USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 768 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 86 SER OG : rot 49:sc= -0.206 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -6.32! C(o=-6.5!,f=-13!) USER MOD Set 2.1: A 20 GLN : amide:sc= -3.84! C(o=-4.2!,f=-5.6!) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= -0.398 USER MOD Single : A 1 GLY N :NH3+ -120:sc= -0.306 (180deg=-1.86!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0623 (180deg=-0.294) USER MOD Single : A 12 CYS SG : rot 164:sc= -11.9! USER MOD Single : A 13 SER OG : rot 75:sc= -4.18! USER MOD Single : A 14 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-9!) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc=-0.00414 (180deg=-0.504) USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.212 (180deg=-1.24!) USER MOD Single : A 27 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000204) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -1.81 (180deg=-4.93!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -31:sc= -6.05! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 57:sc= 1.12 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -158:sc= -1.25 (180deg=-3.24!) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0.371) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 120:sc=-0.00571 USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= 0.424 (180deg=0.196) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= -3.64! (180deg=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.570 19.184 9.695 1.00 0.00 N ATOM 2 CA GLY A 1 17.574 19.107 8.598 1.00 0.00 C ATOM 3 C GLY A 1 17.055 18.361 7.384 1.00 0.00 C ATOM 4 O GLY A 1 17.578 17.301 7.036 1.00 0.00 O ATOM 0 H1 GLY A 1 16.360 20.181 9.904 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.697 18.701 9.401 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.951 18.724 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.863 20.116 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.473 18.613 8.967 1.00 0.00 H new ATOM 10 N PRO A 2 16.018 18.890 6.714 1.00 0.00 N ATOM 11 CA PRO A 2 15.436 18.254 5.528 1.00 0.00 C ATOM 12 C PRO A 2 16.361 18.324 4.318 1.00 0.00 C ATOM 13 O PRO A 2 16.348 19.300 3.570 1.00 0.00 O ATOM 14 CB PRO A 2 14.164 19.068 5.276 1.00 0.00 C ATOM 15 CG PRO A 2 14.448 20.404 5.869 1.00 0.00 C ATOM 16 CD PRO A 2 15.333 20.150 7.059 1.00 0.00 C ATOM 0 HA PRO A 2 15.254 17.191 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.948 19.145 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.297 18.603 5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.942 21.054 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.526 20.902 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.042 20.963 7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.754 20.054 7.977 1.00 0.00 H new ATOM 24 N MET A 3 17.166 17.281 4.135 1.00 0.00 N ATOM 25 CA MET A 3 18.100 17.226 3.017 1.00 0.00 C ATOM 26 C MET A 3 18.257 15.795 2.510 1.00 0.00 C ATOM 27 O MET A 3 18.795 14.935 3.206 1.00 0.00 O ATOM 28 CB MET A 3 19.462 17.789 3.434 1.00 0.00 C ATOM 29 CG MET A 3 19.861 19.040 2.670 1.00 0.00 C ATOM 30 SD MET A 3 20.746 20.229 3.698 1.00 0.00 S ATOM 31 CE MET A 3 21.831 20.983 2.489 1.00 0.00 C ATOM 0 H MET A 3 17.190 16.464 4.746 1.00 0.00 H new ATOM 0 HA MET A 3 17.698 17.835 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 3 19.442 18.015 4.500 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.224 17.024 3.285 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.488 18.760 1.824 1.00 0.00 H new ATOM 0 HG3 MET A 3 18.967 19.512 2.262 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.444 21.742 2.974 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.476 20.220 2.053 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.234 21.446 1.703 1.00 0.00 H new ATOM 41 N GLY A 4 17.785 15.549 1.292 1.00 0.00 N ATOM 42 CA GLY A 4 17.884 14.222 0.712 1.00 0.00 C ATOM 43 C GLY A 4 16.580 13.452 0.794 1.00 0.00 C ATOM 44 O GLY A 4 16.570 12.270 1.135 1.00 0.00 O ATOM 0 H GLY A 4 17.336 16.245 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.187 14.307 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.665 13.662 1.226 1.00 0.00 H new ATOM 48 N SER A 5 15.476 14.123 0.477 1.00 0.00 N ATOM 49 CA SER A 5 14.162 13.492 0.516 1.00 0.00 C ATOM 50 C SER A 5 13.996 12.517 -0.646 1.00 0.00 C ATOM 51 O SER A 5 14.143 12.893 -1.808 1.00 0.00 O ATOM 52 CB SER A 5 13.062 14.553 0.468 1.00 0.00 C ATOM 53 OG SER A 5 11.787 13.978 0.695 1.00 0.00 O ATOM 0 H SER A 5 15.466 15.102 0.191 1.00 0.00 H new ATOM 0 HA SER A 5 14.079 12.936 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.258 15.318 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.073 15.049 -0.503 1.00 0.00 H new ATOM 0 HG SER A 5 11.102 14.678 0.661 1.00 0.00 H new ATOM 59 N MET A 6 13.695 11.264 -0.324 1.00 0.00 N ATOM 60 CA MET A 6 13.516 10.238 -1.346 1.00 0.00 C ATOM 61 C MET A 6 12.452 9.224 -0.933 1.00 0.00 C ATOM 62 O MET A 6 11.610 8.834 -1.741 1.00 0.00 O ATOM 63 CB MET A 6 14.839 9.523 -1.618 1.00 0.00 C ATOM 64 CG MET A 6 15.688 10.200 -2.681 1.00 0.00 C ATOM 65 SD MET A 6 17.417 9.695 -2.617 1.00 0.00 S ATOM 66 CE MET A 6 18.193 11.035 -3.518 1.00 0.00 C ATOM 0 H MET A 6 13.570 10.934 0.633 1.00 0.00 H new ATOM 0 HA MET A 6 13.181 10.731 -2.258 1.00 0.00 H new ATOM 0 HB2 MET A 6 15.409 9.466 -0.691 1.00 0.00 H new ATOM 0 HB3 MET A 6 14.632 8.499 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 6 15.282 9.968 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 6 15.625 11.281 -2.556 1.00 0.00 H new ATOM 0 HE1 MET A 6 19.269 10.867 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 6 17.788 11.076 -4.529 1.00 0.00 H new ATOM 0 HE3 MET A 6 17.995 11.978 -3.009 1.00 0.00 H new ATOM 76 N ALA A 7 12.495 8.798 0.327 1.00 0.00 N ATOM 77 CA ALA A 7 11.532 7.826 0.834 1.00 0.00 C ATOM 78 C ALA A 7 10.329 8.515 1.474 1.00 0.00 C ATOM 79 O ALA A 7 9.718 7.981 2.399 1.00 0.00 O ATOM 80 CB ALA A 7 12.197 6.889 1.831 1.00 0.00 C ATOM 0 H ALA A 7 13.183 9.109 1.012 1.00 0.00 H new ATOM 0 HA ALA A 7 11.172 7.242 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.465 6.170 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.013 6.357 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.590 7.467 2.667 1.00 0.00 H new ATOM 86 N ASP A 8 9.988 9.697 0.970 1.00 0.00 N ATOM 87 CA ASP A 8 8.851 10.450 1.488 1.00 0.00 C ATOM 88 C ASP A 8 7.550 9.681 1.272 1.00 0.00 C ATOM 89 O ASP A 8 6.531 9.975 1.897 1.00 0.00 O ATOM 90 CB ASP A 8 8.769 11.818 0.809 1.00 0.00 C ATOM 91 CG ASP A 8 8.336 12.913 1.762 1.00 0.00 C ATOM 92 OD1 ASP A 8 8.643 12.806 2.967 1.00 0.00 O ATOM 93 OD2 ASP A 8 7.691 13.880 1.303 1.00 0.00 O ATOM 0 H ASP A 8 10.483 10.154 0.204 1.00 0.00 H new ATOM 0 HA ASP A 8 8.995 10.593 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.743 12.070 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.067 11.766 -0.023 1.00 0.00 H new ATOM 98 N LYS A 9 7.590 8.705 0.369 1.00 0.00 N ATOM 99 CA LYS A 9 6.427 7.901 0.045 1.00 0.00 C ATOM 100 C LYS A 9 6.246 6.740 1.000 1.00 0.00 C ATOM 101 O LYS A 9 7.107 6.448 1.831 1.00 0.00 O ATOM 102 CB LYS A 9 6.570 7.355 -1.365 1.00 0.00 C ATOM 103 CG LYS A 9 6.373 8.395 -2.444 1.00 0.00 C ATOM 104 CD LYS A 9 7.389 9.507 -2.325 1.00 0.00 C ATOM 105 CE LYS A 9 7.371 10.397 -3.551 1.00 0.00 C ATOM 106 NZ LYS A 9 6.778 11.734 -3.266 1.00 0.00 N ATOM 0 H LYS A 9 8.429 8.454 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 9 5.552 8.546 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.561 6.914 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.846 6.553 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.457 7.926 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.367 8.809 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.178 10.102 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.384 9.082 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.388 10.524 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.802 9.910 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.786 12.309 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.798 11.616 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.335 12.211 -2.529 1.00 0.00 H new ATOM 120 N ILE A 10 5.117 6.066 0.846 1.00 0.00 N ATOM 121 CA ILE A 10 4.797 4.910 1.661 1.00 0.00 C ATOM 122 C ILE A 10 4.835 3.674 0.796 1.00 0.00 C ATOM 123 O ILE A 10 4.405 3.692 -0.359 1.00 0.00 O ATOM 124 CB ILE A 10 3.416 5.004 2.341 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.948 6.454 2.425 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.469 4.385 3.729 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.506 6.592 2.856 1.00 0.00 C ATOM 0 H ILE A 10 4.403 6.304 0.157 1.00 0.00 H new ATOM 0 HA ILE A 10 5.541 4.865 2.456 1.00 0.00 H new ATOM 0 HB ILE A 10 2.699 4.450 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.583 6.994 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.076 6.927 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.488 4.458 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.756 3.336 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.202 4.916 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.237 7.648 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.862 6.080 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.377 6.148 3.843 1.00 0.00 H new ATOM 139 N LYS A 11 5.369 2.612 1.348 1.00 0.00 N ATOM 140 CA LYS A 11 5.490 1.366 0.620 1.00 0.00 C ATOM 141 C LYS A 11 4.517 0.335 1.167 1.00 0.00 C ATOM 142 O LYS A 11 4.780 -0.317 2.175 1.00 0.00 O ATOM 143 CB LYS A 11 6.935 0.878 0.690 1.00 0.00 C ATOM 144 CG LYS A 11 7.945 2.000 0.441 1.00 0.00 C ATOM 145 CD LYS A 11 9.101 1.940 1.425 1.00 0.00 C ATOM 146 CE LYS A 11 10.290 1.193 0.841 1.00 0.00 C ATOM 147 NZ LYS A 11 11.544 1.991 0.932 1.00 0.00 N ATOM 0 H LYS A 11 5.729 2.583 2.302 1.00 0.00 H new ATOM 0 HA LYS A 11 5.233 1.525 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.120 0.438 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.085 0.089 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.328 1.926 -0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.445 2.965 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.403 2.952 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.775 1.448 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.421 0.249 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.089 0.949 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.365 1.356 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.576 2.678 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.568 2.497 1.840 1.00 0.00 H new ATOM 161 N CYS A 12 3.369 0.223 0.501 1.00 0.00 N ATOM 162 CA CYS A 12 2.321 -0.695 0.913 1.00 0.00 C ATOM 163 C CYS A 12 1.920 -1.619 -0.241 1.00 0.00 C ATOM 164 O CYS A 12 2.455 -1.517 -1.343 1.00 0.00 O ATOM 165 CB CYS A 12 1.113 0.117 1.397 1.00 0.00 C ATOM 166 SG CYS A 12 0.056 -0.712 2.602 1.00 0.00 S ATOM 0 H CYS A 12 3.145 0.765 -0.334 1.00 0.00 H new ATOM 0 HA CYS A 12 2.690 -1.323 1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.474 1.048 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.507 0.386 0.532 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.710 0.164 3.183 1.00 0.00 H new ATOM 172 N SER A 13 0.979 -2.517 0.023 1.00 0.00 N ATOM 173 CA SER A 13 0.494 -3.450 -0.987 1.00 0.00 C ATOM 174 C SER A 13 -1.016 -3.303 -1.133 1.00 0.00 C ATOM 175 O SER A 13 -1.672 -2.748 -0.253 1.00 0.00 O ATOM 176 CB SER A 13 0.848 -4.889 -0.604 1.00 0.00 C ATOM 177 OG SER A 13 1.942 -4.926 0.295 1.00 0.00 O ATOM 0 H SER A 13 0.534 -2.619 0.935 1.00 0.00 H new ATOM 0 HA SER A 13 0.973 -3.221 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.017 -5.370 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.092 -5.457 -1.502 1.00 0.00 H new ATOM 0 HG SER A 13 1.643 -4.647 1.186 1.00 0.00 H new ATOM 183 N HIS A 14 -1.573 -3.781 -2.243 1.00 0.00 N ATOM 184 CA HIS A 14 -3.013 -3.663 -2.457 1.00 0.00 C ATOM 185 C HIS A 14 -3.631 -4.941 -3.008 1.00 0.00 C ATOM 186 O HIS A 14 -2.972 -5.739 -3.679 1.00 0.00 O ATOM 187 CB HIS A 14 -3.320 -2.484 -3.386 1.00 0.00 C ATOM 188 CG HIS A 14 -3.036 -2.751 -4.834 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.279 -3.819 -5.271 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.415 -2.081 -5.947 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.205 -3.793 -6.590 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.886 -2.748 -7.024 1.00 0.00 N ATOM 0 H HIS A 14 -1.062 -4.245 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.464 -3.484 -1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.371 -2.215 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.735 -1.622 -3.066 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.845 -4.519 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.021 -1.188 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.678 -4.505 -7.208 1.00 0.00 H new ATOM 201 N ILE A 15 -4.916 -5.113 -2.716 1.00 0.00 N ATOM 202 CA ILE A 15 -5.672 -6.272 -3.165 1.00 0.00 C ATOM 203 C ILE A 15 -7.149 -5.906 -3.304 1.00 0.00 C ATOM 204 O ILE A 15 -7.813 -5.578 -2.321 1.00 0.00 O ATOM 205 CB ILE A 15 -5.501 -7.456 -2.184 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.127 -8.098 -2.379 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.607 -8.498 -2.357 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.040 -7.478 -1.529 1.00 0.00 C ATOM 0 H ILE A 15 -5.460 -4.452 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.288 -6.581 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.576 -7.066 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.196 -9.161 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.845 -8.019 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.452 -9.314 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.576 -8.035 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.582 -8.889 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.094 -7.985 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.942 -6.421 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.299 -7.581 -0.475 1.00 0.00 H new ATOM 220 N LEU A 16 -7.652 -5.950 -4.534 1.00 0.00 N ATOM 221 CA LEU A 16 -9.041 -5.606 -4.804 1.00 0.00 C ATOM 222 C LEU A 16 -9.913 -6.847 -4.960 1.00 0.00 C ATOM 223 O LEU A 16 -9.604 -7.738 -5.749 1.00 0.00 O ATOM 224 CB LEU A 16 -9.136 -4.752 -6.071 1.00 0.00 C ATOM 225 CG LEU A 16 -9.718 -3.353 -5.868 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.253 -2.417 -6.973 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.238 -3.415 -5.822 1.00 0.00 C ATOM 0 H LEU A 16 -7.117 -6.221 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.409 -5.040 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.139 -4.655 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.748 -5.281 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.359 -2.962 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.677 -1.426 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.165 -2.353 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.583 -2.801 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.639 -2.412 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.614 -3.824 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.551 -4.054 -4.996 1.00 0.00 H new ATOM 239 N VAL A 17 -11.015 -6.881 -4.218 1.00 0.00 N ATOM 240 CA VAL A 17 -11.956 -7.994 -4.286 1.00 0.00 C ATOM 241 C VAL A 17 -13.384 -7.485 -4.097 1.00 0.00 C ATOM 242 O VAL A 17 -13.647 -6.671 -3.214 1.00 0.00 O ATOM 243 CB VAL A 17 -11.646 -9.080 -3.235 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.186 -9.507 -3.320 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.984 -8.602 -1.827 1.00 0.00 C ATOM 0 H VAL A 17 -11.279 -6.148 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.853 -8.448 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.274 -9.944 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.987 -10.273 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.981 -9.908 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.544 -8.646 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.754 -9.390 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.395 -7.715 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.045 -8.358 -1.770 1.00 0.00 H new ATOM 255 N LYS A 18 -14.298 -7.952 -4.942 1.00 0.00 N ATOM 256 CA LYS A 18 -15.689 -7.519 -4.872 1.00 0.00 C ATOM 257 C LYS A 18 -16.432 -8.178 -3.713 1.00 0.00 C ATOM 258 O LYS A 18 -17.277 -7.551 -3.072 1.00 0.00 O ATOM 259 CB LYS A 18 -16.402 -7.815 -6.192 1.00 0.00 C ATOM 260 CG LYS A 18 -15.881 -6.989 -7.359 1.00 0.00 C ATOM 261 CD LYS A 18 -15.478 -7.867 -8.534 1.00 0.00 C ATOM 262 CE LYS A 18 -15.473 -7.085 -9.837 1.00 0.00 C ATOM 263 NZ LYS A 18 -14.417 -7.564 -10.771 1.00 0.00 N ATOM 0 H LYS A 18 -14.101 -8.628 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.690 -6.443 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.290 -8.873 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.469 -7.626 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.649 -6.284 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.023 -6.400 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.487 -8.284 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.168 -8.707 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.448 -7.173 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.317 -6.027 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.679 -6.837 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.996 -8.439 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.837 -7.751 -11.704 1.00 0.00 H new ATOM 277 N LYS A 19 -16.107 -9.435 -3.431 1.00 0.00 N ATOM 278 CA LYS A 19 -16.732 -10.150 -2.337 1.00 0.00 C ATOM 279 C LYS A 19 -16.202 -9.590 -1.017 1.00 0.00 C ATOM 280 O LYS A 19 -15.281 -10.129 -0.410 1.00 0.00 O ATOM 281 CB LYS A 19 -16.479 -11.657 -2.488 1.00 0.00 C ATOM 282 CG LYS A 19 -16.355 -12.404 -1.179 1.00 0.00 C ATOM 283 CD LYS A 19 -16.460 -13.908 -1.375 1.00 0.00 C ATOM 284 CE LYS A 19 -17.511 -14.519 -0.462 1.00 0.00 C ATOM 285 NZ LYS A 19 -17.395 -14.014 0.933 1.00 0.00 N ATOM 0 H LYS A 19 -15.413 -9.975 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.813 -10.011 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.294 -12.094 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.565 -11.804 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.399 -12.164 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.136 -12.071 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.710 -14.124 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.493 -14.370 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.504 -14.292 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.408 -15.604 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.639 -14.774 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.419 -13.700 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.045 -13.214 1.068 1.00 0.00 H new ATOM 299 N GLN A 20 -16.757 -8.454 -0.618 1.00 0.00 N ATOM 300 CA GLN A 20 -16.322 -7.753 0.585 1.00 0.00 C ATOM 301 C GLN A 20 -16.151 -8.679 1.781 1.00 0.00 C ATOM 302 O GLN A 20 -15.366 -8.378 2.682 1.00 0.00 O ATOM 303 CB GLN A 20 -17.306 -6.628 0.931 1.00 0.00 C ATOM 304 CG GLN A 20 -17.052 -5.972 2.282 1.00 0.00 C ATOM 305 CD GLN A 20 -18.232 -5.151 2.764 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.337 -5.257 2.231 1.00 0.00 O ATOM 307 NE2 GLN A 20 -18.003 -4.323 3.776 1.00 0.00 N ATOM 0 H GLN A 20 -17.518 -7.993 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.341 -7.332 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.257 -5.865 0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.319 -7.030 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.825 -6.743 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.173 -5.331 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.072 -4.267 4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.758 -3.743 4.141 1.00 0.00 H new ATOM 316 N GLY A 21 -16.851 -9.799 1.803 1.00 0.00 N ATOM 317 CA GLY A 21 -16.694 -10.697 2.924 1.00 0.00 C ATOM 318 C GLY A 21 -15.306 -11.290 2.934 1.00 0.00 C ATOM 319 O GLY A 21 -14.729 -11.541 3.993 1.00 0.00 O ATOM 0 H GLY A 21 -17.510 -10.098 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.874 -10.160 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.436 -11.493 2.867 1.00 0.00 H new ATOM 323 N GLU A 22 -14.749 -11.465 1.745 1.00 0.00 N ATOM 324 CA GLU A 22 -13.405 -11.989 1.606 1.00 0.00 C ATOM 325 C GLU A 22 -12.392 -10.933 2.014 1.00 0.00 C ATOM 326 O GLU A 22 -11.377 -11.235 2.640 1.00 0.00 O ATOM 327 CB GLU A 22 -13.168 -12.447 0.168 1.00 0.00 C ATOM 328 CG GLU A 22 -12.934 -11.334 -0.834 1.00 0.00 C ATOM 329 CD GLU A 22 -11.674 -11.556 -1.648 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.577 -11.254 -1.135 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.787 -12.034 -2.796 1.00 0.00 O ATOM 0 H GLU A 22 -15.211 -11.250 0.862 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.285 -12.851 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.306 -13.114 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.029 -13.031 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.791 -11.264 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.862 -10.382 -0.308 1.00 0.00 H new ATOM 338 N ALA A 23 -12.690 -9.690 1.662 1.00 0.00 N ATOM 339 CA ALA A 23 -11.824 -8.570 1.998 1.00 0.00 C ATOM 340 C ALA A 23 -11.557 -8.552 3.501 1.00 0.00 C ATOM 341 O ALA A 23 -10.457 -8.227 3.946 1.00 0.00 O ATOM 342 CB ALA A 23 -12.452 -7.256 1.539 1.00 0.00 C ATOM 0 H ALA A 23 -13.529 -9.432 1.142 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.872 -8.687 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.792 -6.428 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.598 -7.280 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.415 -7.121 2.032 1.00 0.00 H new ATOM 348 N LEU A 24 -12.573 -8.928 4.276 1.00 0.00 N ATOM 349 CA LEU A 24 -12.454 -8.983 5.729 1.00 0.00 C ATOM 350 C LEU A 24 -11.613 -10.182 6.159 1.00 0.00 C ATOM 351 O LEU A 24 -10.963 -10.159 7.203 1.00 0.00 O ATOM 352 CB LEU A 24 -13.837 -9.046 6.379 1.00 0.00 C ATOM 353 CG LEU A 24 -13.997 -8.204 7.646 1.00 0.00 C ATOM 354 CD1 LEU A 24 -12.973 -8.615 8.693 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.864 -6.724 7.321 1.00 0.00 C ATOM 0 H LEU A 24 -13.489 -9.199 3.919 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.953 -8.074 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.579 -8.722 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.061 -10.085 6.621 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.993 -8.379 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.102 -8.005 9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.114 -9.666 8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.968 -8.469 8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.980 -6.139 8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.881 -6.533 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.635 -6.438 6.606 1.00 0.00 H new ATOM 367 N ALA A 25 -11.648 -11.238 5.354 1.00 0.00 N ATOM 368 CA ALA A 25 -10.902 -12.453 5.651 1.00 0.00 C ATOM 369 C ALA A 25 -9.456 -12.342 5.177 1.00 0.00 C ATOM 370 O ALA A 25 -8.523 -12.645 5.919 1.00 0.00 O ATOM 371 CB ALA A 25 -11.576 -13.652 5.004 1.00 0.00 C ATOM 0 H ALA A 25 -12.187 -11.276 4.489 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.893 -12.589 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.010 -14.555 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.590 -13.752 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.612 -13.510 3.924 1.00 0.00 H new ATOM 377 N VAL A 26 -9.278 -11.904 3.934 1.00 0.00 N ATOM 378 CA VAL A 26 -7.946 -11.753 3.357 1.00 0.00 C ATOM 379 C VAL A 26 -7.031 -10.974 4.290 1.00 0.00 C ATOM 380 O VAL A 26 -5.855 -11.295 4.426 1.00 0.00 O ATOM 381 CB VAL A 26 -7.989 -11.052 1.979 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.102 -11.631 1.118 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.153 -9.545 2.135 1.00 0.00 C ATOM 0 H VAL A 26 -10.040 -11.647 3.307 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.550 -12.759 3.220 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.038 -11.234 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.116 -11.125 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.928 -12.696 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.060 -11.487 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.180 -9.078 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.083 -9.333 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.314 -9.145 2.703 1.00 0.00 H new ATOM 393 N GLN A 27 -7.576 -9.951 4.941 1.00 0.00 N ATOM 394 CA GLN A 27 -6.790 -9.147 5.865 1.00 0.00 C ATOM 395 C GLN A 27 -6.226 -10.035 6.974 1.00 0.00 C ATOM 396 O GLN A 27 -5.031 -9.995 7.268 1.00 0.00 O ATOM 397 CB GLN A 27 -7.635 -8.003 6.447 1.00 0.00 C ATOM 398 CG GLN A 27 -8.671 -8.443 7.467 1.00 0.00 C ATOM 399 CD GLN A 27 -9.267 -7.277 8.233 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.466 -7.356 9.445 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.552 -6.188 7.529 1.00 0.00 N ATOM 0 H GLN A 27 -8.550 -9.662 4.846 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.958 -8.698 5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.969 -7.277 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.143 -7.491 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.469 -8.985 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.211 -9.138 8.170 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.370 -6.167 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.953 -5.372 7.992 1.00 0.00 H new ATOM 410 N GLU A 28 -7.094 -10.848 7.566 1.00 0.00 N ATOM 411 CA GLU A 28 -6.693 -11.767 8.624 1.00 0.00 C ATOM 412 C GLU A 28 -5.891 -12.935 8.047 1.00 0.00 C ATOM 413 O GLU A 28 -5.047 -13.522 8.722 1.00 0.00 O ATOM 414 CB GLU A 28 -7.929 -12.284 9.374 1.00 0.00 C ATOM 415 CG GLU A 28 -8.716 -13.355 8.628 1.00 0.00 C ATOM 416 CD GLU A 28 -9.526 -14.236 9.558 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.171 -14.325 10.752 1.00 0.00 O ATOM 418 OE2 GLU A 28 -10.516 -14.840 9.092 1.00 0.00 O ATOM 0 H GLU A 28 -8.085 -10.889 7.329 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.057 -11.229 9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.613 -12.687 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.591 -11.443 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.385 -12.877 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.026 -13.975 8.055 1.00 0.00 H new ATOM 425 N ARG A 29 -6.192 -13.269 6.798 1.00 0.00 N ATOM 426 CA ARG A 29 -5.543 -14.373 6.103 1.00 0.00 C ATOM 427 C ARG A 29 -4.158 -13.984 5.593 1.00 0.00 C ATOM 428 O ARG A 29 -3.261 -14.823 5.498 1.00 0.00 O ATOM 429 CB ARG A 29 -6.422 -14.813 4.932 1.00 0.00 C ATOM 430 CG ARG A 29 -6.299 -16.285 4.585 1.00 0.00 C ATOM 431 CD ARG A 29 -6.618 -17.171 5.779 1.00 0.00 C ATOM 432 NE ARG A 29 -5.477 -17.997 6.170 1.00 0.00 N ATOM 433 CZ ARG A 29 -5.161 -19.150 5.584 1.00 0.00 C ATOM 434 NH1 ARG A 29 -5.887 -19.612 4.573 1.00 0.00 N ATOM 435 NH2 ARG A 29 -4.112 -19.841 6.009 1.00 0.00 N ATOM 0 H ARG A 29 -6.893 -12.782 6.239 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.415 -15.194 6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.463 -14.592 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.163 -14.221 4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.975 -16.523 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.288 -16.494 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.920 -16.549 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.465 -17.814 5.537 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.889 -17.671 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.693 -19.083 4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.639 -20.496 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.549 -19.489 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.868 -20.725 5.562 1.00 0.00 H new ATOM 449 N LEU A 30 -3.996 -12.712 5.253 1.00 0.00 N ATOM 450 CA LEU A 30 -2.730 -12.207 4.735 1.00 0.00 C ATOM 451 C LEU A 30 -1.586 -12.476 5.711 1.00 0.00 C ATOM 452 O LEU A 30 -0.612 -13.146 5.369 1.00 0.00 O ATOM 453 CB LEU A 30 -2.848 -10.706 4.449 1.00 0.00 C ATOM 454 CG LEU A 30 -1.776 -10.127 3.523 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.397 -10.274 4.146 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.827 -10.805 2.161 1.00 0.00 C ATOM 0 H LEU A 30 -4.730 -12.007 5.327 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.504 -12.732 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.826 -10.513 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.813 -10.169 5.397 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.976 -9.064 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.352 -9.857 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.368 -9.741 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.185 -11.330 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.058 -10.381 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.652 -11.874 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.807 -10.645 1.712 1.00 0.00 H new ATOM 468 N LYS A 31 -1.709 -11.953 6.926 1.00 0.00 N ATOM 469 CA LYS A 31 -0.683 -12.141 7.948 1.00 0.00 C ATOM 470 C LYS A 31 -0.674 -13.573 8.480 1.00 0.00 C ATOM 471 O LYS A 31 0.228 -13.959 9.224 1.00 0.00 O ATOM 472 CB LYS A 31 -0.900 -11.165 9.103 1.00 0.00 C ATOM 473 CG LYS A 31 -2.216 -11.373 9.836 1.00 0.00 C ATOM 474 CD LYS A 31 -3.154 -10.188 9.659 1.00 0.00 C ATOM 475 CE LYS A 31 -3.516 -9.557 10.995 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.867 -9.975 11.460 1.00 0.00 N ATOM 0 H LYS A 31 -2.508 -11.396 7.228 1.00 0.00 H new ATOM 0 HA LYS A 31 0.283 -11.946 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.079 -11.266 9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.865 -10.146 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.699 -12.277 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.021 -11.527 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.682 -9.442 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.062 -10.514 9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.773 -9.837 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.483 -8.471 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.068 -9.537 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.582 -9.671 10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.896 -11.010 11.556 1.00 0.00 H new ATOM 490 N ALA A 32 -1.682 -14.356 8.107 1.00 0.00 N ATOM 491 CA ALA A 32 -1.783 -15.736 8.561 1.00 0.00 C ATOM 492 C ALA A 32 -0.563 -16.551 8.141 1.00 0.00 C ATOM 493 O ALA A 32 -0.247 -17.573 8.751 1.00 0.00 O ATOM 494 CB ALA A 32 -3.057 -16.372 8.028 1.00 0.00 C ATOM 0 H ALA A 32 -2.439 -14.057 7.492 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.819 -15.731 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.121 -17.404 8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.921 -15.814 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.044 -16.355 6.938 1.00 0.00 H new ATOM 500 N GLY A 33 0.115 -16.097 7.091 1.00 0.00 N ATOM 501 CA GLY A 33 1.282 -16.796 6.607 1.00 0.00 C ATOM 502 C GLY A 33 1.504 -16.605 5.118 1.00 0.00 C ATOM 503 O GLY A 33 2.588 -16.881 4.607 1.00 0.00 O ATOM 0 H GLY A 33 -0.127 -15.255 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.161 -16.446 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.178 -17.860 6.821 1.00 0.00 H new ATOM 507 N GLU A 34 0.474 -16.132 4.420 1.00 0.00 N ATOM 508 CA GLU A 34 0.567 -15.907 2.982 1.00 0.00 C ATOM 509 C GLU A 34 1.067 -14.497 2.684 1.00 0.00 C ATOM 510 O GLU A 34 0.949 -13.599 3.516 1.00 0.00 O ATOM 511 CB GLU A 34 -0.792 -16.133 2.315 1.00 0.00 C ATOM 512 CG GLU A 34 -1.951 -15.486 3.057 1.00 0.00 C ATOM 513 CD GLU A 34 -3.251 -15.543 2.279 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.294 -16.240 1.242 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.226 -14.890 2.705 1.00 0.00 O ATOM 0 H GLU A 34 -0.432 -15.898 4.827 1.00 0.00 H new ATOM 0 HA GLU A 34 1.283 -16.621 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.758 -15.740 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.975 -17.205 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.085 -15.984 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.705 -14.446 3.269 1.00 0.00 H new ATOM 522 N LYS A 35 1.627 -14.311 1.495 1.00 0.00 N ATOM 523 CA LYS A 35 2.148 -13.009 1.094 1.00 0.00 C ATOM 524 C LYS A 35 1.171 -12.285 0.176 1.00 0.00 C ATOM 525 O LYS A 35 0.370 -12.909 -0.520 1.00 0.00 O ATOM 526 CB LYS A 35 3.508 -13.169 0.402 1.00 0.00 C ATOM 527 CG LYS A 35 3.411 -13.530 -1.073 1.00 0.00 C ATOM 528 CD LYS A 35 4.784 -13.765 -1.682 1.00 0.00 C ATOM 529 CE LYS A 35 4.839 -13.304 -3.128 1.00 0.00 C ATOM 530 NZ LYS A 35 5.873 -14.039 -3.908 1.00 0.00 N ATOM 0 H LYS A 35 1.732 -15.043 0.793 1.00 0.00 H new ATOM 0 HA LYS A 35 2.277 -12.407 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.067 -12.239 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.079 -13.941 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.802 -14.427 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.905 -12.729 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.537 -13.233 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.030 -14.825 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.863 -13.449 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.052 -12.235 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.878 -13.694 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.808 -13.881 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.656 -15.056 -3.899 1.00 0.00 H new ATOM 544 N PHE A 36 1.253 -10.962 0.183 1.00 0.00 N ATOM 545 CA PHE A 36 0.388 -10.131 -0.644 1.00 0.00 C ATOM 546 C PHE A 36 0.438 -10.569 -2.105 1.00 0.00 C ATOM 547 O PHE A 36 -0.584 -10.597 -2.790 1.00 0.00 O ATOM 548 CB PHE A 36 0.800 -8.661 -0.532 1.00 0.00 C ATOM 549 CG PHE A 36 2.283 -8.452 -0.392 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.115 -8.534 -1.497 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.843 -8.175 0.846 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.478 -8.346 -1.370 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.204 -7.986 0.978 1.00 0.00 C ATOM 554 CZ PHE A 36 5.023 -8.070 -0.131 1.00 0.00 C ATOM 0 H PHE A 36 1.914 -10.438 0.756 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.634 -10.248 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.450 -8.127 -1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.298 -8.218 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.694 -8.747 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.207 -8.106 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.116 -8.415 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.628 -7.773 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.088 -7.920 -0.030 1.00 0.00 H new ATOM 564 N GLY A 37 1.635 -10.908 -2.574 1.00 0.00 N ATOM 565 CA GLY A 37 1.800 -11.339 -3.950 1.00 0.00 C ATOM 566 C GLY A 37 0.905 -12.507 -4.308 1.00 0.00 C ATOM 567 O GLY A 37 0.433 -12.612 -5.441 1.00 0.00 O ATOM 0 H GLY A 37 2.494 -10.892 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.584 -10.504 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.840 -11.619 -4.116 1.00 0.00 H new ATOM 571 N LYS A 38 0.669 -13.390 -3.343 1.00 0.00 N ATOM 572 CA LYS A 38 -0.176 -14.557 -3.567 1.00 0.00 C ATOM 573 C LYS A 38 -1.624 -14.142 -3.798 1.00 0.00 C ATOM 574 O LYS A 38 -2.230 -14.506 -4.804 1.00 0.00 O ATOM 575 CB LYS A 38 -0.089 -15.507 -2.371 1.00 0.00 C ATOM 576 CG LYS A 38 -0.093 -16.977 -2.757 1.00 0.00 C ATOM 577 CD LYS A 38 -1.503 -17.483 -3.011 1.00 0.00 C ATOM 578 CE LYS A 38 -2.253 -17.720 -1.711 1.00 0.00 C ATOM 579 NZ LYS A 38 -3.087 -16.548 -1.330 1.00 0.00 N ATOM 0 H LYS A 38 1.051 -13.320 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 38 0.181 -15.071 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.821 -15.290 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.928 -15.314 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.513 -17.121 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.368 -17.564 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.046 -16.759 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.460 -18.411 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.888 -18.600 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.540 -17.933 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.779 -16.189 -0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.981 -15.800 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.085 -16.835 -1.275 1.00 0.00 H new ATOM 593 N LEU A 39 -2.167 -13.369 -2.861 1.00 0.00 N ATOM 594 CA LEU A 39 -3.542 -12.894 -2.952 1.00 0.00 C ATOM 595 C LEU A 39 -3.770 -12.142 -4.257 1.00 0.00 C ATOM 596 O LEU A 39 -4.866 -12.172 -4.815 1.00 0.00 O ATOM 597 CB LEU A 39 -3.876 -11.970 -1.777 1.00 0.00 C ATOM 598 CG LEU A 39 -3.879 -12.621 -0.386 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.731 -13.880 -0.380 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.464 -12.931 0.076 1.00 0.00 C ATOM 0 H LEU A 39 -1.671 -13.058 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.194 -13.767 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.158 -11.150 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.859 -11.532 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.315 -11.909 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.718 -14.323 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.756 -13.627 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.331 -14.594 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.496 -13.391 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.993 -13.617 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.887 -12.008 0.125 1.00 0.00 H new ATOM 612 N ALA A 40 -2.730 -11.468 -4.741 1.00 0.00 N ATOM 613 CA ALA A 40 -2.830 -10.699 -5.976 1.00 0.00 C ATOM 614 C ALA A 40 -3.412 -11.550 -7.098 1.00 0.00 C ATOM 615 O ALA A 40 -4.403 -11.177 -7.727 1.00 0.00 O ATOM 616 CB ALA A 40 -1.462 -10.167 -6.371 1.00 0.00 C ATOM 0 H ALA A 40 -1.812 -11.439 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.501 -9.857 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.547 -9.594 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.079 -9.524 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.777 -11.001 -6.523 1.00 0.00 H new ATOM 622 N LYS A 41 -2.800 -12.698 -7.330 1.00 0.00 N ATOM 623 CA LYS A 41 -3.257 -13.619 -8.357 1.00 0.00 C ATOM 624 C LYS A 41 -4.343 -14.549 -7.820 1.00 0.00 C ATOM 625 O LYS A 41 -5.116 -15.124 -8.587 1.00 0.00 O ATOM 626 CB LYS A 41 -2.085 -14.443 -8.895 1.00 0.00 C ATOM 627 CG LYS A 41 -1.234 -15.074 -7.803 1.00 0.00 C ATOM 628 CD LYS A 41 -0.816 -16.489 -8.166 1.00 0.00 C ATOM 629 CE LYS A 41 -0.802 -17.396 -6.946 1.00 0.00 C ATOM 630 NZ LYS A 41 -0.425 -18.793 -7.294 1.00 0.00 N ATOM 0 H LYS A 41 -1.978 -13.017 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.681 -13.029 -9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.472 -15.229 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.454 -13.803 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.347 -14.464 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.793 -15.088 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.501 -16.892 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.175 -16.472 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.100 -17.004 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.787 -17.392 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.428 -19.378 -6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.109 -19.178 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.526 -18.801 -7.715 1.00 0.00 H new ATOM 644 N GLU A 42 -4.365 -14.735 -6.500 1.00 0.00 N ATOM 645 CA GLU A 42 -5.319 -15.645 -5.869 1.00 0.00 C ATOM 646 C GLU A 42 -6.765 -15.133 -5.914 1.00 0.00 C ATOM 647 O GLU A 42 -7.598 -15.705 -6.617 1.00 0.00 O ATOM 648 CB GLU A 42 -4.889 -15.903 -4.423 1.00 0.00 C ATOM 649 CG GLU A 42 -4.485 -17.344 -4.159 1.00 0.00 C ATOM 650 CD GLU A 42 -5.541 -18.337 -4.597 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.702 -18.205 -4.152 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.212 -19.246 -5.386 1.00 0.00 O ATOM 0 H GLU A 42 -3.734 -14.268 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.309 -16.574 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.052 -15.249 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.708 -15.635 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.553 -17.557 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.290 -17.473 -3.094 1.00 0.00 H new ATOM 659 N LEU A 43 -7.072 -14.068 -5.174 1.00 0.00 N ATOM 660 CA LEU A 43 -8.436 -13.529 -5.164 1.00 0.00 C ATOM 661 C LEU A 43 -8.497 -12.084 -5.648 1.00 0.00 C ATOM 662 O LEU A 43 -9.580 -11.565 -5.923 1.00 0.00 O ATOM 663 CB LEU A 43 -9.073 -13.638 -3.773 1.00 0.00 C ATOM 664 CG LEU A 43 -8.158 -13.326 -2.587 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.181 -14.465 -2.354 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.419 -12.012 -2.801 1.00 0.00 C ATOM 0 H LEU A 43 -6.409 -13.567 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.006 -14.140 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.928 -12.963 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.460 -14.650 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.778 -13.220 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.538 -14.226 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.733 -15.381 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.569 -14.607 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.775 -11.813 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.811 -12.079 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.141 -11.202 -2.909 1.00 0.00 H new ATOM 678 N SER A 44 -7.348 -11.428 -5.740 1.00 0.00 N ATOM 679 CA SER A 44 -7.309 -10.038 -6.176 1.00 0.00 C ATOM 680 C SER A 44 -7.791 -9.898 -7.619 1.00 0.00 C ATOM 681 O SER A 44 -7.381 -10.655 -8.499 1.00 0.00 O ATOM 682 CB SER A 44 -5.886 -9.496 -6.045 1.00 0.00 C ATOM 683 OG SER A 44 -5.778 -8.596 -4.958 1.00 0.00 O ATOM 0 H SER A 44 -6.437 -11.832 -5.521 1.00 0.00 H new ATOM 0 HA SER A 44 -7.979 -9.460 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.190 -10.324 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.600 -8.991 -6.968 1.00 0.00 H new ATOM 0 HG SER A 44 -6.631 -8.131 -4.833 1.00 0.00 H new ATOM 689 N ILE A 45 -8.663 -8.917 -7.848 1.00 0.00 N ATOM 690 CA ILE A 45 -9.206 -8.664 -9.182 1.00 0.00 C ATOM 691 C ILE A 45 -8.482 -7.501 -9.858 1.00 0.00 C ATOM 692 O ILE A 45 -8.683 -7.236 -11.043 1.00 0.00 O ATOM 693 CB ILE A 45 -10.716 -8.353 -9.134 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.028 -7.400 -7.981 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.518 -9.638 -8.995 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.113 -6.396 -8.297 1.00 0.00 C ATOM 0 H ILE A 45 -9.009 -8.284 -7.127 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.052 -9.575 -9.760 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.000 -7.868 -10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.328 -7.983 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.119 -6.865 -7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.582 -9.401 -8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.316 -10.287 -9.847 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.232 -10.148 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.279 -5.755 -7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.808 -5.786 -9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.036 -6.922 -8.541 1.00 0.00 H new ATOM 708 N ASP A 46 -7.635 -6.814 -9.094 1.00 0.00 N ATOM 709 CA ASP A 46 -6.869 -5.683 -9.610 1.00 0.00 C ATOM 710 C ASP A 46 -6.239 -6.016 -10.962 1.00 0.00 C ATOM 711 O ASP A 46 -5.698 -7.104 -11.157 1.00 0.00 O ATOM 712 CB ASP A 46 -5.790 -5.271 -8.606 1.00 0.00 C ATOM 713 CG ASP A 46 -4.728 -6.336 -8.428 1.00 0.00 C ATOM 714 OD1 ASP A 46 -5.078 -7.534 -8.476 1.00 0.00 O ATOM 715 OD2 ASP A 46 -3.548 -5.973 -8.240 1.00 0.00 O ATOM 0 H ASP A 46 -7.462 -7.023 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.554 -4.847 -9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.320 -4.346 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.255 -5.061 -7.643 1.00 0.00 H new ATOM 720 N GLY A 47 -6.336 -5.080 -11.897 1.00 0.00 N ATOM 721 CA GLY A 47 -5.793 -5.289 -13.227 1.00 0.00 C ATOM 722 C GLY A 47 -4.290 -5.495 -13.228 1.00 0.00 C ATOM 723 O GLY A 47 -3.670 -5.530 -12.166 1.00 0.00 O ATOM 0 H GLY A 47 -6.784 -4.174 -11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.274 -6.158 -13.677 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.037 -4.430 -13.852 1.00 0.00 H new ATOM 727 N GLY A 48 -3.727 -5.661 -14.433 1.00 0.00 N ATOM 728 CA GLY A 48 -2.292 -5.894 -14.627 1.00 0.00 C ATOM 729 C GLY A 48 -1.416 -5.666 -13.402 1.00 0.00 C ATOM 730 O GLY A 48 -0.518 -6.463 -13.128 1.00 0.00 O ATOM 0 H GLY A 48 -4.258 -5.637 -15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.152 -6.920 -14.966 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.942 -5.243 -15.428 1.00 0.00 H new ATOM 734 N SER A 49 -1.665 -4.589 -12.664 1.00 0.00 N ATOM 735 CA SER A 49 -0.881 -4.282 -11.470 1.00 0.00 C ATOM 736 C SER A 49 -0.803 -5.484 -10.521 1.00 0.00 C ATOM 737 O SER A 49 0.078 -5.546 -9.663 1.00 0.00 O ATOM 738 CB SER A 49 -1.484 -3.083 -10.737 1.00 0.00 C ATOM 739 OG SER A 49 -0.470 -2.248 -10.206 1.00 0.00 O ATOM 0 H SER A 49 -2.402 -3.914 -12.870 1.00 0.00 H new ATOM 0 HA SER A 49 0.132 -4.040 -11.793 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.109 -2.511 -11.422 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.131 -3.432 -9.932 1.00 0.00 H new ATOM 0 HG SER A 49 -0.881 -1.488 -9.744 1.00 0.00 H new ATOM 745 N ALA A 50 -1.715 -6.440 -10.686 1.00 0.00 N ATOM 746 CA ALA A 50 -1.734 -7.637 -9.851 1.00 0.00 C ATOM 747 C ALA A 50 -0.555 -8.545 -10.175 1.00 0.00 C ATOM 748 O ALA A 50 -0.164 -9.387 -9.367 1.00 0.00 O ATOM 749 CB ALA A 50 -3.042 -8.392 -10.029 1.00 0.00 C ATOM 0 H ALA A 50 -2.451 -6.408 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.650 -7.323 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.038 -9.281 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.875 -7.749 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.152 -8.687 -11.072 1.00 0.00 H new ATOM 755 N LYS A 51 0.015 -8.361 -11.363 1.00 0.00 N ATOM 756 CA LYS A 51 1.154 -9.154 -11.796 1.00 0.00 C ATOM 757 C LYS A 51 2.427 -8.671 -11.112 1.00 0.00 C ATOM 758 O LYS A 51 3.499 -9.257 -11.275 1.00 0.00 O ATOM 759 CB LYS A 51 1.300 -9.065 -13.317 1.00 0.00 C ATOM 760 CG LYS A 51 0.944 -10.358 -14.033 1.00 0.00 C ATOM 761 CD LYS A 51 0.172 -10.089 -15.313 1.00 0.00 C ATOM 762 CE LYS A 51 -0.865 -11.170 -15.573 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.328 -11.167 -16.990 1.00 0.00 N ATOM 0 H LYS A 51 -0.297 -7.667 -12.042 1.00 0.00 H new ATOM 0 HA LYS A 51 0.987 -10.194 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.662 -8.264 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.327 -8.794 -13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.855 -10.910 -14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.349 -10.989 -13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.320 -9.119 -15.246 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.864 -10.037 -16.153 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.441 -12.145 -15.332 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.719 -11.021 -14.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.034 -11.918 -17.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.755 -10.246 -17.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.518 -11.335 -17.620 1.00 0.00 H new ATOM 777 N ARG A 52 2.294 -7.596 -10.344 1.00 0.00 N ATOM 778 CA ARG A 52 3.412 -7.014 -9.623 1.00 0.00 C ATOM 779 C ARG A 52 3.330 -7.365 -8.140 1.00 0.00 C ATOM 780 O ARG A 52 3.855 -6.644 -7.293 1.00 0.00 O ATOM 781 CB ARG A 52 3.426 -5.494 -9.808 1.00 0.00 C ATOM 782 CG ARG A 52 2.762 -5.017 -11.093 1.00 0.00 C ATOM 783 CD ARG A 52 3.549 -3.888 -11.741 1.00 0.00 C ATOM 784 NE ARG A 52 4.321 -4.347 -12.891 1.00 0.00 N ATOM 785 CZ ARG A 52 5.388 -3.712 -13.374 1.00 0.00 C ATOM 786 NH1 ARG A 52 5.811 -2.586 -12.811 1.00 0.00 N ATOM 787 NH2 ARG A 52 6.031 -4.203 -14.424 1.00 0.00 N ATOM 0 H ARG A 52 1.410 -7.107 -10.206 1.00 0.00 H new ATOM 0 HA ARG A 52 4.338 -7.425 -10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.924 -5.031 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.459 -5.147 -9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.677 -5.850 -11.791 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.749 -4.678 -10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.862 -3.102 -12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.222 -3.447 -11.006 1.00 0.00 H new ATOM 0 HE ARG A 52 4.026 -5.207 -13.353 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.318 -2.203 -12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.629 -2.104 -13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.709 -5.066 -14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.848 -3.718 -14.795 1.00 0.00 H new ATOM 801 N ASP A 53 2.648 -8.473 -7.840 1.00 0.00 N ATOM 802 CA ASP A 53 2.468 -8.938 -6.467 1.00 0.00 C ATOM 803 C ASP A 53 1.834 -7.859 -5.594 1.00 0.00 C ATOM 804 O ASP A 53 2.095 -7.780 -4.394 1.00 0.00 O ATOM 805 CB ASP A 53 3.802 -9.416 -5.869 1.00 0.00 C ATOM 806 CG ASP A 53 4.723 -8.281 -5.455 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.530 -7.731 -4.349 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.643 -7.950 -6.232 1.00 0.00 O ATOM 0 H ASP A 53 2.208 -9.069 -8.541 1.00 0.00 H new ATOM 0 HA ASP A 53 1.785 -9.787 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.598 -10.042 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.315 -10.041 -6.600 1.00 0.00 H new ATOM 813 N GLY A 54 0.988 -7.036 -6.209 1.00 0.00 N ATOM 814 CA GLY A 54 0.315 -5.977 -5.480 1.00 0.00 C ATOM 815 C GLY A 54 1.272 -5.092 -4.708 1.00 0.00 C ATOM 816 O GLY A 54 0.935 -4.593 -3.636 1.00 0.00 O ATOM 0 H GLY A 54 0.757 -7.085 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.253 -5.365 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.402 -6.418 -4.788 1.00 0.00 H new ATOM 820 N SER A 55 2.466 -4.893 -5.254 1.00 0.00 N ATOM 821 CA SER A 55 3.468 -4.058 -4.604 1.00 0.00 C ATOM 822 C SER A 55 3.257 -2.589 -4.950 1.00 0.00 C ATOM 823 O SER A 55 3.818 -2.082 -5.921 1.00 0.00 O ATOM 824 CB SER A 55 4.876 -4.493 -5.017 1.00 0.00 C ATOM 825 OG SER A 55 5.411 -5.426 -4.095 1.00 0.00 O ATOM 0 H SER A 55 2.763 -5.297 -6.142 1.00 0.00 H new ATOM 0 HA SER A 55 3.361 -4.180 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.846 -4.936 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.527 -3.621 -5.076 1.00 0.00 H new ATOM 0 HG SER A 55 4.807 -6.194 -4.019 1.00 0.00 H new ATOM 831 N LEU A 56 2.451 -1.906 -4.142 1.00 0.00 N ATOM 832 CA LEU A 56 2.171 -0.491 -4.360 1.00 0.00 C ATOM 833 C LEU A 56 3.466 0.310 -4.394 1.00 0.00 C ATOM 834 O LEU A 56 3.556 1.337 -5.068 1.00 0.00 O ATOM 835 CB LEU A 56 1.256 0.049 -3.258 1.00 0.00 C ATOM 836 CG LEU A 56 -0.089 -0.666 -3.124 1.00 0.00 C ATOM 837 CD1 LEU A 56 -0.947 0.010 -2.066 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.810 -0.700 -4.466 1.00 0.00 C ATOM 0 H LEU A 56 1.981 -2.309 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 56 1.667 -0.387 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.782 -0.017 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.071 1.106 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 56 0.093 -1.694 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.901 -0.511 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.432 -0.021 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.124 1.047 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.765 -1.212 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.983 0.319 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.198 -1.231 -5.195 1.00 0.00 H new ATOM 850 N GLY A 57 4.465 -0.167 -3.660 1.00 0.00 N ATOM 851 CA GLY A 57 5.742 0.518 -3.615 1.00 0.00 C ATOM 852 C GLY A 57 5.625 1.889 -2.984 1.00 0.00 C ATOM 853 O GLY A 57 4.617 2.198 -2.348 1.00 0.00 O ATOM 0 H GLY A 57 4.413 -1.015 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.456 -0.082 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.137 0.616 -4.626 1.00 0.00 H new ATOM 857 N TYR A 58 6.650 2.716 -3.151 1.00 0.00 N ATOM 858 CA TYR A 58 6.631 4.054 -2.571 1.00 0.00 C ATOM 859 C TYR A 58 5.602 4.944 -3.254 1.00 0.00 C ATOM 860 O TYR A 58 5.787 5.361 -4.398 1.00 0.00 O ATOM 861 CB TYR A 58 8.005 4.745 -2.647 1.00 0.00 C ATOM 862 CG TYR A 58 9.165 3.824 -2.969 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.534 3.569 -4.285 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.894 3.216 -1.955 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.595 2.733 -4.579 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.954 2.378 -2.241 1.00 0.00 C ATOM 867 CZ TYR A 58 11.301 2.140 -3.554 1.00 0.00 C ATOM 868 OH TYR A 58 12.360 1.307 -3.841 1.00 0.00 O ATOM 0 H TYR A 58 7.494 2.489 -3.676 1.00 0.00 H new ATOM 0 HA TYR A 58 6.363 3.918 -1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.960 5.528 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.203 5.235 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.983 4.031 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.627 3.402 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.869 2.545 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.508 1.911 -1.440 1.00 0.00 H new ATOM 0 HH TYR A 58 12.749 0.973 -3.006 1.00 0.00 H new ATOM 878 N PHE A 59 4.547 5.278 -2.524 1.00 0.00 N ATOM 879 CA PHE A 59 3.524 6.174 -3.034 1.00 0.00 C ATOM 880 C PHE A 59 3.494 7.420 -2.176 1.00 0.00 C ATOM 881 O PHE A 59 3.875 7.393 -1.006 1.00 0.00 O ATOM 882 CB PHE A 59 2.144 5.531 -3.046 1.00 0.00 C ATOM 883 CG PHE A 59 1.870 4.710 -4.276 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.205 5.193 -5.531 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.273 3.463 -4.181 1.00 0.00 C ATOM 886 CE1 PHE A 59 1.952 4.447 -6.668 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.017 2.713 -5.314 1.00 0.00 C ATOM 888 CZ PHE A 59 1.357 3.206 -6.558 1.00 0.00 C ATOM 0 H PHE A 59 4.379 4.941 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 59 3.776 6.419 -4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.041 4.896 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.388 6.312 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.669 6.164 -5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.005 3.072 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.219 4.835 -7.640 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.552 1.742 -5.226 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.158 2.622 -7.444 1.00 0.00 H new ATOM 898 N GLY A 60 3.051 8.508 -2.760 1.00 0.00 N ATOM 899 CA GLY A 60 2.994 9.758 -2.034 1.00 0.00 C ATOM 900 C GLY A 60 1.574 10.265 -1.864 1.00 0.00 C ATOM 901 O GLY A 60 0.619 9.579 -2.229 1.00 0.00 O ATOM 0 H GLY A 60 2.727 8.556 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.449 9.626 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.584 10.508 -2.561 1.00 0.00 H new ATOM 905 N ARG A 61 1.431 11.466 -1.315 1.00 0.00 N ATOM 906 CA ARG A 61 0.118 12.052 -1.108 1.00 0.00 C ATOM 907 C ARG A 61 -0.400 12.641 -2.409 1.00 0.00 C ATOM 908 O ARG A 61 -0.328 13.849 -2.634 1.00 0.00 O ATOM 909 CB ARG A 61 0.170 13.131 -0.023 1.00 0.00 C ATOM 910 CG ARG A 61 1.260 14.171 -0.240 1.00 0.00 C ATOM 911 CD ARG A 61 2.139 14.321 0.992 1.00 0.00 C ATOM 912 NE ARG A 61 3.028 13.174 1.173 1.00 0.00 N ATOM 913 CZ ARG A 61 3.418 12.711 2.358 1.00 0.00 C ATOM 914 NH1 ARG A 61 3.018 13.300 3.479 1.00 0.00 N ATOM 915 NH2 ARG A 61 4.215 11.653 2.424 1.00 0.00 N ATOM 0 H ARG A 61 2.209 12.050 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.562 11.267 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.796 13.635 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.325 12.653 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.874 13.884 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.805 15.131 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.734 15.230 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.510 14.435 1.875 1.00 0.00 H new ATOM 0 HE ARG A 61 3.371 12.699 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.406 14.115 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.323 12.937 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.528 11.196 1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.515 11.296 3.331 1.00 0.00 H new ATOM 929 N GLY A 62 -0.920 11.773 -3.262 1.00 0.00 N ATOM 930 CA GLY A 62 -1.440 12.213 -4.537 1.00 0.00 C ATOM 931 C GLY A 62 -1.248 11.182 -5.634 1.00 0.00 C ATOM 932 O GLY A 62 -0.981 11.535 -6.783 1.00 0.00 O ATOM 0 H GLY A 62 -0.991 10.770 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.502 12.435 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.946 13.141 -4.826 1.00 0.00 H new ATOM 936 N LYS A 63 -1.380 9.906 -5.282 1.00 0.00 N ATOM 937 CA LYS A 63 -1.210 8.826 -6.248 1.00 0.00 C ATOM 938 C LYS A 63 -2.421 7.894 -6.253 1.00 0.00 C ATOM 939 O LYS A 63 -2.875 7.462 -7.313 1.00 0.00 O ATOM 940 CB LYS A 63 0.055 8.027 -5.932 1.00 0.00 C ATOM 941 CG LYS A 63 1.339 8.814 -6.141 1.00 0.00 C ATOM 942 CD LYS A 63 1.456 9.316 -7.572 1.00 0.00 C ATOM 943 CE LYS A 63 2.908 9.510 -7.977 1.00 0.00 C ATOM 944 NZ LYS A 63 3.332 10.933 -7.863 1.00 0.00 N ATOM 0 H LYS A 63 -1.604 9.595 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.117 9.274 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.011 7.687 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.078 7.136 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.365 9.660 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.196 8.184 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.980 8.605 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.920 10.260 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.546 8.890 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.047 9.171 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.328 11.022 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.740 11.522 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.224 11.250 -6.878 1.00 0.00 H new ATOM 958 N MET A 64 -2.937 7.583 -5.068 1.00 0.00 N ATOM 959 CA MET A 64 -4.092 6.696 -4.949 1.00 0.00 C ATOM 960 C MET A 64 -5.305 7.437 -4.394 1.00 0.00 C ATOM 961 O MET A 64 -5.205 8.587 -3.964 1.00 0.00 O ATOM 962 CB MET A 64 -3.760 5.490 -4.065 1.00 0.00 C ATOM 963 CG MET A 64 -3.157 5.853 -2.716 1.00 0.00 C ATOM 964 SD MET A 64 -1.918 4.662 -2.170 1.00 0.00 S ATOM 965 CE MET A 64 -0.835 5.712 -1.205 1.00 0.00 C ATOM 0 H MET A 64 -2.576 7.930 -4.179 1.00 0.00 H new ATOM 0 HA MET A 64 -4.339 6.341 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.670 4.913 -3.900 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.064 4.843 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.703 6.842 -2.779 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.951 5.914 -1.971 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.149 5.249 -1.130 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.743 6.683 -1.691 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.251 5.844 -0.206 1.00 0.00 H new ATOM 975 N VAL A 65 -6.458 6.769 -4.414 1.00 0.00 N ATOM 976 CA VAL A 65 -7.700 7.355 -3.922 1.00 0.00 C ATOM 977 C VAL A 65 -7.534 7.907 -2.505 1.00 0.00 C ATOM 978 O VAL A 65 -6.587 7.561 -1.801 1.00 0.00 O ATOM 979 CB VAL A 65 -8.850 6.326 -3.943 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.088 5.820 -5.358 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.552 5.170 -3.002 1.00 0.00 C ATOM 0 H VAL A 65 -6.556 5.817 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.950 8.178 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.759 6.820 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.902 5.095 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.351 6.657 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.181 5.344 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.375 4.456 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.631 4.676 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.436 5.548 -1.986 1.00 0.00 H new ATOM 991 N LYS A 66 -8.455 8.775 -2.102 1.00 0.00 N ATOM 992 CA LYS A 66 -8.412 9.392 -0.778 1.00 0.00 C ATOM 993 C LYS A 66 -8.611 8.375 0.351 1.00 0.00 C ATOM 994 O LYS A 66 -7.862 8.380 1.327 1.00 0.00 O ATOM 995 CB LYS A 66 -9.468 10.494 -0.677 1.00 0.00 C ATOM 996 CG LYS A 66 -8.896 11.896 -0.796 1.00 0.00 C ATOM 997 CD LYS A 66 -9.664 12.888 0.062 1.00 0.00 C ATOM 998 CE LYS A 66 -8.929 13.194 1.356 1.00 0.00 C ATOM 999 NZ LYS A 66 -9.322 12.264 2.452 1.00 0.00 N ATOM 0 H LYS A 66 -9.245 9.070 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.417 9.820 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.212 10.346 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.987 10.402 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.848 11.889 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.927 12.215 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.818 13.811 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.651 12.485 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.854 13.124 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.138 14.220 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.081 12.688 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.346 12.090 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.813 11.364 2.343 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.624 7.493 0.250 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.892 6.495 1.289 1.00 0.00 C ATOM 1015 C PRO A 67 -8.741 5.517 1.445 1.00 0.00 C ATOM 1016 O PRO A 67 -8.382 5.128 2.556 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.144 5.759 0.798 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.271 6.088 -0.650 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.577 7.403 -0.867 1.00 0.00 C ATOM 0 HA PRO A 67 -10.023 6.962 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.048 4.683 0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.027 6.080 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.819 5.308 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.320 6.154 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.067 7.431 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.283 8.233 -0.857 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.176 5.121 0.318 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.062 4.177 0.310 1.00 0.00 C ATOM 1029 C PHE A 68 -5.768 4.853 0.754 1.00 0.00 C ATOM 1030 O PHE A 68 -5.087 4.375 1.660 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.884 3.579 -1.087 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.978 2.383 -1.121 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.611 2.544 -1.261 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.494 1.100 -1.019 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.771 1.447 -1.299 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.659 0.000 -1.056 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.295 0.174 -1.196 1.00 0.00 C ATOM 0 H PHE A 68 -8.468 5.437 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.292 3.378 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.861 3.295 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.485 4.345 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.196 3.538 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.559 0.959 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.706 1.586 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.072 -0.995 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.640 -0.684 -1.225 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.436 5.969 0.110 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.223 6.709 0.440 1.00 0.00 C ATOM 1049 C GLU A 69 -4.218 7.118 1.908 1.00 0.00 C ATOM 1050 O GLU A 69 -3.165 7.192 2.540 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.103 7.950 -0.446 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.683 8.481 -0.560 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.535 9.882 0.005 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.191 10.806 -0.520 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.763 10.053 0.972 1.00 0.00 O ATOM 0 H GLU A 69 -5.989 6.380 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.369 6.057 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.474 7.712 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.745 8.735 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.005 7.808 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.383 8.483 -1.608 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.405 7.380 2.444 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.541 7.781 3.839 1.00 0.00 C ATOM 1064 C ASP A 70 -5.070 6.673 4.776 1.00 0.00 C ATOM 1065 O ASP A 70 -4.266 6.909 5.679 1.00 0.00 O ATOM 1066 CB ASP A 70 -6.996 8.144 4.147 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.244 9.638 4.089 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.785 10.352 5.005 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.898 10.094 3.127 1.00 0.00 O ATOM 0 H ASP A 70 -6.286 7.322 1.934 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.913 8.657 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.651 7.642 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.258 7.773 5.138 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.577 5.464 4.558 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.213 4.319 5.385 1.00 0.00 C ATOM 1076 C ALA A 71 -3.810 3.808 5.055 1.00 0.00 C ATOM 1077 O ALA A 71 -3.265 2.967 5.769 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.234 3.205 5.220 1.00 0.00 C ATOM 0 H ALA A 71 -6.242 5.252 3.814 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.209 4.648 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.950 2.356 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.217 3.565 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.267 2.894 4.176 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.231 4.315 3.971 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.896 3.900 3.554 1.00 0.00 C ATOM 1086 C ALA A 72 -0.851 4.256 4.607 1.00 0.00 C ATOM 1087 O ALA A 72 0.036 3.457 4.911 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.540 4.538 2.221 1.00 0.00 C ATOM 0 H ALA A 72 -3.664 5.013 3.366 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.901 2.816 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.541 4.220 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.262 4.228 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.561 5.623 2.320 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.961 5.460 5.155 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.025 5.927 6.172 1.00 0.00 C ATOM 1096 C PHE A 73 -0.576 5.709 7.579 1.00 0.00 C ATOM 1097 O PHE A 73 -0.090 6.304 8.541 1.00 0.00 O ATOM 1098 CB PHE A 73 0.283 7.412 5.964 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.943 8.252 5.752 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.686 8.701 6.831 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.356 8.588 4.473 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.817 9.472 6.641 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.486 9.358 4.275 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.218 9.799 5.360 1.00 0.00 C ATOM 0 H PHE A 73 -1.689 6.132 4.912 1.00 0.00 H new ATOM 0 HA PHE A 73 0.892 5.347 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.826 7.788 6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.942 7.521 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.378 8.445 7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.788 8.244 3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.386 9.818 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.797 9.615 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.103 10.399 5.207 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.591 4.857 7.698 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.195 4.574 8.994 1.00 0.00 C ATOM 1116 C ARG A 74 -1.633 3.287 9.584 1.00 0.00 C ATOM 1117 O ARG A 74 -1.541 3.137 10.801 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.715 4.470 8.860 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.417 5.819 8.838 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.787 5.746 9.497 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.040 6.897 10.361 1.00 0.00 N ATOM 1122 CZ ARG A 74 -5.511 7.045 11.573 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -4.702 6.117 12.070 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -5.792 8.124 12.292 1.00 0.00 N ATOM 0 H ARG A 74 -2.010 4.353 6.916 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.954 5.396 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.955 3.930 7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.105 3.880 9.689 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.803 6.558 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.525 6.157 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.557 5.694 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.859 4.830 10.083 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.659 7.630 10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.483 5.285 11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.300 6.236 13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.413 8.840 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.387 8.238 13.221 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.260 2.357 8.710 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.709 1.082 9.146 1.00 0.00 C ATOM 1140 C LEU A 75 0.803 1.042 8.963 1.00 0.00 C ATOM 1141 O LEU A 75 1.322 0.286 8.141 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.356 -0.069 8.376 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.810 -0.383 8.744 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.093 -1.846 8.487 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.105 -0.040 10.198 1.00 0.00 C ATOM 0 H LEU A 75 -1.330 2.464 7.698 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.928 0.971 10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.312 0.161 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.759 -0.967 8.533 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.460 0.232 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.127 -2.068 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.930 -2.068 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.426 -2.458 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.145 -0.276 10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.452 -0.621 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.930 1.023 10.364 1.00 0.00 H new ATOM 1157 N GLN A 76 1.502 1.844 9.750 1.00 0.00 N ATOM 1158 CA GLN A 76 2.956 1.888 9.694 1.00 0.00 C ATOM 1159 C GLN A 76 3.545 0.629 10.325 1.00 0.00 C ATOM 1160 O GLN A 76 4.704 0.284 10.093 1.00 0.00 O ATOM 1161 CB GLN A 76 3.477 3.133 10.413 1.00 0.00 C ATOM 1162 CG GLN A 76 3.484 4.378 9.541 1.00 0.00 C ATOM 1163 CD GLN A 76 4.662 5.288 9.832 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.619 5.350 9.062 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.596 6.001 10.951 1.00 0.00 N ATOM 0 H GLN A 76 1.086 2.474 10.436 1.00 0.00 H new ATOM 0 HA GLN A 76 3.264 1.934 8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.861 3.319 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.490 2.941 10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.509 4.082 8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.557 4.930 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.783 5.919 11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.359 6.631 11.200 1.00 0.00 H new ATOM 1174 N VAL A 77 2.725 -0.058 11.118 1.00 0.00 N ATOM 1175 CA VAL A 77 3.138 -1.288 11.781 1.00 0.00 C ATOM 1176 C VAL A 77 3.391 -2.393 10.761 1.00 0.00 C ATOM 1177 O VAL A 77 4.170 -3.313 11.009 1.00 0.00 O ATOM 1178 CB VAL A 77 2.064 -1.763 12.788 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.681 -1.720 12.155 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.372 -3.165 13.301 1.00 0.00 C ATOM 0 H VAL A 77 1.764 0.221 11.316 1.00 0.00 H new ATOM 0 HA VAL A 77 4.062 -1.075 12.319 1.00 0.00 H new ATOM 0 HB VAL A 77 2.079 -1.082 13.639 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.061 -2.058 12.879 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.452 -0.699 11.850 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.660 -2.373 11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.600 -3.472 14.007 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.396 -3.862 12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.341 -3.165 13.800 1.00 0.00 H new ATOM 1190 N GLY A 78 2.720 -2.302 9.619 1.00 0.00 N ATOM 1191 CA GLY A 78 2.879 -3.307 8.591 1.00 0.00 C ATOM 1192 C GLY A 78 1.813 -4.363 8.680 1.00 0.00 C ATOM 1193 O GLY A 78 2.107 -5.548 8.838 1.00 0.00 O ATOM 0 H GLY A 78 2.070 -1.550 9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.842 -2.834 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.861 -3.771 8.684 1.00 0.00 H new ATOM 1197 N GLU A 79 0.572 -3.929 8.610 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.551 -4.834 8.716 1.00 0.00 C ATOM 1199 C GLU A 79 -1.629 -4.474 7.713 1.00 0.00 C ATOM 1200 O GLU A 79 -1.518 -3.478 6.997 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.107 -4.761 10.126 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.818 -6.022 10.581 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.312 -5.824 10.754 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.719 -5.262 11.791 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.073 -6.233 9.851 1.00 0.00 O ATOM 0 H GLU A 79 0.316 -2.950 8.480 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.216 -5.848 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.290 -4.549 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.802 -3.923 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.643 -6.815 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.388 -6.355 11.526 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.679 -5.279 7.666 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.771 -5.019 6.752 1.00 0.00 C ATOM 1214 C VAL A 80 -4.754 -4.026 7.363 1.00 0.00 C ATOM 1215 O VAL A 80 -4.957 -4.010 8.577 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.515 -6.308 6.357 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.585 -6.009 5.318 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.535 -7.351 5.837 1.00 0.00 C ATOM 0 H VAL A 80 -2.795 -6.110 8.246 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.336 -4.593 5.848 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.004 -6.711 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.100 -6.931 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.302 -5.298 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.120 -5.583 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.078 -8.255 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.017 -6.959 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.808 -7.586 6.614 1.00 0.00 H new ATOM 1228 N SER A 81 -5.348 -3.191 6.518 1.00 0.00 N ATOM 1229 CA SER A 81 -6.290 -2.179 6.984 1.00 0.00 C ATOM 1230 C SER A 81 -7.729 -2.562 6.655 1.00 0.00 C ATOM 1231 O SER A 81 -7.982 -3.454 5.843 1.00 0.00 O ATOM 1232 CB SER A 81 -5.961 -0.824 6.358 1.00 0.00 C ATOM 1233 OG SER A 81 -6.434 0.240 7.166 1.00 0.00 O ATOM 0 H SER A 81 -5.195 -3.194 5.510 1.00 0.00 H new ATOM 0 HA SER A 81 -6.195 -2.112 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.883 -0.733 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.410 -0.759 5.367 1.00 0.00 H new ATOM 0 HG SER A 81 -5.680 0.802 7.442 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.666 -1.887 7.315 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.091 -2.145 7.133 1.00 0.00 C ATOM 1241 C GLU A 82 -10.493 -2.139 5.658 1.00 0.00 C ATOM 1242 O GLU A 82 -9.851 -1.503 4.817 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.911 -1.104 7.895 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.642 -1.096 9.391 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.794 0.085 9.826 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.811 0.399 9.123 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -10.115 0.694 10.867 1.00 0.00 O ATOM 0 H GLU A 82 -8.460 -1.149 7.988 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.295 -3.140 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.695 -0.115 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.971 -1.293 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.591 -1.074 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.139 -2.022 9.671 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.583 -2.847 5.326 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.080 -2.915 3.955 1.00 0.00 C ATOM 1256 C PRO A 83 -12.434 -1.537 3.413 1.00 0.00 C ATOM 1257 O PRO A 83 -13.454 -0.956 3.779 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.338 -3.790 4.060 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.706 -3.774 5.505 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.417 -3.624 6.256 1.00 0.00 C ATOM 0 HA PRO A 83 -11.333 -3.316 3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.145 -3.394 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.142 -4.805 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.385 -2.950 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.218 -4.694 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.559 -3.103 7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.970 -4.591 6.488 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.582 -1.020 2.537 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.802 0.292 1.940 1.00 0.00 C ATOM 1270 C VAL A 84 -12.362 0.151 0.531 1.00 0.00 C ATOM 1271 O VAL A 84 -11.631 -0.145 -0.413 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.497 1.111 1.866 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.753 2.475 1.248 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.868 1.257 3.241 1.00 0.00 C ATOM 0 H VAL A 84 -10.732 -1.489 2.224 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.514 0.814 2.578 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.797 0.571 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.819 3.036 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.147 2.349 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.476 3.020 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.949 1.838 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.564 1.767 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.639 0.270 3.643 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.668 0.361 0.400 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.331 0.250 -0.892 1.00 0.00 C ATOM 1286 C LYS A 85 -14.383 1.595 -1.605 1.00 0.00 C ATOM 1287 O LYS A 85 -15.073 2.517 -1.169 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.746 -0.299 -0.717 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.274 -1.013 -1.950 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.328 -0.083 -3.152 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.377 -0.533 -4.155 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.871 0.598 -4.987 1.00 0.00 N ATOM 0 H LYS A 85 -14.286 0.609 1.172 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.751 -0.439 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.758 -0.989 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.418 0.522 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.637 -1.867 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.271 -1.404 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.552 0.931 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.351 -0.052 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.954 -1.302 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.215 -0.987 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.246 0.231 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.625 1.101 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.088 1.254 -5.182 1.00 0.00 H new ATOM 1306 N SER A 86 -13.661 1.690 -2.713 1.00 0.00 N ATOM 1307 CA SER A 86 -13.632 2.912 -3.504 1.00 0.00 C ATOM 1308 C SER A 86 -14.425 2.724 -4.793 1.00 0.00 C ATOM 1309 O SER A 86 -15.106 1.714 -4.970 1.00 0.00 O ATOM 1310 CB SER A 86 -12.189 3.312 -3.821 1.00 0.00 C ATOM 1311 OG SER A 86 -11.271 2.615 -2.997 1.00 0.00 O ATOM 0 H SER A 86 -13.086 0.934 -3.085 1.00 0.00 H new ATOM 0 HA SER A 86 -14.092 3.712 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.973 3.103 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.067 4.386 -3.679 1.00 0.00 H new ATOM 0 HG SER A 86 -11.484 1.658 -3.007 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.336 3.700 -5.689 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.051 3.634 -6.961 1.00 0.00 C ATOM 1319 C GLU A 87 -14.683 2.375 -7.747 1.00 0.00 C ATOM 1320 O GLU A 87 -15.407 1.970 -8.656 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.746 4.876 -7.799 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.263 5.088 -8.054 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.636 6.061 -7.074 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.069 7.232 -7.041 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -11.714 5.650 -6.339 1.00 0.00 O ATOM 0 H GLU A 87 -13.778 4.544 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.118 3.595 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.263 4.795 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.148 5.754 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.747 4.130 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.122 5.459 -9.069 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.550 1.766 -7.403 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.090 0.564 -8.091 1.00 0.00 C ATOM 1334 C PHE A 88 -13.579 -0.708 -7.400 1.00 0.00 C ATOM 1335 O PHE A 88 -13.966 -1.672 -8.061 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.563 0.558 -8.168 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.015 1.271 -9.370 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.809 2.640 -9.343 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.707 0.572 -10.525 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.305 3.300 -10.448 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.202 1.225 -11.633 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.001 2.592 -11.595 1.00 0.00 C ATOM 0 H PHE A 88 -12.936 2.085 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.509 0.579 -9.097 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.161 1.022 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.213 -0.474 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.045 3.198 -8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.863 -0.496 -10.560 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.149 4.368 -10.415 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.965 0.668 -12.527 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.607 3.105 -12.460 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.551 -0.715 -6.070 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.986 -1.886 -5.324 1.00 0.00 C ATOM 1354 C GLY A 89 -13.451 -1.911 -3.916 1.00 0.00 C ATOM 1355 O GLY A 89 -12.849 -0.942 -3.452 1.00 0.00 O ATOM 0 H GLY A 89 -13.236 0.067 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.075 -1.909 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.662 -2.786 -5.847 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.673 -3.023 -3.232 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.218 -3.178 -1.871 1.00 0.00 C ATOM 1361 C TYR A 90 -11.715 -3.412 -1.844 1.00 0.00 C ATOM 1362 O TYR A 90 -11.235 -4.521 -2.078 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.978 -4.326 -1.222 1.00 0.00 C ATOM 1364 CG TYR A 90 -15.204 -3.867 -0.466 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -15.107 -3.399 0.839 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -16.455 -3.887 -1.066 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -16.228 -2.967 1.524 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -17.579 -3.454 -0.388 1.00 0.00 C ATOM 1369 CZ TYR A 90 -17.459 -2.996 0.906 1.00 0.00 C ATOM 1370 OH TYR A 90 -18.577 -2.564 1.584 1.00 0.00 O ATOM 0 H TYR A 90 -14.169 -3.832 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.415 -2.268 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.277 -5.038 -1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.313 -4.855 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -14.143 -3.372 1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -16.552 -4.247 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -16.139 -2.609 2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.545 -3.475 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 90 -19.364 -2.650 1.006 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.979 -2.335 -1.590 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.524 -2.375 -1.567 1.00 0.00 C ATOM 1382 C HIS A 91 -8.976 -2.874 -0.235 1.00 0.00 C ATOM 1383 O HIS A 91 -9.698 -2.995 0.754 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.968 -0.983 -1.861 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.300 -0.483 -3.232 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.478 0.169 -3.531 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.600 -0.542 -4.392 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.491 0.488 -4.812 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.362 0.069 -5.356 1.00 0.00 N ATOM 0 H HIS A 91 -11.373 -1.415 -1.395 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.206 -3.080 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.358 -0.282 -1.123 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.885 -1.001 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.626 -0.986 -4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.288 1.003 -5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.099 0.182 -6.335 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.675 -3.145 -0.233 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.966 -3.616 0.950 1.00 0.00 C ATOM 1400 C VAL A 92 -5.552 -3.048 0.949 1.00 0.00 C ATOM 1401 O VAL A 92 -4.968 -2.847 -0.116 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.900 -5.155 0.999 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.367 -5.623 2.344 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.270 -5.755 0.721 1.00 0.00 C ATOM 0 H VAL A 92 -7.081 -3.043 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.512 -3.275 1.830 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.214 -5.498 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.327 -6.712 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.366 -5.221 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.025 -5.272 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.206 -6.842 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.979 -5.407 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.609 -5.446 -0.268 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.007 -2.766 2.129 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.665 -2.191 2.213 1.00 0.00 C ATOM 1416 C ILE A 93 -2.777 -2.927 3.217 1.00 0.00 C ATOM 1417 O ILE A 93 -3.098 -3.016 4.400 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.713 -0.691 2.594 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.145 -0.152 2.510 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.785 0.117 1.694 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.254 1.331 2.797 1.00 0.00 C ATOM 0 H ILE A 93 -5.464 -2.922 3.028 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.232 -2.302 1.219 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.372 -0.590 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.541 -0.351 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.771 -0.697 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.831 1.169 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.763 -0.245 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.097 0.005 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.296 1.641 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.889 1.535 3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.655 1.886 2.075 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.641 -3.422 2.728 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.671 -4.125 3.566 1.00 0.00 C ATOM 1435 C LYS A 94 0.713 -3.512 3.366 1.00 0.00 C ATOM 1436 O LYS A 94 1.303 -3.628 2.295 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.648 -5.618 3.224 1.00 0.00 C ATOM 1438 CG LYS A 94 0.407 -6.403 3.990 1.00 0.00 C ATOM 1439 CD LYS A 94 0.257 -6.221 5.492 1.00 0.00 C ATOM 1440 CE LYS A 94 0.905 -7.363 6.259 1.00 0.00 C ATOM 1441 NZ LYS A 94 -0.085 -8.401 6.654 1.00 0.00 N ATOM 0 H LYS A 94 -1.368 -3.348 1.748 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.962 -4.021 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.629 -6.045 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.470 -5.734 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.327 -7.461 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.400 -6.077 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.710 -5.276 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.801 -6.163 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.682 -7.818 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.394 -6.970 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.340 -9.344 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.364 -8.256 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.925 -8.330 6.044 1.00 0.00 H new ATOM 1455 N ARG A 95 1.206 -2.819 4.390 1.00 0.00 N ATOM 1456 CA ARG A 95 2.495 -2.141 4.308 1.00 0.00 C ATOM 1457 C ARG A 95 3.628 -3.095 3.959 1.00 0.00 C ATOM 1458 O ARG A 95 3.747 -4.187 4.515 1.00 0.00 O ATOM 1459 CB ARG A 95 2.803 -1.429 5.627 1.00 0.00 C ATOM 1460 CG ARG A 95 3.123 0.047 5.455 1.00 0.00 C ATOM 1461 CD ARG A 95 4.427 0.425 6.144 1.00 0.00 C ATOM 1462 NE ARG A 95 5.237 1.325 5.328 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.522 1.584 5.561 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.146 1.013 6.585 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.184 2.416 4.770 1.00 0.00 N ATOM 0 H ARG A 95 0.731 -2.713 5.286 1.00 0.00 H new ATOM 0 HA ARG A 95 2.422 -1.409 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.948 -1.533 6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.647 -1.922 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.191 0.283 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.309 0.646 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.207 0.901 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.997 -0.478 6.362 1.00 0.00 H new ATOM 0 HE ARG A 95 4.792 1.782 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.641 0.373 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.131 1.215 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.709 2.858 3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.168 2.615 4.948 1.00 0.00 H new ATOM 1479 N LEU A 96 4.458 -2.649 3.022 1.00 0.00 N ATOM 1480 CA LEU A 96 5.593 -3.403 2.557 1.00 0.00 C ATOM 1481 C LEU A 96 6.622 -2.456 1.940 1.00 0.00 C ATOM 1482 O LEU A 96 6.357 -1.788 0.941 1.00 0.00 O ATOM 1483 CB LEU A 96 5.133 -4.448 1.535 1.00 0.00 C ATOM 1484 CG LEU A 96 5.356 -4.092 0.059 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.812 -4.314 -0.330 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.430 -4.905 -0.831 1.00 0.00 C ATOM 0 H LEU A 96 4.351 -1.743 2.566 1.00 0.00 H new ATOM 0 HA LEU A 96 6.059 -3.920 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.651 -5.384 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.069 -4.632 1.687 1.00 0.00 H new ATOM 0 HG LEU A 96 5.123 -3.036 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.951 -4.056 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.453 -3.684 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.074 -5.361 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.602 -4.639 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.629 -5.967 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.394 -4.692 -0.569 1.00 0.00 H new ATOM 1498 N GLY A 97 7.789 -2.400 2.548 1.00 0.00 N ATOM 1499 CA GLY A 97 8.843 -1.540 2.051 1.00 0.00 C ATOM 1500 C GLY A 97 10.219 -1.980 2.510 1.00 0.00 C ATOM 1501 O GLY A 97 11.092 -2.199 1.645 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.423 -2.105 3.735 1.00 0.00 O ATOM 0 H GLY A 97 8.031 -2.936 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.814 -1.528 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.662 -0.519 2.386 1.00 0.00 H new TER 1506 GLY A 97