.921 1.401 1.00 0.00 O ATOM 684 CB ILE D 47 -11.872 5.853 -0.878 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.626 5.081 -1.215 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.559 7.340 -0.787 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.576 5.112 -0.125 1.00 0.00 C ATOM 0 H ILE D 47 -12.157 3.414 -0.370 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.822 5.528 1.266 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.605 5.709 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.895 4.045 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.197 5.484 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.126 7.679 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.477 7.894 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.850 7.514 0.022 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.707 4.534 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.277 6.143 0.063 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.987 4.681 0.788 1.00 0.00 H new ATOM 699 N SER D 48 -14.700 5.616 -0.313 1.00 0.00 N ATOM 700 CA SER D 48 -16.067 6.105 -0.409 1.00 0.00 C ATOM 701 C SER D 48 -16.533 5.896 -1.848 1.00 0.00 C ATOM 702 O SER D 48 -16.093 4.947 -2.502 1.00 0.00 O ATOM 703 CB SER D 48 -16.171 7.578 0.023 1.00 0.00 C ATOM 704 OG SER D 48 -17.496 8.078 -0.075 1.00 0.00 O ATOM 0 H SER D 48 -14.494 4.888 -0.997 1.00 0.00 H new ATOM 0 HA SER D 48 -16.714 5.552 0.271 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.823 7.678 1.051 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.510 8.183 -0.597 1.00 0.00 H new ATOM 0 HG SER D 48 -17.514 9.015 0.210 1.00 0.00 H new ATOM 710 N TYR D 49 -17.310 6.826 -2.377 1.00 0.00 N ATOM 711 CA TYR D 49 -17.700 6.786 -3.780 1.00 0.00 C ATOM 712 C TYR D 49 -16.566 7.258 -4.680 1.00 0.00 C ATOM 713 O TYR D 49 -16.578 8.377 -5.197 1.00 0.00 O ATOM 714 CB TYR D 49 -18.961 7.627 -3.997 1.00 0.00 C ATOM 715 CG TYR D 49 -19.034 8.887 -3.127 1.00 0.00 C ATOM 716 CD1 TYR D 49 -17.957 9.771 -3.039 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.173 9.180 -2.367 1.00 0.00 C ATOM 718 CE1 TYR D 49 -18.012 10.891 -2.233 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.227 10.303 -1.565 1.00 0.00 C ATOM 720 CZ TYR D 49 -19.147 11.152 -1.499 1.00 0.00 C ATOM 721 OH TYR D 49 -19.200 12.265 -0.692 1.00 0.00 O ATOM 0 H TYR D 49 -17.685 7.620 -1.857 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.920 5.753 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.013 7.920 -5.046 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.836 7.009 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.063 9.575 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.024 8.516 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -17.166 11.561 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.117 10.514 -0.990 1.00 0.00 H new ATOM 0 HH TYR D 49 -20.071 12.303 -0.244 1.00 0.00 H new ATOM 731 N GLU D 50 -15.582 6.391 -4.861 1.00 0.00 N ATOM 732 CA GLU D 50 -14.426 6.703 -5.681 1.00 0.00 C ATOM 733 C GLU D 50 -14.057 5.571 -6.616 1.00 0.00 C ATOM 734 O GLU D 50 -14.666 4.501 -6.591 1.00 0.00 O ATOM 735 CB GLU D 50 -13.216 7.014 -4.809 1.00 0.00 C ATOM 736 CG GLU D 50 -13.240 8.380 -4.165 1.00 0.00 C ATOM 737 CD GLU D 50 -13.378 9.487 -5.181 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.567 9.527 -6.125 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.280 10.327 -5.026 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.563 5.459 -4.447 1.00 0.00 H new ATOM 0 HA GLU D 50 -14.703 7.573 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.145 6.259 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.315 6.929 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.068 8.432 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -12.324 8.526 -3.593 1.00 0.00 H new ATOM 746 N ASP D 51 -12.959 5.775 -7.337 1.00 0.00 N ATOM 747 CA ASP D 51 -12.383 4.735 -8.175 1.00 0.00 C ATOM 748 C ASP D 51 -10.893 4.948 -8.338 1.00 0.00 C ATOM 749 O ASP D 51 -10.450 5.999 -8.794 1.00 0.00 O ATOM 750 CB ASP D 51 -13.116 4.643 -9.506 1.00 0.00 C ATOM 751 CG ASP D 51 -12.832 5.802 -10.437 1.00 0.00 C ATOM 752 OD1 ASP D 51 -13.126 6.953 -10.060 1.00 0.00 O ATOM 753 OD2 ASP D 51 -12.329 5.560 -11.550 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.449 6.658 -7.356 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.512 3.771 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.836 3.713 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.188 4.594 -9.318 1.00 0.00 H new ATOM 758 N LYS D 52 -10.121 4.013 -7.774 1.00 0.00 N ATOM 759 CA LYS D 52 -8.685 4.175 -7.654 1.00 0.00 C ATOM 760 C LYS D 52 -8.002 2.947 -8.177 1.00 0.00 C ATOM 761 O LYS D 52 -8.403 1.837 -7.853 1.00 0.00 O ATOM 762 CB LYS D 52 -8.250 4.359 -6.205 1.00 0.00 C ATOM 763 CG LYS D 52 -9.070 5.350 -5.395 1.00 0.00 C ATOM 764 CD LYS D 52 -9.414 6.594 -6.175 1.00 0.00 C ATOM 765 CE LYS D 52 -9.942 7.708 -5.284 1.00 0.00 C ATOM 766 NZ LYS D 52 -8.959 8.118 -4.243 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.477 3.136 -7.395 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.412 5.063 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.288 3.390 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.209 4.682 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -9.990 4.869 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.515 5.629 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -8.528 6.945 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.161 6.351 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.197 8.571 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -10.862 7.378 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.200 9.067 -3.893 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.986 7.441 -3.454 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.004 8.133 -4.654 1.00 0.00 H new ATOM 780 N ASN D 53 -6.927 3.133 -8.896 1.00 0.00 N ATOM 781 CA ASN D 53 -6.139 2.001 -9.356 1.00 0.00 C ATOM 782 C ASN D 53 -4.772 2.013 -8.710 1.00 0.00 C ATOM 783 O ASN D 53 -4.171 3.073 -8.531 1.00 0.00 O ATOM 784 CB ASN D 53 -6.022 1.978 -10.876 1.00 0.00 C ATOM 785 CG ASN D 53 -7.337 1.646 -11.566 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.431 1.541 -10.806 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.376 1.508 -12.791 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.572 4.047 -9.178 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.657 1.090 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.671 2.950 -11.223 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.270 1.245 -11.166 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.522 1.595 -13.341 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.263 1.307 -13.254 1.00 0.00 H new ATOM 794 N TRP D 54 -4.373 0.861 -8.194 1.00 0.00 N ATOM 795 CA TRP D 54 -3.183 0.789 -7.372 1.00 0.00 C ATOM 796 C TRP D 54 -2.200 -0.275 -7.814 1.00 0.00 C ATOM 797 O TRP D 54 -2.581 -1.281 -8.415 1.00 0.00 O ATOM 798 CB TRP D 54 -3.559 0.509 -5.932 1.00 0.00 C ATOM 799 CG TRP D 54 -3.335 1.672 -5.058 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.030 2.842 -4.989 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.258 1.784 -4.169 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.440 3.669 -4.061 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.341 3.031 -3.549 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.232 0.921 -3.834 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.410 3.435 -2.607 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.324 1.320 -2.906 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.414 2.567 -2.301 1.00 0.00 C ATOM 0 H TRP D 54 -4.854 -0.028 -8.330 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.696 1.758 -7.478 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.608 0.218 -5.883 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.976 -0.336 -5.565 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -4.907 3.083 -5.572 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.766 4.599 -3.799 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.154 -0.050 -4.300 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.475 4.404 -2.134 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.483 0.656 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.327 2.852 -1.569 1.00 0.00 H new ATOM 818 N GLY D 55 -0.958 -0.116 -7.357 1.00 0.00 N ATOM 819 CA GLY D 55 0.037 -1.139 -7.563 1.00 0.00 C ATOM 820 C GLY D 55 1.125 -1.153 -6.498 1.00 0.00 C ATOM 821 O GLY D 55 1.356 -0.176 -5.787 1.00 0.00 O ATOM 0 H GLY D 55 -0.630 0.705 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.453 -2.112 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.498 -0.994 -8.540 1.00 0.00 H new ATOM 825 N ILE D 56 1.810 -2.273 -6.461 1.00 0.00 N ATOM 826 CA ILE D 56 2.946 -2.546 -5.577 1.00 0.00 C ATOM 827 C ILE D 56 4.047 -3.103 -6.459 1.00 0.00 C ATOM 828 O ILE D 56 3.821 -4.075 -7.177 1.00 0.00 O ATOM 829 CB ILE D 56 2.554 -3.602 -4.522 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.285 -3.164 -3.786 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.687 -3.826 -3.534 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.720 -4.224 -2.869 1.00 0.00 C ATOM 0 H ILE D 56 1.589 -3.061 -7.070 1.00 0.00 H new ATOM 0 HA ILE D 56 3.263 -1.644 -5.054 1.00 0.00 H new ATOM 0 HB ILE D 56 2.359 -4.544 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.504 -2.270 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.527 -2.888 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.387 -4.574 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.571 -4.175 -4.067 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.916 -2.890 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.178 -3.843 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.469 -5.111 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.461 -4.483 -2.113 1.00 0.00 H new ATOM 844 N PHE D 57 5.110 -2.344 -6.619 1.00 0.00 N ATOM 845 CA PHE D 57 6.064 -2.647 -7.670 1.00 0.00 C ATOM 846 C PHE D 57 7.360 -3.186 -7.102 1.00 0.00 C ATOM 847 O PHE D 57 8.257 -2.421 -6.750 1.00 0.00 O ATOM 848 CB PHE D 57 6.351 -1.410 -8.539 1.00 0.00 C ATOM 849 CG PHE D 57 5.119 -0.745 -9.098 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.254 -0.032 -8.279 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.808 -0.859 -10.439 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.121 0.544 -8.777 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.668 -0.269 -10.946 1.00 0.00 C ATOM 854 CZ PHE D 57 2.826 0.430 -10.110 1.00 0.00 C ATOM 0 H PHE D 57 5.335 -1.529 -6.049 1.00 0.00 H new ATOM 0 HA PHE D 57 5.613 -3.417 -8.296 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.904 -0.683 -7.944 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.998 -1.703 -9.366 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.482 0.069 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.462 -1.414 -11.096 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.458 1.089 -8.121 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.436 -0.355 -11.997 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.932 0.889 -10.506 1.00 0.00 H new ATOM 864 N VAL D 58 7.497 -4.504 -7.141 1.00 0.00 N ATOM 865 CA VAL D 58 8.738 -5.155 -6.763 1.00 0.00 C ATOM 866 C VAL D 58 9.718 -5.111 -7.930 1.00 0.00 C ATOM 867 O VAL D 58 9.543 -5.820 -8.925 1.00 0.00 O ATOM 868 CB VAL D 58 8.503 -6.621 -6.329 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.816 -7.333 -6.056 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.622 -6.674 -5.092 1.00 0.00 C ATOM 0 H VAL D 58 6.758 -5.144 -7.433 1.00 0.00 H new ATOM 0 HA VAL D 58 9.154 -4.617 -5.911 1.00 0.00 H new ATOM 0 HB VAL D 58 8.000 -7.132 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.616 -8.361 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.425 -7.333 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.351 -6.817 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.467 -7.713 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.107 -6.137 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.660 -6.211 -5.310 1.00 0.00 H new ATOM 880 N ASN D 59 10.698 -4.220 -7.827 1.00 0.00 N ATOM 881 CA ASN D 59 11.678 -3.993 -8.891 1.00 0.00 C ATOM 882 C ASN D 59 11.015 -3.465 -10.158 1.00 0.00 C ATOM 883 O ASN D 59 11.404 -3.827 -11.270 1.00 0.00 O ATOM 884 CB ASN D 59 12.477 -5.261 -9.214 1.00 0.00 C ATOM 885 CG ASN D 59 13.311 -5.744 -8.047 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.783 -6.122 -7.002 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.625 -5.731 -8.210 1.00 0.00 N ATOM 0 H ASN D 59 10.838 -3.633 -7.005 1.00 0.00 H new ATOM 0 HA ASN D 59 12.370 -3.239 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.789 -6.051 -9.514 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.130 -5.066 -10.065 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.236 -6.041 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN D 59 15.026 -5.411 -9.091 1.00 0.00 H new ATOM 894 N GLY D 60 10.112 -2.507 -9.992 1.00 0.00 N ATOM 895 CA GLY D 60 9.541 -1.826 -11.140 1.00 0.00 C ATOM 896 C GLY D 60 8.223 -2.393 -11.606 1.00 0.00 C ATOM 897 O GLY D 60 7.408 -1.680 -12.189 1.00 0.00 O ATOM 0 H GLY D 60 9.765 -2.190 -9.087 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.403 -0.774 -10.892 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.253 -1.868 -11.964 1.00 0.00 H new ATOM 901 N GLU D 61 8.063 -3.688 -11.461 1.00 0.00 N ATOM 902 CA GLU D 61 6.883 -4.357 -11.996 1.00 0.00 C ATOM 903 C GLU D 61 5.750 -4.409 -10.976 1.00 0.00 C ATOM 904 O GLU D 61 5.962 -4.711 -9.800 1.00 0.00 O ATOM 905 CB GLU D 61 7.235 -5.767 -12.483 1.00 0.00 C ATOM 906 CG GLU D 61 7.792 -6.678 -11.403 1.00 0.00 C ATOM 907 CD GLU D 61 8.113 -8.054 -11.926 1.00 0.00 C ATOM 908 OE1 GLU D 61 7.198 -8.722 -12.437 1.00 0.00 O ATOM 909 OE2 GLU D 61 9.283 -8.465 -11.830 1.00 0.00 O1- ATOM 0 H GLU D 61 8.724 -4.301 -10.983 1.00 0.00 H new ATOM 0 HA GLU D 61 6.533 -3.771 -12.846 1.00 0.00 H new ATOM 0 HB2 GLU D 61 6.342 -6.227 -12.905 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.965 -5.689 -13.289 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.694 -6.232 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU D 61 7.069 -6.760 -10.591 1.00 0.00 H new ATOM 916 N LYS D 62 4.545 -4.119 -11.447 1.00 0.00 N ATOM 917 CA LYS D 62 3.357 -4.138 -10.603 1.00 0.00 C ATOM 918 C LYS D 62 2.954 -5.579 -10.308 1.00 0.00 C ATOM 919 O LYS D 62 2.583 -6.322 -11.216 1.00 0.00 O ATOM 920 CB LYS D 62 2.214 -3.398 -11.310 1.00 0.00 C ATOM 921 CG LYS D 62 0.910 -3.342 -10.525 1.00 0.00 C ATOM 922 CD LYS D 62 -0.171 -2.599 -11.306 1.00 0.00 C ATOM 923 CE LYS D 62 -0.483 -3.294 -12.626 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.494 -2.556 -13.437 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.363 -3.865 -12.418 1.00 0.00 H new ATOM 0 HA LYS D 62 3.573 -3.637 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.537 -2.379 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.025 -3.881 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.572 -4.354 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.078 -2.846 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -1.077 -2.535 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.156 -1.577 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.435 -3.398 -13.204 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -0.849 -4.301 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.670 -3.070 -14.324 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -2.381 -2.479 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.137 -1.604 -13.654 1.00 0.00 H new ATOM 938 N VAL D 63 3.124 -5.998 -9.061 1.00 0.00 N ATOM 939 CA VAL D 63 2.875 -7.380 -8.689 1.00 0.00 C ATOM 940 C VAL D 63 1.453 -7.592 -8.164 1.00 0.00 C ATOM 941 O VAL D 63 0.880 -8.669 -8.337 1.00 0.00 O ATOM 942 CB VAL D 63 3.898 -7.877 -7.657 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.310 -7.763 -8.212 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.781 -7.127 -6.337 1.00 0.00 C ATOM 0 H VAL D 63 3.432 -5.401 -8.294 1.00 0.00 H new ATOM 0 HA VAL D 63 2.985 -7.968 -9.600 1.00 0.00 H new ATOM 0 HB VAL D 63 3.680 -8.926 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.023 -8.119 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.396 -8.367 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.524 -6.721 -8.450 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.522 -7.509 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.955 -6.064 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.782 -7.270 -5.924 1.00 0.00 H new ATOM 954 N TYR D 64 0.872 -6.561 -7.555 1.00 0.00 N ATOM 955 CA TYR D 64 -0.495 -6.653 -7.051 1.00 0.00 C ATOM 956 C TYR D 64 -1.280 -5.389 -7.389 1.00 0.00 C ATOM 957 O TYR D 64 -0.821 -4.276 -7.114 1.00 0.00 O ATOM 958 CB TYR D 64 -0.508 -6.878 -5.536 1.00 0.00 C ATOM 959 CG TYR D 64 -1.897 -7.100 -4.974 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.386 -6.333 -3.926 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.721 -8.089 -5.497 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.652 -6.543 -3.418 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.989 -8.304 -4.995 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.450 -7.528 -3.955 1.00 0.00 C ATOM 965 OH TYR D 64 -5.712 -7.737 -3.452 1.00 0.00 O ATOM 0 H TYR D 64 1.322 -5.659 -7.400 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.969 -7.507 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.114 -7.741 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.058 -6.016 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.765 -5.558 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.363 -8.701 -6.312 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.016 -5.936 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.616 -9.076 -5.416 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.143 -8.468 -3.943 1.00 0.00 H new ATOM 975 N THR D 65 -2.487 -5.567 -7.915 1.00 0.00 N ATOM 976 CA THR D 65 -3.369 -4.450 -8.208 1.00 0.00 C ATOM 977 C THR D 65 -4.607 -4.503 -7.323 1.00 0.00 C ATOM 978 O THR D 65 -5.397 -5.447 -7.401 1.00 0.00 O ATOM 979 CB THR D 65 -3.791 -4.456 -9.660 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.668 -4.471 -10.524 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.660 -3.268 -10.047 1.00 0.00 C ATOM 0 H THR D 65 -2.876 -6.481 -8.147 1.00 0.00 H new ATOM 0 HA THR D 65 -2.817 -3.532 -8.006 1.00 0.00 H new ATOM 0 HB THR D 65 -4.380 -5.366 -9.773 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.972 -4.476 -11.456 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.924 -3.339 -11.102 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.568 -3.270 -9.444 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.111 -2.343 -9.872 1.00 0.00 H new ATOM 989 N PHE D 66 -4.838 -3.436 -6.580 1.00 0.00 N ATOM 990 CA PHE D 66 -6.060 -3.308 -5.802 1.00 0.00 C ATOM 991 C PHE D 66 -6.672 -1.949 -6.047 1.00 0.00 C ATOM 992 O PHE D 66 -5.977 -0.986 -6.348 1.00 0.00 O ATOM 993 CB PHE D 66 -5.814 -3.571 -4.313 1.00 0.00 C ATOM 994 CG PHE D 66 -4.874 -2.634 -3.594 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.260 -1.341 -3.282 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.610 -3.058 -3.206 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.413 -0.495 -2.599 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.755 -2.211 -2.525 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.159 -0.927 -2.219 1.00 0.00 C ATOM 0 H PHE D 66 -4.198 -2.646 -6.498 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.768 -4.069 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.776 -3.543 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.427 -4.584 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.238 -0.991 -3.578 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.290 -4.063 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.732 0.509 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.773 -2.553 -2.233 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.496 -0.263 -1.684 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.976 -1.882 -5.979 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.667 -0.641 -6.237 1.00 0.00 C ATOM 1011 C ASN D 67 -9.408 -0.224 -4.991 1.00 0.00 C ATOM 1012 O ASN D 67 -10.018 -1.058 -4.339 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.606 -0.777 -7.447 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.605 -1.907 -7.324 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.229 -3.067 -7.157 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -11.882 -1.585 -7.443 1.00 0.00 N ATOM 0 H ASN D 67 -8.582 -2.669 -5.748 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.946 0.136 -6.489 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.147 0.160 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.007 -0.931 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -12.597 -2.311 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -12.152 -0.611 -7.580 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.243 1.034 -4.591 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.800 1.518 -3.323 1.00 0.00 C ATOM 1025 C GLU D 68 -11.315 1.373 -3.293 1.00 0.00 C ATOM 1026 O GLU D 68 -11.922 1.276 -2.226 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.428 2.968 -3.093 1.00 0.00 C ATOM 1028 CG GLU D 68 -7.938 3.239 -3.095 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.213 2.521 -1.983 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.522 2.795 -0.807 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.345 1.690 -2.288 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.730 1.738 -5.122 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.375 0.906 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -9.897 3.578 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.842 3.290 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.519 2.933 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.768 4.312 -3.001 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.885 1.218 -4.481 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.294 0.901 -4.640 1.00 0.00 C ATOM 1040 C LYS D 69 -13.571 -0.396 -3.933 1.00 0.00 C ATOM 1041 O LYS D 69 -14.364 -0.465 -2.993 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.582 0.693 -6.104 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.128 1.845 -6.957 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.478 1.594 -8.417 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.979 1.456 -8.618 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.329 1.098 -10.019 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.380 1.309 -5.362 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.906 1.707 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.089 -0.219 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.653 0.545 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.600 2.766 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.052 1.981 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.103 2.415 -9.028 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.980 0.687 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.365 0.693 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.467 2.394 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.362 1.015 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.984 1.838 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -14.886 0.190 -10.266 1.00 0.00 H new ATOM 1060 N SER D 70 -12.746 -1.368 -4.289 1.00 0.00 N ATOM 1061 CA SER D 70 -12.697 -2.616 -3.592 1.00 0.00 C ATOM 1062 C SER D 70 -12.207 -2.368 -2.183 1.00 0.00 C ATOM 1063 O SER D 70 -11.036 -2.057 -1.977 1.00 0.00 O ATOM 1064 CB SER D 70 -11.775 -3.577 -4.312 1.00 0.00 C ATOM 1065 OG SER D 70 -12.249 -3.864 -5.618 1.00 0.00 O ATOM 0 H SER D 70 -12.096 -1.301 -5.072 1.00 0.00 H new ATOM 0 HA SER D 70 -13.692 -3.061 -3.558 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.774 -3.149 -4.372 1.00 0.00 H new ATOM 0 HB3 SER D 70 -11.692 -4.502 -3.741 1.00 0.00 H new ATOM 0 HG SER D 70 -11.488 -3.959 -6.229 1.00 0.00 H new ATOM 1071 N THR D 71 -13.152 -2.387 -1.259 1.00 0.00 N ATOM 1072 CA THR D 71 -12.923 -2.050 0.135 1.00 0.00 C ATOM 1073 C THR D 71 -11.532 -2.437 0.611 1.00 0.00 C ATOM 1074 O THR D 71 -11.185 -3.624 0.633 1.00 0.00 O ATOM 1075 CB THR D 71 -13.965 -2.754 0.975 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.885 -4.160 0.813 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.385 -2.336 0.650 1.00 0.00 C ATOM 0 H THR D 71 -14.119 -2.642 -1.461 1.00 0.00 H new ATOM 0 HA THR D 71 -13.001 -0.968 0.239 1.00 0.00 H new ATOM 0 HB THR D 71 -13.743 -2.463 2.002 1.00 0.00 H new ATOM 0 HG1 THR D 71 -12.972 -4.408 0.557 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.080 -2.880 1.290 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.497 -1.265 0.820 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.601 -2.562 -0.394 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.758 -1.432 1.038 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.438 -1.647 1.579 1.00 0.00 C ATOM 1087 C VAL D 72 -9.450 -2.662 2.711 1.00 0.00 C ATOM 1088 O VAL D 72 -8.425 -3.258 3.031 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.758 -0.334 2.035 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.658 0.010 1.057 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.742 0.832 2.104 1.00 0.00 C ATOM 0 H VAL D 72 -11.042 -0.453 1.012 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.843 -2.053 0.761 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.360 -0.493 3.037 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.171 0.934 1.368 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.925 -0.797 1.035 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -8.084 0.141 0.062 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.218 1.731 2.429 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.176 1.001 1.118 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.535 0.597 2.814 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.643 -2.950 3.212 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.820 -3.995 4.177 1.00 0.00 C ATOM 1103 C GLY D 73 -10.546 -5.362 3.611 1.00 0.00 C ATOM 1104 O GLY D 73 -9.562 -6.002 3.971 1.00 0.00 O ATOM 0 H GLY D 73 -11.502 -2.463 2.955 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.157 -3.818 5.024 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.841 -3.962 4.559 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.443 -5.820 2.744 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.334 -7.152 2.145 1.00 0.00 C ATOM 1110 C ASN D 74 -10.074 -7.281 1.319 1.00 0.00 C ATOM 1111 O ASN D 74 -9.533 -8.373 1.171 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.553 -7.454 1.267 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.853 -7.483 2.054 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.200 -6.516 2.732 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.593 -8.582 1.954 1.00 0.00 N ATOM 0 H ASN D 74 -12.258 -5.288 2.437 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.292 -7.873 2.961 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.625 -6.701 0.482 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.411 -8.416 0.774 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.483 -8.645 2.449 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.272 -9.363 1.382 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.574 -6.157 0.839 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.327 -6.150 0.094 1.00 0.00 C ATOM 1124 C ILE D 75 -7.141 -6.349 1.011 1.00 0.00 C ATOM 1125 O ILE D 75 -6.209 -7.066 0.680 1.00 0.00 O ATOM 1126 CB ILE D 75 -8.163 -4.854 -0.688 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -9.217 -4.789 -1.802 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.756 -4.730 -1.247 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -9.131 -5.954 -2.764 1.00 0.00 C ATOM 0 H ILE D 75 -10.009 -5.241 0.950 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.366 -6.981 -0.610 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.316 -4.010 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -10.211 -4.767 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.096 -3.858 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.666 -3.796 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -6.037 -4.737 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.554 -5.568 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.901 -5.852 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.149 -5.964 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -9.281 -6.887 -2.220 1.00 0.00 H new ATOM 1141 N SER D 76 -7.199 -5.765 2.188 1.00 0.00 N ATOM 1142 CA SER D 76 -6.138 -5.962 3.161 1.00 0.00 C ATOM 1143 C SER D 76 -6.216 -7.351 3.771 1.00 0.00 C ATOM 1144 O SER D 76 -5.182 -7.960 4.043 1.00 0.00 O ATOM 1145 CB SER D 76 -6.178 -4.876 4.228 1.00 0.00 C ATOM 1146 OG SER D 76 -5.252 -5.133 5.262 1.00 0.00 O ATOM 0 H SER D 76 -7.958 -5.157 2.495 1.00 0.00 H new ATOM 0 HA SER D 76 -5.180 -5.884 2.648 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.959 -3.910 3.774 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.183 -4.811 4.646 1.00 0.00 H new ATOM 0 HG SER D 76 -5.734 -5.373 6.081 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.406 -7.948 3.727 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.522 -9.373 4.006 1.00 0.00 C ATOM 1154 C ASN D 77 -6.730 -10.154 2.971 1.00 0.00 C ATOM 1155 O ASN D 77 -6.195 -11.217 3.270 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.979 -9.849 4.014 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.756 -9.376 5.228 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.232 -10.320 6.028 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -9.926 -8.181 5.453 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.284 -7.478 3.506 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.120 -9.550 5.004 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.476 -9.493 3.111 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.999 -10.938 3.980 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -9.545 -7.483 4.815 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.448 -7.887 6.278 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.579 -9.564 1.779 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.748 -10.151 0.728 1.00 0.00 C ATOM 1168 C ASP D 78 -4.278 -9.809 0.904 1.00 0.00 C ATOM 1169 O ASP D 78 -3.409 -10.589 0.530 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.195 -9.707 -0.670 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.540 -10.269 -1.061 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.688 -11.506 -1.058 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.439 -9.478 -1.400 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.022 -8.682 1.521 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.875 -11.230 0.819 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.238 -8.618 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.449 -10.020 -1.401 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.985 -8.608 1.352 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.601 -8.162 1.414 1.00 0.00 C ATOM 1180 C ILE D 79 -1.814 -8.973 2.438 1.00 0.00 C ATOM 1181 O ILE D 79 -0.596 -9.117 2.330 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.511 -6.649 1.731 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.428 -5.895 0.778 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -1.078 -6.152 1.563 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.498 -4.405 1.023 1.00 0.00 C ATOM 0 H ILE D 79 -4.672 -7.927 1.676 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.157 -8.326 0.432 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.817 -6.478 2.763 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -3.090 -6.067 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.433 -6.311 0.855 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -1.033 -5.087 1.790 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.422 -6.696 2.243 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.753 -6.318 0.536 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -4.173 -3.949 0.299 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.867 -4.219 2.031 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.504 -3.971 0.915 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.526 -9.563 3.385 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.908 -10.418 4.376 1.00 0.00 C ATOM 1199 C ASN D 80 -1.475 -11.762 3.797 1.00 0.00 C ATOM 1200 O ASN D 80 -0.430 -12.284 4.187 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.843 -10.606 5.565 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.938 -9.351 6.409 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.933 -8.879 6.943 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -4.131 -8.799 6.535 1.00 0.00 N ATOM 0 H ASN D 80 -3.536 -9.462 3.485 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.999 -9.922 4.717 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.836 -10.880 5.207 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.487 -11.432 6.181 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -4.245 -7.951 7.090 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.939 -9.221 6.077 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.195 -12.279 2.798 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.749 -13.499 2.137 1.00 0.00 C ATOM 1213 C LYS D 81 -0.675 -13.200 1.095 1.00 0.00 C ATOM 1214 O LYS D 81 0.393 -13.805 1.129 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.889 -14.306 1.505 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.827 -13.506 0.634 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.048 -13.086 1.411 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.905 -14.268 1.834 1.00 0.00 C ATOM 1219 NZ LYS D 81 -7.111 -13.822 2.578 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.064 -11.883 2.440 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.324 -14.121 2.925 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.458 -15.109 0.908 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.467 -14.775 2.301 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.313 -12.625 0.251 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.126 -14.101 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.738 -12.531 2.296 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.646 -12.407 0.803 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -6.207 -14.834 0.953 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -5.318 -14.941 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.289 -14.471 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.957 -12.861 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.932 -13.821 1.940 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.938 -12.230 0.206 1.00 0.00 N ATOM 1234 CA LEU D 82 0.031 -11.810 -0.804 1.00 0.00 C ATOM 1235 C LEU D 82 1.419 -11.581 -0.211 1.00 0.00 C ATOM 1236 O LEU D 82 2.424 -11.907 -0.845 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.465 -10.556 -1.494 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.491 -10.795 -2.604 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.839 -11.463 -3.801 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.670 -11.632 -2.141 1.00 0.00 C ATOM 0 H LEU D 82 -1.822 -11.722 0.171 1.00 0.00 H new ATOM 0 HA LEU D 82 0.126 -12.616 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.907 -9.898 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.390 -10.029 -1.917 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.871 -9.814 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.585 -11.624 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.045 -10.824 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.418 -12.422 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.366 -11.770 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.314 -12.604 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.178 -11.124 -1.321 1.00 0.00 H new ATOM 1252 N ASN D 83 1.441 -11.130 1.052 1.00 0.00 N ATOM 1253 CA ASN D 83 2.674 -10.966 1.835 1.00 0.00 C ATOM 1254 C ASN D 83 3.772 -10.320 0.991 1.00 0.00 C ATOM 1255 O ASN D 83 4.793 -10.943 0.698 1.00 0.00 O ATOM 1256 CB ASN D 83 3.135 -12.334 2.368 1.00 0.00 C ATOM 1257 CG ASN D 83 4.287 -12.267 3.363 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.726 -11.065 3.715 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 4.767 -13.300 3.832 1.00 0.00 N flip ATOM 0 H ASN D 83 0.598 -10.867 1.562 1.00 0.00 H new ATOM 0 HA ASN D 83 2.469 -10.306 2.678 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.288 -12.829 2.844 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.435 -12.956 1.525 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.406 -14.208 3.540 1.00 0.00 H new ATOM 0 HD22 ASN D 83 5.525 -13.247 4.512 1.00 0.00 H new ATOM 1266 N ILE D 84 3.524 -9.104 0.529 1.00 0.00 N ATOM 1267 CA ILE D 84 4.467 -8.446 -0.355 1.00 0.00 C ATOM 1268 C ILE D 84 5.424 -7.566 0.427 1.00 0.00 C ATOM 1269 O ILE D 84 5.094 -6.440 0.793 1.00 0.00 O ATOM 1270 CB ILE D 84 3.744 -7.613 -1.430 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.752 -8.492 -2.193 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.748 -6.997 -2.396 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.983 -7.746 -3.257 1.00 0.00 C ATOM 0 H ILE D 84 2.689 -8.561 0.749 1.00 0.00 H new ATOM 0 HA ILE D 84 5.039 -9.227 -0.855 1.00 0.00 H new ATOM 0 HB ILE D 84 3.200 -6.807 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE D 84 3.292 -9.317 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.047 -8.930 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.218 -6.412 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.430 -6.348 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.315 -7.789 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.298 -8.430 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.416 -6.937 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.679 -7.331 -3.986 1.00 0.00 H new ATOM 1285 N LYS D 85 6.610 -8.092 0.689 1.00 0.00 N ATOM 1286 CA LYS D 85 7.603 -7.362 1.442 1.00 0.00 C ATOM 1287 C LYS D 85 8.985 -7.657 0.874 1.00 0.00 C ATOM 1288 O LYS D 85 9.647 -8.615 1.278 1.00 0.00 O ATOM 1289 CB LYS D 85 7.515 -7.769 2.921 1.00 0.00 C ATOM 1290 CG LYS D 85 8.206 -6.823 3.899 1.00 0.00 C ATOM 1291 CD LYS D 85 9.712 -6.787 3.698 1.00 0.00 C ATOM 1292 CE LYS D 85 10.393 -5.779 4.609 1.00 0.00 C ATOM 1293 NZ LYS D 85 11.855 -5.693 4.344 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.903 -9.022 0.389 1.00 0.00 H new ATOM 0 HA LYS D 85 7.422 -6.290 1.366 1.00 0.00 H new ATOM 0 HB2 LYS D 85 6.464 -7.847 3.198 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.949 -8.763 3.034 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.801 -5.818 3.777 1.00 0.00 H new ATOM 0 HG3 LYS D 85 7.985 -7.134 4.920 1.00 0.00 H new ATOM 0 HD2 LYS D 85 10.125 -7.778 3.885 1.00 0.00 H new ATOM 0 HD3 LYS D 85 9.932 -6.541 2.659 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.940 -4.798 4.468 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.228 -6.060 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 12.284 -4.995 4.985 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 12.292 -6.623 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 12.013 -5.400 3.359 1.00 0.00 H new ATOM 1307 N GLY D 86 9.436 -6.789 -0.014 1.00 0.00 N ATOM 1308 CA GLY D 86 10.767 -6.907 -0.575 1.00 0.00 C ATOM 1309 C GLY D 86 10.884 -7.980 -1.632 1.00 0.00 C ATOM 1310 O GLY D 86 10.151 -8.971 -1.616 1.00 0.00 O ATOM 0 H GLY D 86 8.899 -5.995 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.056 -5.949 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.473 -7.121 0.228 1.00 0.00 H new ATOM 1314 N PRO D 87 11.816 -7.800 -2.574 1.00 0.00 N ATOM 1315 CA PRO D 87 12.692 -6.630 -2.609 1.00 0.00 C ATOM 1316 C PRO D 87 12.084 -5.468 -3.394 1.00 0.00 C ATOM 1317 O PRO D 87 10.976 -5.595 -3.900 1.00 0.00 O ATOM 1318 CB PRO D 87 13.915 -7.182 -3.316 1.00 0.00 C ATOM 1319 CG PRO D 87 13.366 -8.157 -4.301 1.00 0.00 C ATOM 1320 CD PRO D 87 12.096 -8.721 -3.689 1.00 0.00 C ATOM 0 HA PRO D 87 12.889 -6.213 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.478 -6.391 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.595 -7.666 -2.615 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.154 -7.669 -5.253 1.00 0.00 H new ATOM 0 HG3 PRO D 87 14.085 -8.951 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.278 -8.741 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.238 -9.744 -3.339 1.00 0.00 H new ATOM 1328 N TYR D 88 12.814 -4.342 -3.435 1.00 0.00 N ATOM 1329 CA TYR D 88 12.391 -3.088 -4.102 1.00 0.00 C ATOM 1330 C TYR D 88 10.877 -2.914 -4.133 1.00 0.00 C ATOM 1331 O TYR D 88 10.205 -3.395 -5.037 1.00 0.00 O ATOM 1332 CB TYR D 88 12.939 -3.017 -5.534 1.00 0.00 C ATOM 1333 CG TYR D 88 14.447 -2.883 -5.617 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.021 -1.885 -6.391 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.292 -3.742 -4.927 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.392 -1.744 -6.470 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.663 -3.609 -5.003 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.208 -2.607 -5.775 1.00 0.00 C ATOM 1339 OH TYR D 88 18.572 -2.462 -5.842 1.00 0.00 O ATOM 0 H TYR D 88 13.733 -4.270 -2.999 1.00 0.00 H new ATOM 0 HA TYR D 88 12.807 -2.276 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.635 -3.915 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.482 -2.169 -6.044 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.385 -1.207 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.868 -4.528 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.822 -0.960 -7.075 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.305 -4.287 -4.460 1.00 0.00 H new ATOM 0 HH TYR D 88 19.002 -3.151 -5.293 1.00 0.00 H new ATOM 1349 N ILE D 89 10.346 -2.259 -3.118 1.00 0.00 N ATOM 1350 CA ILE D 89 8.907 -2.084 -2.993 1.00 0.00 C ATOM 1351 C ILE D 89 8.483 -0.736 -3.519 1.00 0.00 C ATOM 1352 O ILE D 89 9.052 0.298 -3.161 1.00 0.00 O ATOM 1353 CB ILE D 89 8.442 -2.212 -1.518 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.943 -3.519 -0.899 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.932 -2.152 -1.422 1.00 0.00 C ATOM 1356 CD1 ILE D 89 10.394 -3.478 -0.464 1.00 0.00 C ATOM 0 H ILE D 89 10.889 -1.837 -2.365 1.00 0.00 H new ATOM 0 HA ILE D 89 8.441 -2.874 -3.582 1.00 0.00 H new ATOM 0 HB ILE D 89 8.866 -1.374 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.322 -3.762 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE D 89 8.814 -4.325 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.630 -2.244 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.580 -1.200 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.498 -2.969 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.673 -4.441 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE D 89 11.027 -3.267 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE D 89 10.528 -2.696 0.284 1.00 0.00 H new ATOM 1368 N GLU D 90 7.402 -0.744 -4.263 1.00 0.00 N ATOM 1369 CA GLU D 90 6.802 0.492 -4.721 1.00 0.00 C ATOM 1370 C GLU D 90 5.290 0.436 -4.526 1.00 0.00 C ATOM 1371 O GLU D 90 4.543 0.032 -5.408 1.00 0.00 O ATOM 1372 CB GLU D 90 7.172 0.743 -6.184 1.00 0.00 C ATOM 1373 CG GLU D 90 6.688 2.071 -6.735 1.00 0.00 C ATOM 1374 CD GLU D 90 7.147 2.296 -8.157 1.00 0.00 C ATOM 1375 OE1 GLU D 90 6.747 3.312 -8.753 1.00 0.00 O ATOM 1376 OE2 GLU D 90 7.922 1.465 -8.670 1.00 0.00 O1- ATOM 0 H GLU D 90 6.919 -1.590 -4.565 1.00 0.00 H new ATOM 0 HA GLU D 90 7.186 1.325 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.256 0.695 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.759 -0.061 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU D 90 5.599 2.104 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU D 90 7.054 2.880 -6.104 1.00 0.00 H new ATOM 1383 N ILE D 91 4.866 0.828 -3.347 1.00 0.00 N ATOM 1384 CA ILE D 91 3.468 0.830 -2.965 1.00 0.00 C ATOM 1385 C ILE D 91 2.878 2.231 -3.174 1.00 0.00 C ATOM 1386 O ILE D 91 3.043 3.110 -2.325 1.00 0.00 O ATOM 1387 CB ILE D 91 3.350 0.379 -1.478 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.815 -1.064 -1.322 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.954 0.522 -0.909 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.629 -1.611 0.077 1.00 0.00 C ATOM 0 H ILE D 91 5.491 1.160 -2.613 1.00 0.00 H new ATOM 0 HA ILE D 91 2.904 0.134 -3.585 1.00 0.00 H new ATOM 0 HB ILE D 91 3.995 1.050 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.267 -1.692 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.869 -1.129 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.948 0.189 0.129 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.647 1.567 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.261 -0.087 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE D 91 3.981 -2.642 0.114 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.199 -1.007 0.783 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.572 -1.579 0.343 1.00 0.00 H new ATOM 1402 N LYS D 92 2.166 2.433 -4.296 1.00 0.00 N ATOM 1403 CA LYS D 92 1.531 3.726 -4.570 1.00 0.00 C ATOM 1404 C LYS D 92 0.443 3.574 -5.632 1.00 0.00 C ATOM 1405 O LYS D 92 0.424 2.581 -6.364 1.00 0.00 O ATOM 1406 CB LYS D 92 2.568 4.779 -5.016 1.00 0.00 C ATOM 1407 CG LYS D 92 2.733 4.949 -6.530 1.00 0.00 C ATOM 1408 CD LYS D 92 3.225 3.704 -7.258 1.00 0.00 C ATOM 1409 CE LYS D 92 3.228 3.953 -8.766 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.171 3.070 -9.500 1.00 0.00 N1+ ATOM 0 H LYS D 92 2.019 1.726 -5.016 1.00 0.00 H new ATOM 0 HA LYS D 92 1.074 4.074 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.287 5.742 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.536 4.512 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.775 5.248 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.433 5.764 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.229 3.447 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.583 2.856 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.221 3.803 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.491 4.994 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.116 3.274 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 5.140 3.242 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.918 2.075 -9.332 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.410 4.587 -5.780 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.410 4.553 -6.836 1.00 0.00 C ATOM 1426 C GLN D 93 -0.790 4.916 -8.168 1.00 0.00 C ATOM 1427 O GLN D 93 0.367 5.325 -8.244 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.588 5.474 -6.573 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.208 6.934 -6.565 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.400 7.851 -6.398 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.104 7.800 -5.389 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.637 8.695 -7.390 1.00 0.00 N ATOM 0 H GLN D 93 -0.427 5.422 -5.194 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.787 3.531 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.349 5.307 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.036 5.216 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.500 7.116 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.697 7.176 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.028 8.704 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.428 9.336 -7.336 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.520 4.627 -9.217 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.010 4.757 -10.561 1.00 0.00 C ATOM 1443 C ILE D 94 -1.984 5.506 -11.462 1.00 0.00 C ATOM 1444 O ILE D 94 -1.524 6.316 -12.287 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.738 3.361 -11.109 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -1.973 2.500 -10.902 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.460 2.737 -10.422 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.800 1.063 -11.304 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.203 5.288 -11.330 1.00 0.00 O ATOM 0 H ILE D 94 -2.483 4.295 -9.164 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.089 5.339 -10.539 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.513 3.431 -12.173 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.257 2.539 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -2.799 2.927 -11.471 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.635 1.741 -10.829 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.340 3.358 -10.590 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.268 2.663 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.728 0.520 -11.123 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.548 1.009 -12.363 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -0.998 0.615 -10.717 1.00 0.00 H new TER 1461 ILE D 94