USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 767 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 76 ASN : amide:sc= -5.33! C(o=-5.5!,f=-8.5!) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.133 K(o=-5.5,f=-9.3!) USER MOD Set 1.3: A 88 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= -2.01! USER MOD Set 2.2: A 29 GLN : amide:sc= -8.02! C(o=-10!,f=-22!) USER MOD Set 3.1: A 20 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.7!) USER MOD Set 3.2: A 85 GLN : amide:sc= 0 X(o=-0.43,f=-0.78) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= -0.241 (180deg=-1.45!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 150:sc= -0.828 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 64:sc= -0.485 USER MOD Single : A 15 ASN : amide:sc= -5.31! C(o=-5.3!,f=-10!) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00486 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 83:sc= 0.792 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -3:sc= 1.28 USER MOD Single : A 39 SER OG : rot -121:sc= -3.55! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= -3.56! (180deg=-7.71!) USER MOD Single : A 44 ASN : amide:sc= -0.616 K(o=-0.62,f=-0.049) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 38:sc= -2.64! USER MOD Single : A 63 ASN : amide:sc= -6.05! C(o=-6.1!,f=-6.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.183 K(o=-0.18,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.561 12.645 15.177 1.00 0.00 N ATOM 2 CA MET A 1 -10.919 11.312 15.002 1.00 0.00 C ATOM 3 C MET A 1 -10.660 11.059 13.516 1.00 0.00 C ATOM 4 O MET A 1 -10.939 11.892 12.676 1.00 0.00 O ATOM 5 CB MET A 1 -11.847 10.224 15.547 1.00 0.00 C ATOM 6 CG MET A 1 -13.196 10.300 14.831 1.00 0.00 C ATOM 7 SD MET A 1 -13.382 8.870 13.738 1.00 0.00 S ATOM 8 CE MET A 1 -15.118 9.145 13.301 1.00 0.00 C ATOM 0 H1 MET A 1 -12.365 12.560 15.832 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.868 13.316 15.565 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.899 12.991 14.256 1.00 0.00 H new ATOM 0 HA MET A 1 -9.974 11.292 15.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.399 9.241 15.399 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.985 10.353 16.621 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.006 10.321 15.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.262 11.223 14.254 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.450 8.362 12.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.728 9.122 14.204 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.222 10.116 12.817 1.00 0.00 H new ATOM 20 N SER A 2 -10.130 9.913 13.185 1.00 0.00 N ATOM 21 CA SER A 2 -9.855 9.605 11.754 1.00 0.00 C ATOM 22 C SER A 2 -9.052 8.307 11.657 1.00 0.00 C ATOM 23 O SER A 2 -7.853 8.290 11.854 1.00 0.00 O ATOM 24 CB SER A 2 -9.051 10.746 11.129 1.00 0.00 C ATOM 25 OG SER A 2 -8.271 10.238 10.055 1.00 0.00 O ATOM 0 H SER A 2 -9.876 9.177 13.844 1.00 0.00 H new ATOM 0 HA SER A 2 -10.799 9.491 11.221 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.723 11.525 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.405 11.204 11.878 1.00 0.00 H new ATOM 0 HG SER A 2 -7.755 10.967 9.652 1.00 0.00 H new ATOM 31 N TYR A 3 -9.702 7.218 11.353 1.00 0.00 N ATOM 32 CA TYR A 3 -8.973 5.925 11.240 1.00 0.00 C ATOM 33 C TYR A 3 -8.870 5.528 9.766 1.00 0.00 C ATOM 34 O TYR A 3 -9.596 4.679 9.288 1.00 0.00 O ATOM 35 CB TYR A 3 -9.728 4.841 12.015 1.00 0.00 C ATOM 36 CG TYR A 3 -11.202 4.917 11.691 1.00 0.00 C ATOM 37 CD1 TYR A 3 -12.036 5.772 12.420 1.00 0.00 C ATOM 38 CD2 TYR A 3 -11.733 4.128 10.664 1.00 0.00 C ATOM 39 CE1 TYR A 3 -13.403 5.839 12.122 1.00 0.00 C ATOM 40 CE2 TYR A 3 -13.099 4.195 10.366 1.00 0.00 C ATOM 41 CZ TYR A 3 -13.935 5.050 11.095 1.00 0.00 C ATOM 42 OH TYR A 3 -15.281 5.114 10.801 1.00 0.00 O ATOM 0 H TYR A 3 -10.706 7.168 11.178 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.972 6.033 11.657 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.339 3.857 11.755 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.574 4.972 13.086 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.626 6.380 13.212 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -11.089 3.468 10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.047 6.499 12.684 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.509 3.587 9.573 1.00 0.00 H new ATOM 0 HH TYR A 3 -15.484 4.504 10.062 1.00 0.00 H new ATOM 52 N ALA A 4 -7.976 6.139 9.040 1.00 0.00 N ATOM 53 CA ALA A 4 -7.831 5.801 7.597 1.00 0.00 C ATOM 54 C ALA A 4 -9.014 6.380 6.819 1.00 0.00 C ATOM 55 O ALA A 4 -10.105 6.512 7.338 1.00 0.00 O ATOM 56 CB ALA A 4 -7.806 4.280 7.427 1.00 0.00 C ATOM 0 H ALA A 4 -7.339 6.858 9.384 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.901 6.224 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.700 4.034 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.965 3.866 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.736 3.856 7.807 1.00 0.00 H new ATOM 62 N ARG A 5 -8.809 6.728 5.579 1.00 0.00 N ATOM 63 CA ARG A 5 -9.924 7.300 4.773 1.00 0.00 C ATOM 64 C ARG A 5 -10.077 6.506 3.473 1.00 0.00 C ATOM 65 O ARG A 5 -10.217 7.078 2.411 1.00 0.00 O ATOM 66 CB ARG A 5 -9.613 8.760 4.438 1.00 0.00 C ATOM 67 CG ARG A 5 -9.958 9.649 5.634 1.00 0.00 C ATOM 68 CD ARG A 5 -10.854 10.799 5.172 1.00 0.00 C ATOM 69 NE ARG A 5 -11.752 11.212 6.286 1.00 0.00 N ATOM 70 CZ ARG A 5 -11.272 11.882 7.298 1.00 0.00 C ATOM 71 NH1 ARG A 5 -10.701 13.039 7.102 1.00 0.00 N ATOM 72 NH2 ARG A 5 -11.361 11.395 8.506 1.00 0.00 N ATOM 0 H ARG A 5 -7.919 6.641 5.089 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.850 7.244 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.558 8.868 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.184 9.072 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.465 9.064 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.046 10.042 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.243 11.643 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.446 10.489 4.311 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.743 10.971 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.630 13.419 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.326 13.563 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.806 10.490 8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.986 11.919 9.296 1.00 0.00 H new ATOM 86 N PRO A 6 -10.046 5.207 3.601 1.00 0.00 N ATOM 87 CA PRO A 6 -10.189 4.372 2.390 1.00 0.00 C ATOM 88 C PRO A 6 -11.514 4.680 1.688 1.00 0.00 C ATOM 89 O PRO A 6 -12.581 4.403 2.201 1.00 0.00 O ATOM 90 CB PRO A 6 -10.169 2.934 2.908 1.00 0.00 C ATOM 91 CG PRO A 6 -10.586 3.004 4.389 1.00 0.00 C ATOM 92 CD PRO A 6 -10.342 4.452 4.844 1.00 0.00 C ATOM 0 HA PRO A 6 -9.400 4.554 1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.855 2.306 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.176 2.497 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.634 2.731 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.003 2.305 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.217 4.858 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.511 4.509 5.547 1.00 0.00 H new ATOM 100 N GLY A 7 -11.453 5.253 0.518 1.00 0.00 N ATOM 101 CA GLY A 7 -12.705 5.583 -0.221 1.00 0.00 C ATOM 102 C GLY A 7 -12.349 6.307 -1.520 1.00 0.00 C ATOM 103 O GLY A 7 -12.763 7.426 -1.752 1.00 0.00 O ATOM 0 H GLY A 7 -10.588 5.508 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.263 4.672 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.349 6.211 0.394 1.00 0.00 H new ATOM 107 N GLY A 8 -11.583 5.679 -2.367 1.00 0.00 N ATOM 108 CA GLY A 8 -11.198 6.332 -3.651 1.00 0.00 C ATOM 109 C GLY A 8 -11.522 5.396 -4.816 1.00 0.00 C ATOM 110 O GLY A 8 -12.479 4.647 -4.777 1.00 0.00 O ATOM 0 H GLY A 8 -11.206 4.742 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.734 7.274 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.134 6.569 -3.646 1.00 0.00 H new ATOM 114 N GLU A 9 -10.732 5.431 -5.853 1.00 0.00 N ATOM 115 CA GLU A 9 -10.994 4.544 -7.020 1.00 0.00 C ATOM 116 C GLU A 9 -9.810 4.615 -7.986 1.00 0.00 C ATOM 117 O GLU A 9 -9.552 5.635 -8.591 1.00 0.00 O ATOM 118 CB GLU A 9 -12.265 5.005 -7.736 1.00 0.00 C ATOM 119 CG GLU A 9 -12.145 6.488 -8.090 1.00 0.00 C ATOM 120 CD GLU A 9 -13.139 7.295 -7.252 1.00 0.00 C ATOM 121 OE1 GLU A 9 -13.558 6.794 -6.221 1.00 0.00 O ATOM 122 OE2 GLU A 9 -13.463 8.399 -7.655 1.00 0.00 O ATOM 0 H GLU A 9 -9.916 6.036 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.124 3.518 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.419 4.416 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.133 4.842 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.129 6.836 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.343 6.637 -9.151 1.00 0.00 H new ATOM 129 N SER A 10 -9.086 3.539 -8.135 1.00 0.00 N ATOM 130 CA SER A 10 -7.921 3.555 -9.062 1.00 0.00 C ATOM 131 C SER A 10 -7.454 2.125 -9.332 1.00 0.00 C ATOM 132 O SER A 10 -8.132 1.169 -9.017 1.00 0.00 O ATOM 133 CB SER A 10 -6.778 4.351 -8.432 1.00 0.00 C ATOM 134 OG SER A 10 -7.267 5.061 -7.301 1.00 0.00 O ATOM 0 H SER A 10 -9.251 2.653 -7.657 1.00 0.00 H new ATOM 0 HA SER A 10 -8.218 4.021 -10.002 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.973 3.679 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.360 5.047 -9.160 1.00 0.00 H new ATOM 0 HG SER A 10 -6.548 5.164 -6.644 1.00 0.00 H new ATOM 140 N ILE A 11 -6.297 1.981 -9.915 1.00 0.00 N ATOM 141 CA ILE A 11 -5.762 0.621 -10.218 1.00 0.00 C ATOM 142 C ILE A 11 -6.876 -0.276 -10.737 1.00 0.00 C ATOM 143 O ILE A 11 -6.885 -1.470 -10.515 1.00 0.00 O ATOM 144 CB ILE A 11 -5.157 0.002 -8.956 1.00 0.00 C ATOM 145 CG1 ILE A 11 -4.564 -1.377 -9.318 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.240 -0.118 -7.874 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.289 -2.523 -8.589 1.00 0.00 C ATOM 0 H ILE A 11 -5.693 2.753 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.989 0.713 -10.981 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.360 0.632 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.633 -1.531 -10.395 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.505 -1.396 -9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.809 -0.559 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.632 0.872 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.049 -0.752 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.841 -3.475 -8.872 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.197 -2.385 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.343 -2.522 -8.867 1.00 0.00 H new ATOM 159 N LYS A 12 -7.807 0.291 -11.436 1.00 0.00 N ATOM 160 CA LYS A 12 -8.928 -0.521 -11.994 1.00 0.00 C ATOM 161 C LYS A 12 -9.951 -0.872 -10.901 1.00 0.00 C ATOM 162 O LYS A 12 -11.116 -1.071 -11.185 1.00 0.00 O ATOM 163 CB LYS A 12 -8.365 -1.813 -12.590 1.00 0.00 C ATOM 164 CG LYS A 12 -9.210 -2.234 -13.795 1.00 0.00 C ATOM 165 CD LYS A 12 -9.382 -3.754 -13.790 1.00 0.00 C ATOM 166 CE LYS A 12 -10.792 -4.105 -13.314 1.00 0.00 C ATOM 167 NZ LYS A 12 -11.699 -4.225 -14.492 1.00 0.00 N ATOM 0 H LYS A 12 -7.846 1.287 -11.650 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.431 0.064 -12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.329 -1.664 -12.894 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.366 -2.603 -11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.184 -1.747 -13.758 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.729 -1.915 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.214 -4.153 -14.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.641 -4.213 -13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.777 -5.042 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.160 -3.336 -12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.658 -4.464 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.722 -3.321 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.350 -4.974 -15.124 1.00 0.00 H new ATOM 181 N ASP A 13 -9.540 -0.970 -9.662 1.00 0.00 N ATOM 182 CA ASP A 13 -10.512 -1.327 -8.592 1.00 0.00 C ATOM 183 C ASP A 13 -10.397 -0.357 -7.409 1.00 0.00 C ATOM 184 O ASP A 13 -11.243 0.490 -7.207 1.00 0.00 O ATOM 185 CB ASP A 13 -10.231 -2.743 -8.113 1.00 0.00 C ATOM 186 CG ASP A 13 -10.970 -3.743 -9.003 1.00 0.00 C ATOM 187 OD1 ASP A 13 -10.570 -3.899 -10.145 1.00 0.00 O ATOM 188 OD2 ASP A 13 -11.924 -4.337 -8.528 1.00 0.00 O ATOM 0 H ASP A 13 -8.581 -0.819 -9.350 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.521 -1.262 -8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.159 -2.940 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.551 -2.857 -7.077 1.00 0.00 H new ATOM 193 N THR A 14 -9.364 -0.484 -6.611 1.00 0.00 N ATOM 194 CA THR A 14 -9.216 0.422 -5.432 1.00 0.00 C ATOM 195 C THR A 14 -7.758 0.433 -4.950 1.00 0.00 C ATOM 196 O THR A 14 -7.359 -0.367 -4.132 1.00 0.00 O ATOM 197 CB THR A 14 -10.138 -0.070 -4.313 1.00 0.00 C ATOM 198 OG1 THR A 14 -11.041 -1.026 -4.845 1.00 0.00 O ATOM 199 CG2 THR A 14 -10.932 1.106 -3.746 1.00 0.00 C ATOM 0 H THR A 14 -8.621 -1.173 -6.725 1.00 0.00 H new ATOM 0 HA THR A 14 -9.490 1.438 -5.714 1.00 0.00 H new ATOM 0 HB THR A 14 -9.540 -0.520 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.542 -1.809 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.587 0.753 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.244 1.851 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.532 1.555 -4.537 1.00 0.00 H new ATOM 207 N ASN A 15 -6.965 1.348 -5.450 1.00 0.00 N ATOM 208 CA ASN A 15 -5.534 1.424 -5.024 1.00 0.00 C ATOM 209 C ASN A 15 -5.451 2.126 -3.664 1.00 0.00 C ATOM 210 O ASN A 15 -6.414 2.689 -3.194 1.00 0.00 O ATOM 211 CB ASN A 15 -4.741 2.220 -6.067 1.00 0.00 C ATOM 212 CG ASN A 15 -3.338 2.522 -5.538 1.00 0.00 C ATOM 213 OD1 ASN A 15 -2.417 1.760 -5.754 1.00 0.00 O ATOM 214 ND2 ASN A 15 -3.135 3.610 -4.847 1.00 0.00 N ATOM 0 H ASN A 15 -7.248 2.047 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.116 0.421 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.674 1.653 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.260 3.150 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.203 3.820 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.908 4.250 -4.665 1.00 0.00 H new ATOM 221 N LEU A 16 -4.313 2.102 -3.021 1.00 0.00 N ATOM 222 CA LEU A 16 -4.212 2.775 -1.690 1.00 0.00 C ATOM 223 C LEU A 16 -2.839 3.421 -1.506 1.00 0.00 C ATOM 224 O LEU A 16 -1.802 2.855 -1.825 1.00 0.00 O ATOM 225 CB LEU A 16 -4.522 1.785 -0.539 1.00 0.00 C ATOM 226 CG LEU A 16 -3.459 0.679 -0.405 1.00 0.00 C ATOM 227 CD1 LEU A 16 -4.068 -0.510 0.339 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.018 0.196 -1.775 1.00 0.00 C ATOM 0 H LEU A 16 -3.460 1.653 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.961 3.566 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.589 2.335 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.497 1.328 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.603 1.084 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.322 -1.298 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.393 -0.192 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.924 -0.889 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.267 -0.585 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.877 -0.203 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.593 1.029 -2.335 1.00 0.00 H new ATOM 240 N TYR A 17 -2.843 4.625 -0.998 1.00 0.00 N ATOM 241 CA TYR A 17 -1.576 5.373 -0.782 1.00 0.00 C ATOM 242 C TYR A 17 -0.979 4.981 0.566 1.00 0.00 C ATOM 243 O TYR A 17 -1.687 4.776 1.530 1.00 0.00 O ATOM 244 CB TYR A 17 -1.891 6.872 -0.785 1.00 0.00 C ATOM 245 CG TYR A 17 -0.613 7.672 -0.860 1.00 0.00 C ATOM 246 CD1 TYR A 17 0.303 7.631 0.196 1.00 0.00 C ATOM 247 CD2 TYR A 17 -0.349 8.460 -1.986 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.486 8.377 0.126 1.00 0.00 C ATOM 249 CE2 TYR A 17 0.834 9.206 -2.057 1.00 0.00 C ATOM 250 CZ TYR A 17 1.751 9.164 -1.001 1.00 0.00 C ATOM 251 OH TYR A 17 2.916 9.899 -1.070 1.00 0.00 O ATOM 0 H TYR A 17 -3.686 5.127 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.862 5.139 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.531 7.115 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.442 7.137 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.098 7.024 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.058 8.493 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.194 8.345 0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.038 9.813 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 17 2.944 10.388 -1.919 1.00 0.00 H new ATOM 261 N VAL A 18 0.317 4.882 0.651 1.00 0.00 N ATOM 262 CA VAL A 18 0.932 4.513 1.953 1.00 0.00 C ATOM 263 C VAL A 18 2.093 5.454 2.254 1.00 0.00 C ATOM 264 O VAL A 18 2.657 6.061 1.367 1.00 0.00 O ATOM 265 CB VAL A 18 1.439 3.073 1.900 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.253 2.122 1.738 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.392 2.908 0.716 1.00 0.00 C ATOM 0 H VAL A 18 0.971 5.039 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 18 0.182 4.598 2.740 1.00 0.00 H new ATOM 0 HB VAL A 18 1.968 2.841 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.613 1.094 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.425 2.238 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.277 2.355 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.753 1.880 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.866 3.141 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.238 3.585 0.833 1.00 0.00 H new ATOM 277 N THR A 19 2.451 5.593 3.500 1.00 0.00 N ATOM 278 CA THR A 19 3.578 6.513 3.836 1.00 0.00 C ATOM 279 C THR A 19 4.406 5.954 4.998 1.00 0.00 C ATOM 280 O THR A 19 3.947 5.134 5.766 1.00 0.00 O ATOM 281 CB THR A 19 3.016 7.880 4.226 1.00 0.00 C ATOM 282 OG1 THR A 19 1.622 7.914 3.951 1.00 0.00 O ATOM 283 CG2 THR A 19 3.723 8.973 3.421 1.00 0.00 C ATOM 0 H THR A 19 2.020 5.117 4.292 1.00 0.00 H new ATOM 0 HA THR A 19 4.223 6.609 2.963 1.00 0.00 H new ATOM 0 HB THR A 19 3.181 8.051 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.260 8.790 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.322 9.947 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.792 8.947 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.560 8.804 2.357 1.00 0.00 H new ATOM 291 N ASN A 20 5.625 6.407 5.128 1.00 0.00 N ATOM 292 CA ASN A 20 6.501 5.927 6.237 1.00 0.00 C ATOM 293 C ASN A 20 7.096 4.558 5.890 1.00 0.00 C ATOM 294 O ASN A 20 6.550 3.528 6.231 1.00 0.00 O ATOM 295 CB ASN A 20 5.685 5.818 7.527 1.00 0.00 C ATOM 296 CG ASN A 20 6.397 6.582 8.646 1.00 0.00 C ATOM 297 OD1 ASN A 20 7.572 6.872 8.548 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.728 6.920 9.714 1.00 0.00 N ATOM 0 H ASN A 20 6.054 7.094 4.509 1.00 0.00 H new ATOM 0 HA ASN A 20 7.313 6.640 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.685 6.224 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.564 4.771 7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.192 7.428 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.741 6.676 9.796 1.00 0.00 H new ATOM 305 N LEU A 21 8.222 4.540 5.228 1.00 0.00 N ATOM 306 CA LEU A 21 8.865 3.240 4.876 1.00 0.00 C ATOM 307 C LEU A 21 10.352 3.468 4.571 1.00 0.00 C ATOM 308 O LEU A 21 10.745 4.539 4.153 1.00 0.00 O ATOM 309 CB LEU A 21 8.144 2.591 3.678 1.00 0.00 C ATOM 310 CG LEU A 21 8.363 3.384 2.378 1.00 0.00 C ATOM 311 CD1 LEU A 21 8.217 4.885 2.626 1.00 0.00 C ATOM 312 CD2 LEU A 21 9.756 3.083 1.823 1.00 0.00 C ATOM 0 H LEU A 21 8.725 5.370 4.915 1.00 0.00 H new ATOM 0 HA LEU A 21 8.785 2.556 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.505 1.571 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.076 2.526 3.888 1.00 0.00 H new ATOM 0 HG LEU A 21 7.607 3.081 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.376 5.425 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.216 5.096 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.955 5.206 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.910 3.645 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.510 3.372 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.842 2.016 1.616 1.00 0.00 H new ATOM 324 N PRO A 22 11.138 2.454 4.829 1.00 0.00 N ATOM 325 CA PRO A 22 12.598 2.583 4.601 1.00 0.00 C ATOM 326 C PRO A 22 12.947 2.340 3.133 1.00 0.00 C ATOM 327 O PRO A 22 12.087 2.141 2.302 1.00 0.00 O ATOM 328 CB PRO A 22 13.218 1.501 5.485 1.00 0.00 C ATOM 329 CG PRO A 22 12.115 0.453 5.721 1.00 0.00 C ATOM 330 CD PRO A 22 10.776 1.154 5.441 1.00 0.00 C ATOM 0 HA PRO A 22 12.965 3.581 4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.084 1.051 5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.564 1.921 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.248 -0.405 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.149 0.078 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.155 0.562 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.206 1.296 6.359 1.00 0.00 H new ATOM 338 N ARG A 23 14.208 2.360 2.806 1.00 0.00 N ATOM 339 CA ARG A 23 14.607 2.136 1.391 1.00 0.00 C ATOM 340 C ARG A 23 14.521 0.649 1.054 1.00 0.00 C ATOM 341 O ARG A 23 14.846 0.237 -0.041 1.00 0.00 O ATOM 342 CB ARG A 23 16.037 2.623 1.175 1.00 0.00 C ATOM 343 CG ARG A 23 16.102 3.403 -0.136 1.00 0.00 C ATOM 344 CD ARG A 23 17.549 3.800 -0.423 1.00 0.00 C ATOM 345 NE ARG A 23 18.057 3.014 -1.581 1.00 0.00 N ATOM 346 CZ ARG A 23 19.151 2.313 -1.464 1.00 0.00 C ATOM 347 NH1 ARG A 23 19.120 1.149 -0.873 1.00 0.00 N ATOM 348 NH2 ARG A 23 20.276 2.777 -1.936 1.00 0.00 N ATOM 0 H ARG A 23 14.977 2.521 3.456 1.00 0.00 H new ATOM 0 HA ARG A 23 13.931 2.692 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 23 16.349 3.256 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 23 16.723 1.776 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.712 2.795 -0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.475 4.293 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 17.609 4.867 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 23 18.169 3.617 0.455 1.00 0.00 H new ATOM 0 HE ARG A 23 17.550 3.024 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 23 18.241 0.788 -0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 23 19.975 0.601 -0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.299 3.687 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 21.132 2.229 -1.845 1.00 0.00 H new ATOM 362 N THR A 24 14.071 -0.161 1.971 1.00 0.00 N ATOM 363 CA THR A 24 13.957 -1.606 1.673 1.00 0.00 C ATOM 364 C THR A 24 12.621 -1.832 0.960 1.00 0.00 C ATOM 365 O THR A 24 12.424 -1.368 -0.145 1.00 0.00 O ATOM 366 CB THR A 24 14.023 -2.405 2.979 1.00 0.00 C ATOM 367 OG1 THR A 24 15.193 -2.036 3.695 1.00 0.00 O ATOM 368 CG2 THR A 24 14.068 -3.902 2.667 1.00 0.00 C ATOM 0 H THR A 24 13.780 0.118 2.908 1.00 0.00 H new ATOM 0 HA THR A 24 14.775 -1.940 1.034 1.00 0.00 H new ATOM 0 HB THR A 24 13.140 -2.190 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.238 -2.544 4.532 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.115 -4.467 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.172 -4.186 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.950 -4.122 2.065 1.00 0.00 H new ATOM 376 N ILE A 25 11.694 -2.517 1.575 1.00 0.00 N ATOM 377 CA ILE A 25 10.371 -2.737 0.914 1.00 0.00 C ATOM 378 C ILE A 25 10.566 -3.074 -0.565 1.00 0.00 C ATOM 379 O ILE A 25 9.686 -2.859 -1.375 1.00 0.00 O ATOM 380 CB ILE A 25 9.577 -1.451 0.988 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.707 -0.836 2.383 1.00 0.00 C ATOM 382 CG2 ILE A 25 8.105 -1.736 0.684 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.446 -1.910 3.441 1.00 0.00 C ATOM 0 H ILE A 25 11.793 -2.932 2.501 1.00 0.00 H new ATOM 0 HA ILE A 25 9.857 -3.556 1.416 1.00 0.00 H new ATOM 0 HB ILE A 25 9.968 -0.748 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.704 -0.415 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.997 -0.017 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.536 -0.808 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.015 -2.159 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.713 -2.445 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.539 -1.472 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.440 -2.310 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.173 -2.714 3.330 1.00 0.00 H new ATOM 395 N THR A 26 11.714 -3.565 -0.918 1.00 0.00 N ATOM 396 CA THR A 26 12.004 -3.899 -2.345 1.00 0.00 C ATOM 397 C THR A 26 10.751 -4.441 -3.037 1.00 0.00 C ATOM 398 O THR A 26 9.824 -4.922 -2.402 1.00 0.00 O ATOM 399 CB THR A 26 13.122 -4.944 -2.411 1.00 0.00 C ATOM 400 OG1 THR A 26 12.668 -6.166 -1.849 1.00 0.00 O ATOM 401 CG2 THR A 26 14.340 -4.443 -1.633 1.00 0.00 C ATOM 0 H THR A 26 12.480 -3.754 -0.272 1.00 0.00 H new ATOM 0 HA THR A 26 12.320 -2.991 -2.859 1.00 0.00 H new ATOM 0 HB THR A 26 13.400 -5.108 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.385 -6.833 -1.894 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.134 -5.188 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.692 -3.509 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.063 -4.275 -0.592 1.00 0.00 H new ATOM 409 N ASP A 27 10.720 -4.358 -4.340 1.00 0.00 N ATOM 410 CA ASP A 27 9.542 -4.852 -5.100 1.00 0.00 C ATOM 411 C ASP A 27 9.352 -6.343 -4.834 1.00 0.00 C ATOM 412 O ASP A 27 8.257 -6.857 -4.913 1.00 0.00 O ATOM 413 CB ASP A 27 9.770 -4.624 -6.596 1.00 0.00 C ATOM 414 CG ASP A 27 9.523 -3.153 -6.935 1.00 0.00 C ATOM 415 OD1 ASP A 27 8.388 -2.720 -6.813 1.00 0.00 O ATOM 416 OD2 ASP A 27 10.471 -2.484 -7.312 1.00 0.00 O ATOM 0 H ASP A 27 11.468 -3.966 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 27 8.651 -4.311 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.788 -4.904 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.101 -5.259 -7.177 1.00 0.00 H new ATOM 421 N ASP A 28 10.405 -7.043 -4.522 1.00 0.00 N ATOM 422 CA ASP A 28 10.272 -8.501 -4.252 1.00 0.00 C ATOM 423 C ASP A 28 10.020 -8.726 -2.760 1.00 0.00 C ATOM 424 O ASP A 28 9.658 -9.806 -2.339 1.00 0.00 O ATOM 425 CB ASP A 28 11.559 -9.221 -4.661 1.00 0.00 C ATOM 426 CG ASP A 28 11.362 -10.731 -4.519 1.00 0.00 C ATOM 427 OD1 ASP A 28 11.574 -11.237 -3.429 1.00 0.00 O ATOM 428 OD2 ASP A 28 11.000 -11.356 -5.502 1.00 0.00 O ATOM 0 H ASP A 28 11.351 -6.670 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 28 9.435 -8.896 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.817 -8.972 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.388 -8.891 -4.036 1.00 0.00 H new ATOM 433 N GLN A 29 10.218 -7.718 -1.953 1.00 0.00 N ATOM 434 CA GLN A 29 9.997 -7.893 -0.492 1.00 0.00 C ATOM 435 C GLN A 29 8.512 -7.806 -0.165 1.00 0.00 C ATOM 436 O GLN A 29 7.903 -8.777 0.249 1.00 0.00 O ATOM 437 CB GLN A 29 10.751 -6.818 0.290 1.00 0.00 C ATOM 438 CG GLN A 29 11.849 -7.478 1.127 1.00 0.00 C ATOM 439 CD GLN A 29 13.005 -6.495 1.321 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.926 -5.359 0.901 1.00 0.00 O ATOM 441 NE2 GLN A 29 14.082 -6.887 1.944 1.00 0.00 N ATOM 0 H GLN A 29 10.521 -6.788 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 29 10.370 -8.876 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.187 -6.092 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.063 -6.273 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.450 -7.782 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.205 -8.381 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.148 -7.842 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.858 -6.239 2.078 1.00 0.00 H new ATOM 450 N LEU A 30 7.909 -6.664 -0.336 1.00 0.00 N ATOM 451 CA LEU A 30 6.462 -6.579 -0.017 1.00 0.00 C ATOM 452 C LEU A 30 5.732 -7.630 -0.853 1.00 0.00 C ATOM 453 O LEU A 30 4.716 -8.161 -0.454 1.00 0.00 O ATOM 454 CB LEU A 30 5.924 -5.179 -0.325 1.00 0.00 C ATOM 455 CG LEU A 30 5.692 -4.419 0.990 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.943 -4.523 1.863 1.00 0.00 C ATOM 457 CD2 LEU A 30 5.411 -2.946 0.686 1.00 0.00 C ATOM 0 H LEU A 30 8.344 -5.806 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 30 6.301 -6.766 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.631 -4.636 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.992 -5.251 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 30 4.840 -4.853 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.781 -3.984 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.149 -5.571 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.792 -4.088 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.246 -2.407 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.264 -2.513 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.522 -2.867 0.060 1.00 0.00 H new ATOM 469 N ASP A 31 6.262 -7.958 -2.002 1.00 0.00 N ATOM 470 CA ASP A 31 5.612 -8.998 -2.848 1.00 0.00 C ATOM 471 C ASP A 31 5.615 -10.321 -2.085 1.00 0.00 C ATOM 472 O ASP A 31 4.633 -11.037 -2.058 1.00 0.00 O ATOM 473 CB ASP A 31 6.394 -9.170 -4.151 1.00 0.00 C ATOM 474 CG ASP A 31 5.455 -8.970 -5.342 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.787 -9.923 -5.709 1.00 0.00 O ATOM 476 OD2 ASP A 31 5.420 -7.870 -5.868 1.00 0.00 O ATOM 0 H ASP A 31 7.114 -7.552 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 31 4.591 -8.696 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.211 -8.450 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.841 -10.163 -4.190 1.00 0.00 H new ATOM 481 N THR A 32 6.714 -10.646 -1.456 1.00 0.00 N ATOM 482 CA THR A 32 6.782 -11.916 -0.684 1.00 0.00 C ATOM 483 C THR A 32 5.648 -11.932 0.337 1.00 0.00 C ATOM 484 O THR A 32 4.826 -12.825 0.353 1.00 0.00 O ATOM 485 CB THR A 32 8.127 -12.011 0.041 1.00 0.00 C ATOM 486 OG1 THR A 32 9.175 -11.667 -0.856 1.00 0.00 O ATOM 487 CG2 THR A 32 8.336 -13.437 0.551 1.00 0.00 C ATOM 0 H THR A 32 7.566 -10.085 -1.445 1.00 0.00 H new ATOM 0 HA THR A 32 6.685 -12.764 -1.361 1.00 0.00 H new ATOM 0 HB THR A 32 8.132 -11.322 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.269 -10.692 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.294 -13.502 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.534 -13.698 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.329 -14.129 -0.291 1.00 0.00 H new ATOM 495 N ILE A 33 5.584 -10.939 1.185 1.00 0.00 N ATOM 496 CA ILE A 33 4.484 -10.906 2.188 1.00 0.00 C ATOM 497 C ILE A 33 3.150 -10.821 1.438 1.00 0.00 C ATOM 498 O ILE A 33 2.100 -11.118 1.973 1.00 0.00 O ATOM 499 CB ILE A 33 4.659 -9.694 3.114 1.00 0.00 C ATOM 500 CG1 ILE A 33 3.912 -9.951 4.426 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.104 -8.427 2.453 1.00 0.00 C ATOM 502 CD1 ILE A 33 4.553 -11.134 5.153 1.00 0.00 C ATOM 0 H ILE A 33 6.239 -10.158 1.225 1.00 0.00 H new ATOM 0 HA ILE A 33 4.503 -11.807 2.801 1.00 0.00 H new ATOM 0 HB ILE A 33 5.722 -9.550 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.945 -9.062 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.861 -10.160 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.237 -7.578 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.637 -8.239 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.043 -8.561 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.022 -11.318 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.497 -12.022 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.597 -10.907 5.368 1.00 0.00 H new ATOM 514 N PHE A 34 3.197 -10.424 0.196 1.00 0.00 N ATOM 515 CA PHE A 34 1.953 -10.322 -0.615 1.00 0.00 C ATOM 516 C PHE A 34 1.660 -11.685 -1.260 1.00 0.00 C ATOM 517 O PHE A 34 1.124 -12.570 -0.624 1.00 0.00 O ATOM 518 CB PHE A 34 2.156 -9.276 -1.714 1.00 0.00 C ATOM 519 CG PHE A 34 1.970 -7.879 -1.173 1.00 0.00 C ATOM 520 CD1 PHE A 34 0.923 -7.594 -0.291 1.00 0.00 C ATOM 521 CD2 PHE A 34 2.836 -6.858 -1.583 1.00 0.00 C ATOM 522 CE1 PHE A 34 0.742 -6.286 0.176 1.00 0.00 C ATOM 523 CE2 PHE A 34 2.658 -5.555 -1.113 1.00 0.00 C ATOM 524 CZ PHE A 34 1.612 -5.269 -0.237 1.00 0.00 C ATOM 0 H PHE A 34 4.052 -10.164 -0.295 1.00 0.00 H new ATOM 0 HA PHE A 34 1.118 -10.029 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.156 -9.376 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.449 -9.453 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.256 -8.380 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.644 -7.079 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.068 -6.062 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.330 -4.770 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.472 -4.261 0.124 1.00 0.00 H new ATOM 534 N GLY A 35 2.030 -11.847 -2.515 1.00 0.00 N ATOM 535 CA GLY A 35 1.815 -13.131 -3.257 1.00 0.00 C ATOM 536 C GLY A 35 0.765 -14.018 -2.583 1.00 0.00 C ATOM 537 O GLY A 35 1.059 -15.119 -2.166 1.00 0.00 O ATOM 0 H GLY A 35 2.484 -11.119 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.502 -12.911 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.758 -13.673 -3.323 1.00 0.00 H new ATOM 541 N LYS A 36 -0.457 -13.569 -2.487 1.00 0.00 N ATOM 542 CA LYS A 36 -1.497 -14.429 -1.852 1.00 0.00 C ATOM 543 C LYS A 36 -2.850 -13.707 -1.794 1.00 0.00 C ATOM 544 O LYS A 36 -3.885 -14.328 -1.925 1.00 0.00 O ATOM 545 CB LYS A 36 -1.058 -14.821 -0.438 1.00 0.00 C ATOM 546 CG LYS A 36 -1.184 -16.339 -0.270 1.00 0.00 C ATOM 547 CD LYS A 36 0.185 -16.995 -0.459 1.00 0.00 C ATOM 548 CE LYS A 36 0.136 -18.436 0.052 1.00 0.00 C ATOM 549 NZ LYS A 36 1.393 -18.746 0.788 1.00 0.00 N ATOM 0 H LYS A 36 -0.778 -12.658 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.613 -15.327 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.028 -14.509 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.674 -14.310 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.577 -16.574 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.892 -16.737 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.464 -16.981 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.947 -16.432 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.724 -18.571 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.012 -19.125 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.359 -19.726 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.206 -18.633 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.493 -18.096 1.594 1.00 0.00 H new ATOM 563 N TYR A 37 -2.874 -12.414 -1.593 1.00 0.00 N ATOM 564 CA TYR A 37 -4.200 -11.724 -1.529 1.00 0.00 C ATOM 565 C TYR A 37 -4.246 -10.523 -2.481 1.00 0.00 C ATOM 566 O TYR A 37 -4.635 -9.450 -2.085 1.00 0.00 O ATOM 567 CB TYR A 37 -4.481 -11.246 -0.096 1.00 0.00 C ATOM 568 CG TYR A 37 -3.222 -10.715 0.549 1.00 0.00 C ATOM 569 CD1 TYR A 37 -2.157 -11.578 0.822 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.126 -9.359 0.886 1.00 0.00 C ATOM 571 CE1 TYR A 37 -0.996 -11.090 1.427 1.00 0.00 C ATOM 572 CE2 TYR A 37 -1.963 -8.869 1.494 1.00 0.00 C ATOM 573 CZ TYR A 37 -0.898 -9.736 1.762 1.00 0.00 C ATOM 574 OH TYR A 37 0.250 -9.258 2.352 1.00 0.00 O ATOM 0 H TYR A 37 -2.055 -11.817 -1.473 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.962 -12.441 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.244 -10.467 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.878 -12.071 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.232 -12.624 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.949 -8.691 0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.174 -11.759 1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.889 -7.824 1.755 1.00 0.00 H new ATOM 0 HH TYR A 37 0.868 -10.001 2.514 1.00 0.00 H new ATOM 584 N GLY A 38 -3.876 -10.708 -3.732 1.00 0.00 N ATOM 585 CA GLY A 38 -3.913 -9.582 -4.735 1.00 0.00 C ATOM 586 C GLY A 38 -3.774 -8.238 -4.028 1.00 0.00 C ATOM 587 O GLY A 38 -4.482 -7.297 -4.319 1.00 0.00 O ATOM 0 H GLY A 38 -3.547 -11.598 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.108 -9.705 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.850 -9.613 -5.292 1.00 0.00 H new ATOM 591 N SER A 39 -2.879 -8.149 -3.089 1.00 0.00 N ATOM 592 CA SER A 39 -2.709 -6.875 -2.344 1.00 0.00 C ATOM 593 C SER A 39 -1.708 -5.986 -3.058 1.00 0.00 C ATOM 594 O SER A 39 -0.958 -5.260 -2.440 1.00 0.00 O ATOM 595 CB SER A 39 -2.210 -7.190 -0.941 1.00 0.00 C ATOM 596 OG SER A 39 -1.544 -8.444 -0.970 1.00 0.00 O ATOM 0 H SER A 39 -2.256 -8.905 -2.804 1.00 0.00 H new ATOM 0 HA SER A 39 -3.664 -6.352 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.532 -6.409 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.044 -7.220 -0.240 1.00 0.00 H new ATOM 0 HG SER A 39 -1.986 -9.063 -0.352 1.00 0.00 H new ATOM 602 N ILE A 40 -1.698 -6.041 -4.355 1.00 0.00 N ATOM 603 CA ILE A 40 -0.754 -5.208 -5.152 1.00 0.00 C ATOM 604 C ILE A 40 -0.707 -5.731 -6.581 1.00 0.00 C ATOM 605 O ILE A 40 -0.140 -6.772 -6.849 1.00 0.00 O ATOM 606 CB ILE A 40 0.669 -5.283 -4.583 1.00 0.00 C ATOM 607 CG1 ILE A 40 0.862 -6.598 -3.824 1.00 0.00 C ATOM 608 CG2 ILE A 40 0.926 -4.103 -3.647 1.00 0.00 C ATOM 609 CD1 ILE A 40 2.179 -7.236 -4.250 1.00 0.00 C ATOM 0 H ILE A 40 -2.313 -6.637 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.106 -4.177 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 40 1.378 -5.240 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.864 -6.414 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.033 -7.275 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.939 -4.168 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.811 -3.170 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.211 -4.129 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.320 -8.173 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.158 -7.433 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.002 -6.559 -4.022 1.00 0.00 H new ATOM 621 N VAL A 41 -1.248 -5.005 -7.513 1.00 0.00 N ATOM 622 CA VAL A 41 -1.170 -5.460 -8.920 1.00 0.00 C ATOM 623 C VAL A 41 0.118 -4.870 -9.514 1.00 0.00 C ATOM 624 O VAL A 41 0.331 -4.879 -10.708 1.00 0.00 O ATOM 625 CB VAL A 41 -2.408 -4.981 -9.698 1.00 0.00 C ATOM 626 CG1 VAL A 41 -3.647 -5.752 -9.227 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.647 -3.499 -9.437 1.00 0.00 C ATOM 0 H VAL A 41 -1.737 -4.123 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.150 -6.548 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.235 -5.152 -10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.521 -5.409 -9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.501 -6.818 -9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.801 -5.578 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.525 -3.169 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.810 -3.339 -8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.777 -2.928 -9.761 1.00 0.00 H new ATOM 637 N GLN A 42 0.982 -4.363 -8.653 1.00 0.00 N ATOM 638 CA GLN A 42 2.275 -3.765 -9.094 1.00 0.00 C ATOM 639 C GLN A 42 2.868 -2.966 -7.921 1.00 0.00 C ATOM 640 O GLN A 42 3.175 -1.798 -8.050 1.00 0.00 O ATOM 641 CB GLN A 42 2.040 -2.825 -10.282 1.00 0.00 C ATOM 642 CG GLN A 42 3.349 -2.119 -10.636 1.00 0.00 C ATOM 643 CD GLN A 42 3.661 -2.344 -12.117 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.966 -1.842 -12.979 1.00 0.00 O ATOM 645 NE2 GLN A 42 4.684 -3.082 -12.451 1.00 0.00 N ATOM 0 H GLN A 42 0.833 -4.343 -7.644 1.00 0.00 H new ATOM 0 HA GLN A 42 2.961 -4.555 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.675 -3.389 -11.140 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.274 -2.091 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.268 -1.052 -10.428 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.161 -2.503 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.267 -3.503 -11.728 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.901 -3.238 -13.435 1.00 0.00 H new ATOM 654 N LYS A 43 3.018 -3.584 -6.773 1.00 0.00 N ATOM 655 CA LYS A 43 3.575 -2.853 -5.588 1.00 0.00 C ATOM 656 C LYS A 43 4.761 -1.984 -6.019 1.00 0.00 C ATOM 657 O LYS A 43 5.526 -2.346 -6.893 1.00 0.00 O ATOM 658 CB LYS A 43 4.023 -3.861 -4.509 1.00 0.00 C ATOM 659 CG LYS A 43 5.307 -4.591 -4.940 1.00 0.00 C ATOM 660 CD LYS A 43 6.221 -4.825 -3.720 1.00 0.00 C ATOM 661 CE LYS A 43 6.617 -3.483 -3.092 1.00 0.00 C ATOM 662 NZ LYS A 43 7.173 -2.576 -4.136 1.00 0.00 N ATOM 0 H LYS A 43 2.779 -4.561 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 43 2.799 -2.211 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.195 -3.340 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.229 -4.587 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.054 -5.545 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.834 -4.003 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.706 -5.442 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.114 -5.370 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.748 -3.021 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.356 -3.643 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.175 -2.386 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.088 -3.027 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.644 -1.681 -4.135 1.00 0.00 H new ATOM 676 N ASN A 44 4.919 -0.832 -5.418 1.00 0.00 N ATOM 677 CA ASN A 44 6.055 0.060 -5.799 1.00 0.00 C ATOM 678 C ASN A 44 6.444 0.943 -4.609 1.00 0.00 C ATOM 679 O ASN A 44 5.622 1.274 -3.778 1.00 0.00 O ATOM 680 CB ASN A 44 5.629 0.948 -6.969 1.00 0.00 C ATOM 681 CG ASN A 44 6.865 1.583 -7.607 1.00 0.00 C ATOM 682 OD1 ASN A 44 6.885 2.769 -7.874 1.00 0.00 O ATOM 683 ND2 ASN A 44 7.904 0.840 -7.867 1.00 0.00 N ATOM 0 H ASN A 44 4.312 -0.472 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 44 6.910 -0.550 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.088 0.358 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.948 1.724 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.733 1.254 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.888 -0.155 -7.643 1.00 0.00 H new ATOM 690 N ILE A 45 7.689 1.333 -4.523 1.00 0.00 N ATOM 691 CA ILE A 45 8.120 2.202 -3.389 1.00 0.00 C ATOM 692 C ILE A 45 8.239 3.648 -3.867 1.00 0.00 C ATOM 693 O ILE A 45 7.976 3.960 -5.012 1.00 0.00 O ATOM 694 CB ILE A 45 9.482 1.745 -2.861 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.663 0.244 -3.100 1.00 0.00 C ATOM 696 CG2 ILE A 45 9.564 2.033 -1.361 1.00 0.00 C ATOM 697 CD1 ILE A 45 11.111 -0.148 -2.791 1.00 0.00 C ATOM 0 H ILE A 45 8.424 1.088 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 45 7.378 2.130 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 45 10.269 2.286 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.978 -0.321 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.420 -0.003 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.533 1.709 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.446 3.103 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.772 1.493 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.243 -1.217 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.785 0.408 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.337 0.085 -1.750 1.00 0.00 H new ATOM 709 N LEU A 46 8.635 4.535 -2.995 1.00 0.00 N ATOM 710 CA LEU A 46 8.773 5.964 -3.393 1.00 0.00 C ATOM 711 C LEU A 46 9.900 6.612 -2.580 1.00 0.00 C ATOM 712 O LEU A 46 9.744 6.904 -1.411 1.00 0.00 O ATOM 713 CB LEU A 46 7.456 6.687 -3.114 1.00 0.00 C ATOM 714 CG LEU A 46 7.275 7.827 -4.114 1.00 0.00 C ATOM 715 CD1 LEU A 46 8.395 8.853 -3.929 1.00 0.00 C ATOM 716 CD2 LEU A 46 7.325 7.271 -5.539 1.00 0.00 C ATOM 0 H LEU A 46 8.869 4.331 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 46 9.011 6.033 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.623 5.988 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.453 7.078 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 46 6.311 8.306 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.265 9.666 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.360 9.251 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.359 8.373 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.196 8.085 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.288 6.790 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.527 6.541 -5.673 1.00 0.00 H new ATOM 728 N ARG A 47 11.034 6.840 -3.189 1.00 0.00 N ATOM 729 CA ARG A 47 12.167 7.468 -2.447 1.00 0.00 C ATOM 730 C ARG A 47 12.418 8.878 -2.990 1.00 0.00 C ATOM 731 O ARG A 47 11.668 9.386 -3.798 1.00 0.00 O ATOM 732 CB ARG A 47 13.428 6.619 -2.628 1.00 0.00 C ATOM 733 CG ARG A 47 13.822 6.594 -4.107 1.00 0.00 C ATOM 734 CD ARG A 47 14.889 5.520 -4.333 1.00 0.00 C ATOM 735 NE ARG A 47 15.894 6.019 -5.314 1.00 0.00 N ATOM 736 CZ ARG A 47 17.155 5.721 -5.164 1.00 0.00 C ATOM 737 NH1 ARG A 47 17.502 4.693 -4.439 1.00 0.00 N ATOM 738 NH2 ARG A 47 18.070 6.455 -5.737 1.00 0.00 N ATOM 0 H ARG A 47 11.225 6.619 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 47 11.917 7.528 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.243 7.028 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.250 5.604 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.947 6.388 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.203 7.569 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.377 5.272 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.427 4.605 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 47 15.596 6.593 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.787 4.122 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.488 4.461 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.798 7.260 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.056 6.223 -5.621 1.00 0.00 H new ATOM 752 N ASP A 48 13.472 9.515 -2.550 1.00 0.00 N ATOM 753 CA ASP A 48 13.772 10.890 -3.040 1.00 0.00 C ATOM 754 C ASP A 48 14.273 10.824 -4.484 1.00 0.00 C ATOM 755 O ASP A 48 14.461 9.758 -5.037 1.00 0.00 O ATOM 756 CB ASP A 48 14.848 11.525 -2.156 1.00 0.00 C ATOM 757 CG ASP A 48 16.129 10.692 -2.231 1.00 0.00 C ATOM 758 OD1 ASP A 48 16.085 9.624 -2.819 1.00 0.00 O ATOM 759 OD2 ASP A 48 17.133 11.136 -1.698 1.00 0.00 O ATOM 0 H ASP A 48 14.137 9.141 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 48 12.865 11.493 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.046 12.546 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.499 11.582 -1.125 1.00 0.00 H new ATOM 764 N LYS A 49 14.491 11.954 -5.099 1.00 0.00 N ATOM 765 CA LYS A 49 14.979 11.954 -6.507 1.00 0.00 C ATOM 766 C LYS A 49 16.457 12.348 -6.537 1.00 0.00 C ATOM 767 O LYS A 49 17.313 11.562 -6.892 1.00 0.00 O ATOM 768 CB LYS A 49 14.170 12.959 -7.328 1.00 0.00 C ATOM 769 CG LYS A 49 12.817 12.346 -7.696 1.00 0.00 C ATOM 770 CD LYS A 49 11.717 13.395 -7.523 1.00 0.00 C ATOM 771 CE LYS A 49 10.959 13.562 -8.842 1.00 0.00 C ATOM 772 NZ LYS A 49 9.535 13.896 -8.559 1.00 0.00 N ATOM 0 H LYS A 49 14.352 12.877 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 49 14.860 10.957 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 49 14.023 13.876 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.716 13.230 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.835 11.990 -8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.613 11.482 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.031 13.091 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.152 14.347 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.417 14.351 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.019 12.644 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.020 14.009 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.102 13.129 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.487 14.783 -8.018 1.00 0.00 H new ATOM 786 N LEU A 50 16.764 13.563 -6.174 1.00 0.00 N ATOM 787 CA LEU A 50 18.185 14.009 -6.187 1.00 0.00 C ATOM 788 C LEU A 50 18.535 14.637 -4.837 1.00 0.00 C ATOM 789 O LEU A 50 19.601 14.419 -4.296 1.00 0.00 O ATOM 790 CB LEU A 50 18.383 15.043 -7.297 1.00 0.00 C ATOM 791 CG LEU A 50 19.687 14.755 -8.041 1.00 0.00 C ATOM 792 CD1 LEU A 50 19.391 14.548 -9.529 1.00 0.00 C ATOM 793 CD2 LEU A 50 20.642 15.941 -7.874 1.00 0.00 C ATOM 0 H LEU A 50 16.091 14.266 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 50 18.834 13.152 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 17.543 15.012 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 18.409 16.047 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 50 20.147 13.855 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 50 20.321 14.343 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 50 18.710 13.706 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 50 18.931 15.448 -9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.572 15.737 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.181 16.840 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.853 16.092 -6.815 1.00 0.00 H new ATOM 805 N THR A 51 17.646 15.418 -4.291 1.00 0.00 N ATOM 806 CA THR A 51 17.930 16.061 -2.978 1.00 0.00 C ATOM 807 C THR A 51 16.612 16.453 -2.306 1.00 0.00 C ATOM 808 O THR A 51 15.547 16.303 -2.871 1.00 0.00 O ATOM 809 CB THR A 51 18.787 17.309 -3.198 1.00 0.00 C ATOM 810 OG1 THR A 51 18.171 18.139 -4.175 1.00 0.00 O ATOM 811 CG2 THR A 51 20.176 16.896 -3.681 1.00 0.00 C ATOM 0 H THR A 51 16.736 15.639 -4.696 1.00 0.00 H new ATOM 0 HA THR A 51 18.467 15.362 -2.337 1.00 0.00 H new ATOM 0 HB THR A 51 18.879 17.857 -2.260 1.00 0.00 H new ATOM 0 HG1 THR A 51 18.718 18.940 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.786 17.786 -3.838 1.00 0.00 H new ATOM 0 HG22 THR A 51 20.647 16.260 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.087 16.347 -4.619 1.00 0.00 H new ATOM 819 N GLY A 52 16.674 16.954 -1.104 1.00 0.00 N ATOM 820 CA GLY A 52 15.424 17.352 -0.397 1.00 0.00 C ATOM 821 C GLY A 52 14.952 16.199 0.487 1.00 0.00 C ATOM 822 O GLY A 52 14.803 16.342 1.686 1.00 0.00 O ATOM 0 H GLY A 52 17.536 17.105 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.603 18.240 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.651 17.610 -1.120 1.00 0.00 H new ATOM 826 N ARG A 53 14.719 15.053 -0.091 1.00 0.00 N ATOM 827 CA ARG A 53 14.261 13.889 0.717 1.00 0.00 C ATOM 828 C ARG A 53 13.005 14.274 1.502 1.00 0.00 C ATOM 829 O ARG A 53 13.087 14.706 2.635 1.00 0.00 O ATOM 830 CB ARG A 53 15.366 13.474 1.698 1.00 0.00 C ATOM 831 CG ARG A 53 16.734 13.862 1.132 1.00 0.00 C ATOM 832 CD ARG A 53 17.838 13.260 2.003 1.00 0.00 C ATOM 833 NE ARG A 53 17.945 14.031 3.276 1.00 0.00 N ATOM 834 CZ ARG A 53 17.983 15.336 3.249 1.00 0.00 C ATOM 835 NH1 ARG A 53 18.802 15.948 2.439 1.00 0.00 N ATOM 836 NH2 ARG A 53 17.203 16.027 4.036 1.00 0.00 N ATOM 0 H ARG A 53 14.826 14.873 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 53 14.035 13.056 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.210 13.959 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.326 12.399 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.830 13.504 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.832 14.947 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.617 12.214 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.789 13.283 1.471 1.00 0.00 H new ATOM 0 HE ARG A 53 17.988 13.538 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.413 15.407 1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.832 16.967 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.565 15.547 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.232 17.046 4.016 1.00 0.00 H new ATOM 850 N PRO A 54 11.879 14.101 0.866 1.00 0.00 N ATOM 851 CA PRO A 54 10.611 14.443 1.548 1.00 0.00 C ATOM 852 C PRO A 54 10.442 13.585 2.803 1.00 0.00 C ATOM 853 O PRO A 54 10.245 14.088 3.891 1.00 0.00 O ATOM 854 CB PRO A 54 9.527 14.116 0.521 1.00 0.00 C ATOM 855 CG PRO A 54 10.145 13.091 -0.449 1.00 0.00 C ATOM 856 CD PRO A 54 11.671 13.221 -0.308 1.00 0.00 C ATOM 0 HA PRO A 54 10.572 15.483 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.642 13.706 1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.212 15.014 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.818 12.080 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.832 13.289 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.137 12.247 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.114 13.651 -1.206 1.00 0.00 H new ATOM 864 N ARG A 55 10.516 12.291 2.656 1.00 0.00 N ATOM 865 CA ARG A 55 10.362 11.391 3.833 1.00 0.00 C ATOM 866 C ARG A 55 10.377 9.938 3.359 1.00 0.00 C ATOM 867 O ARG A 55 10.927 9.069 4.006 1.00 0.00 O ATOM 868 CB ARG A 55 9.035 11.689 4.533 1.00 0.00 C ATOM 869 CG ARG A 55 7.939 11.888 3.484 1.00 0.00 C ATOM 870 CD ARG A 55 7.355 13.294 3.618 1.00 0.00 C ATOM 871 NE ARG A 55 6.339 13.306 4.706 1.00 0.00 N ATOM 872 CZ ARG A 55 5.679 14.399 4.969 1.00 0.00 C ATOM 873 NH1 ARG A 55 6.205 15.309 5.743 1.00 0.00 N ATOM 874 NH2 ARG A 55 4.492 14.583 4.459 1.00 0.00 N ATOM 0 H ARG A 55 10.677 11.817 1.768 1.00 0.00 H new ATOM 0 HA ARG A 55 11.182 11.556 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.771 10.868 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.130 12.583 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.348 11.746 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.155 11.143 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.147 14.009 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.900 13.602 2.677 1.00 0.00 H new ATOM 0 HE ARG A 55 6.159 12.459 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.133 15.165 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.688 16.164 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.081 13.872 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.975 15.438 4.665 1.00 0.00 H new ATOM 888 N GLY A 56 9.781 9.667 2.229 1.00 0.00 N ATOM 889 CA GLY A 56 9.766 8.270 1.712 1.00 0.00 C ATOM 890 C GLY A 56 8.359 7.688 1.845 1.00 0.00 C ATOM 891 O GLY A 56 7.877 7.445 2.935 1.00 0.00 O ATOM 0 H GLY A 56 9.305 10.352 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.079 8.255 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.477 7.659 2.267 1.00 0.00 H new ATOM 895 N VAL A 57 7.695 7.459 0.744 1.00 0.00 N ATOM 896 CA VAL A 57 6.320 6.889 0.807 1.00 0.00 C ATOM 897 C VAL A 57 6.243 5.646 -0.086 1.00 0.00 C ATOM 898 O VAL A 57 7.203 5.277 -0.736 1.00 0.00 O ATOM 899 CB VAL A 57 5.311 7.938 0.323 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.669 9.296 0.928 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.356 8.039 -1.205 1.00 0.00 C ATOM 0 H VAL A 57 8.046 7.642 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 57 6.085 6.610 1.834 1.00 0.00 H new ATOM 0 HB VAL A 57 4.309 7.644 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.955 10.046 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.635 9.230 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.673 9.581 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.637 8.786 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.357 8.331 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.106 7.072 -1.641 1.00 0.00 H new ATOM 911 N ALA A 58 5.110 4.998 -0.125 1.00 0.00 N ATOM 912 CA ALA A 58 4.977 3.785 -0.978 1.00 0.00 C ATOM 913 C ALA A 58 3.611 3.784 -1.659 1.00 0.00 C ATOM 914 O ALA A 58 2.786 4.649 -1.433 1.00 0.00 O ATOM 915 CB ALA A 58 5.102 2.526 -0.118 1.00 0.00 C ATOM 0 H ALA A 58 4.273 5.257 0.397 1.00 0.00 H new ATOM 0 HA ALA A 58 5.767 3.795 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.004 1.643 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.076 2.515 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.316 2.522 0.637 1.00 0.00 H new ATOM 921 N PHE A 59 3.367 2.810 -2.488 1.00 0.00 N ATOM 922 CA PHE A 59 2.059 2.735 -3.188 1.00 0.00 C ATOM 923 C PHE A 59 1.672 1.269 -3.385 1.00 0.00 C ATOM 924 O PHE A 59 2.277 0.558 -4.168 1.00 0.00 O ATOM 925 CB PHE A 59 2.173 3.413 -4.555 1.00 0.00 C ATOM 926 CG PHE A 59 1.444 4.735 -4.537 1.00 0.00 C ATOM 927 CD1 PHE A 59 0.112 4.795 -4.108 1.00 0.00 C ATOM 928 CD2 PHE A 59 2.100 5.901 -4.952 1.00 0.00 C ATOM 929 CE1 PHE A 59 -0.564 6.022 -4.098 1.00 0.00 C ATOM 930 CE2 PHE A 59 1.423 7.127 -4.941 1.00 0.00 C ATOM 931 CZ PHE A 59 0.092 7.187 -4.513 1.00 0.00 C ATOM 0 H PHE A 59 4.021 2.060 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 59 1.299 3.239 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.222 3.570 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.754 2.767 -5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.393 3.897 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.128 5.855 -5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.592 6.069 -3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.928 8.026 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.429 8.133 -4.503 1.00 0.00 H new ATOM 941 N VAL A 60 0.655 0.814 -2.703 1.00 0.00 N ATOM 942 CA VAL A 60 0.218 -0.599 -2.885 1.00 0.00 C ATOM 943 C VAL A 60 -0.919 -0.570 -3.904 1.00 0.00 C ATOM 944 O VAL A 60 -1.651 0.395 -3.997 1.00 0.00 O ATOM 945 CB VAL A 60 -0.257 -1.179 -1.536 1.00 0.00 C ATOM 946 CG1 VAL A 60 -1.113 -2.441 -1.744 1.00 0.00 C ATOM 947 CG2 VAL A 60 0.954 -1.558 -0.684 1.00 0.00 C ATOM 0 H VAL A 60 0.111 1.356 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 60 1.032 -1.233 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.856 -0.417 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.433 -2.827 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.989 -2.192 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.524 -3.199 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.615 -1.967 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.549 -2.305 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.563 -0.672 -0.502 1.00 0.00 H new ATOM 957 N ARG A 61 -1.069 -1.582 -4.697 1.00 0.00 N ATOM 958 CA ARG A 61 -2.154 -1.535 -5.705 1.00 0.00 C ATOM 959 C ARG A 61 -3.154 -2.665 -5.457 1.00 0.00 C ATOM 960 O ARG A 61 -3.321 -3.558 -6.260 1.00 0.00 O ATOM 961 CB ARG A 61 -1.549 -1.642 -7.101 1.00 0.00 C ATOM 962 CG ARG A 61 -0.996 -0.274 -7.512 1.00 0.00 C ATOM 963 CD ARG A 61 -0.116 -0.422 -8.754 1.00 0.00 C ATOM 964 NE ARG A 61 0.151 0.927 -9.332 1.00 0.00 N ATOM 965 CZ ARG A 61 1.281 1.165 -9.941 1.00 0.00 C ATOM 966 NH1 ARG A 61 1.561 0.557 -11.061 1.00 0.00 N ATOM 967 NH2 ARG A 61 2.131 2.013 -9.429 1.00 0.00 N ATOM 0 H ARG A 61 -0.499 -2.428 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.689 -0.589 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.754 -2.388 -7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.304 -1.972 -7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.817 0.414 -7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.417 0.155 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.823 -0.911 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.610 -1.055 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.550 1.664 -9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.897 -0.105 -11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.444 0.744 -11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.912 2.489 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.014 2.200 -9.904 1.00 0.00 H new ATOM 981 N TYR A 62 -3.835 -2.615 -4.349 1.00 0.00 N ATOM 982 CA TYR A 62 -4.841 -3.664 -4.038 1.00 0.00 C ATOM 983 C TYR A 62 -6.107 -3.367 -4.833 1.00 0.00 C ATOM 984 O TYR A 62 -6.957 -2.621 -4.397 1.00 0.00 O ATOM 985 CB TYR A 62 -5.163 -3.613 -2.548 1.00 0.00 C ATOM 986 CG TYR A 62 -5.475 -4.996 -2.053 1.00 0.00 C ATOM 987 CD1 TYR A 62 -6.097 -5.917 -2.899 1.00 0.00 C ATOM 988 CD2 TYR A 62 -5.137 -5.359 -0.748 1.00 0.00 C ATOM 989 CE1 TYR A 62 -6.384 -7.204 -2.435 1.00 0.00 C ATOM 990 CE2 TYR A 62 -5.421 -6.644 -0.283 1.00 0.00 C ATOM 991 CZ TYR A 62 -6.044 -7.566 -1.126 1.00 0.00 C ATOM 992 OH TYR A 62 -6.339 -8.830 -0.664 1.00 0.00 O ATOM 0 H TYR A 62 -3.737 -1.887 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.456 -4.650 -4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.318 -3.200 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.012 -2.952 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.356 -5.636 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.655 -4.644 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -6.867 -7.918 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.159 -6.924 0.727 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.200 -9.482 -1.383 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.235 -3.912 -6.009 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.444 -3.602 -6.817 1.00 0.00 C ATOM 1004 C ASN A 63 -8.717 -3.739 -5.975 1.00 0.00 C ATOM 1005 O ASN A 63 -9.235 -2.770 -5.465 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.578 -4.524 -8.023 1.00 0.00 C ATOM 1007 CG ASN A 63 -6.777 -5.810 -7.810 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -6.669 -6.298 -6.703 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -6.210 -6.384 -8.835 1.00 0.00 N ATOM 0 H ASN A 63 -5.566 -4.549 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.324 -2.574 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.628 -4.766 -8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.225 -4.013 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.675 -7.243 -8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.301 -5.974 -9.764 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.231 -4.947 -5.874 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.500 -5.218 -5.111 1.00 0.00 C ATOM 1018 C LYS A 64 -10.768 -4.155 -4.043 1.00 0.00 C ATOM 1019 O LYS A 64 -9.866 -3.644 -3.418 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.398 -6.580 -4.433 1.00 0.00 C ATOM 1021 CG LYS A 64 -11.602 -7.436 -4.828 1.00 0.00 C ATOM 1022 CD LYS A 64 -12.884 -6.776 -4.315 1.00 0.00 C ATOM 1023 CE LYS A 64 -13.986 -7.830 -4.184 1.00 0.00 C ATOM 1024 NZ LYS A 64 -14.257 -8.087 -2.741 1.00 0.00 N ATOM 0 H LYS A 64 -8.814 -5.776 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.324 -5.197 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.473 -7.076 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.364 -6.458 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.645 -7.546 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.503 -8.438 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.701 -6.304 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.199 -5.989 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.894 -7.486 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.682 -8.753 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.006 -8.803 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.390 -8.432 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.564 -7.205 -2.283 1.00 0.00 H new ATOM 1038 N ARG A 65 -12.019 -3.828 -3.835 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.373 -2.795 -2.811 1.00 0.00 C ATOM 1040 C ARG A 65 -12.312 -3.397 -1.403 1.00 0.00 C ATOM 1041 O ARG A 65 -11.670 -2.859 -0.523 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.786 -2.249 -3.074 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.684 -3.342 -3.663 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.685 -3.236 -5.190 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.996 -2.697 -5.651 1.00 0.00 N ATOM 1046 CZ ARG A 65 -17.100 -3.339 -5.373 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -17.479 -4.335 -6.124 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -17.822 -2.981 -4.347 1.00 0.00 N ATOM 0 H ARG A 65 -12.813 -4.233 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.653 -1.980 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.217 -1.878 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.734 -1.404 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.327 -4.325 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.699 -3.238 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.876 -2.585 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.507 -4.216 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.032 -1.828 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.914 -4.612 -6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -18.340 -4.837 -5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.525 -2.200 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.684 -3.482 -4.130 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.965 -4.504 -1.174 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.920 -5.114 0.184 1.00 0.00 C ATOM 1064 C GLU A 66 -11.498 -5.600 0.442 1.00 0.00 C ATOM 1065 O GLU A 66 -10.963 -5.467 1.527 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.892 -6.294 0.258 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.250 -6.569 1.721 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.884 -7.957 1.841 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.620 -8.784 0.985 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -15.624 -8.168 2.789 1.00 0.00 O ATOM 0 H GLU A 66 -13.523 -5.008 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.209 -4.379 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.794 -6.073 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.441 -7.179 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.356 -6.511 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.941 -5.809 2.086 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.876 -6.152 -0.559 1.00 0.00 N ATOM 1078 CA GLU A 67 -9.487 -6.636 -0.384 1.00 0.00 C ATOM 1079 C GLU A 67 -8.560 -5.421 -0.214 1.00 0.00 C ATOM 1080 O GLU A 67 -7.560 -5.485 0.477 1.00 0.00 O ATOM 1081 CB GLU A 67 -9.091 -7.483 -1.593 1.00 0.00 C ATOM 1082 CG GLU A 67 -10.253 -8.415 -1.957 1.00 0.00 C ATOM 1083 CD GLU A 67 -9.760 -9.497 -2.918 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.558 -9.689 -2.997 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -10.594 -10.118 -3.558 1.00 0.00 O ATOM 0 H GLU A 67 -11.271 -6.288 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.403 -7.262 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.846 -6.840 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.198 -8.066 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.661 -8.873 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.059 -7.845 -2.418 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.899 -4.292 -0.789 1.00 0.00 N ATOM 1093 CA ALA A 68 -8.036 -3.095 -0.578 1.00 0.00 C ATOM 1094 C ALA A 68 -8.092 -2.786 0.918 1.00 0.00 C ATOM 1095 O ALA A 68 -7.097 -2.477 1.549 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.547 -1.893 -1.393 1.00 0.00 C ATOM 0 H ALA A 68 -9.717 -4.151 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.016 -3.289 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.899 -1.034 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.542 -2.144 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.563 -1.649 -1.083 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.257 -2.921 1.499 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.392 -2.692 2.962 1.00 0.00 C ATOM 1104 C GLN A 69 -8.510 -3.717 3.669 1.00 0.00 C ATOM 1105 O GLN A 69 -8.008 -3.492 4.751 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.852 -2.896 3.383 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.226 -1.865 4.451 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.180 -2.502 5.463 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -12.003 -3.641 5.852 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.194 -1.812 5.911 1.00 0.00 N ATOM 0 H GLN A 69 -10.119 -3.180 1.020 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.092 -1.677 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.508 -2.794 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.992 -3.905 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.329 -1.507 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.697 -0.999 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.344 -0.857 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.836 -2.228 6.586 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.310 -4.847 3.047 1.00 0.00 N ATOM 1120 CA GLU A 70 -7.448 -5.892 3.660 1.00 0.00 C ATOM 1121 C GLU A 70 -6.069 -5.307 3.917 1.00 0.00 C ATOM 1122 O GLU A 70 -5.657 -5.133 5.044 1.00 0.00 O ATOM 1123 CB GLU A 70 -7.294 -7.066 2.694 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.621 -8.373 3.419 1.00 0.00 C ATOM 1125 CD GLU A 70 -6.742 -8.499 4.663 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -5.700 -7.865 4.696 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -7.125 -9.229 5.563 1.00 0.00 O ATOM 0 H GLU A 70 -8.708 -5.090 2.140 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.903 -6.232 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.958 -6.936 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.276 -7.099 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.674 -8.391 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.454 -9.221 2.755 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.346 -5.012 2.875 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.983 -4.450 3.064 1.00 0.00 C ATOM 1136 C ALA A 71 -4.069 -3.198 3.935 1.00 0.00 C ATOM 1137 O ALA A 71 -3.090 -2.750 4.490 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.369 -4.098 1.710 1.00 0.00 C ATOM 0 H ALA A 71 -5.638 -5.135 1.906 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.352 -5.192 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.371 -3.687 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.304 -4.996 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.994 -3.360 1.208 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.226 -2.624 4.072 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.328 -1.411 4.928 1.00 0.00 C ATOM 1146 C ILE A 72 -5.123 -1.817 6.392 1.00 0.00 C ATOM 1147 O ILE A 72 -4.205 -1.367 7.051 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.709 -0.771 4.762 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.847 -0.228 3.328 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.880 0.356 5.787 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.364 1.226 3.250 1.00 0.00 C ATOM 0 H ILE A 72 -6.095 -2.934 3.637 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.566 -0.690 4.632 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.487 -1.515 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.267 -0.846 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.888 -0.288 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.864 0.810 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.788 -0.051 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.110 1.111 5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.470 1.590 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.962 1.844 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.316 1.278 3.547 1.00 0.00 H new ATOM 1163 N SER A 73 -5.979 -2.664 6.899 1.00 0.00 N ATOM 1164 CA SER A 73 -5.865 -3.103 8.322 1.00 0.00 C ATOM 1165 C SER A 73 -4.924 -4.307 8.455 1.00 0.00 C ATOM 1166 O SER A 73 -4.770 -4.861 9.526 1.00 0.00 O ATOM 1167 CB SER A 73 -7.253 -3.504 8.820 1.00 0.00 C ATOM 1168 OG SER A 73 -7.504 -2.884 10.076 1.00 0.00 O ATOM 0 H SER A 73 -6.759 -3.074 6.385 1.00 0.00 H new ATOM 0 HA SER A 73 -5.460 -2.281 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.011 -3.204 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.317 -4.588 8.918 1.00 0.00 H new ATOM 0 HG SER A 73 -8.395 -3.140 10.395 1.00 0.00 H new ATOM 1174 N ALA A 74 -4.299 -4.727 7.392 1.00 0.00 N ATOM 1175 CA ALA A 74 -3.385 -5.903 7.492 1.00 0.00 C ATOM 1176 C ALA A 74 -2.048 -5.584 6.819 1.00 0.00 C ATOM 1177 O ALA A 74 -1.142 -6.395 6.805 1.00 0.00 O ATOM 1178 CB ALA A 74 -4.029 -7.106 6.799 1.00 0.00 C ATOM 0 H ALA A 74 -4.379 -4.312 6.464 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.210 -6.133 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.364 -7.966 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.977 -7.340 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.205 -6.870 5.750 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.916 -4.413 6.265 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.637 -4.046 5.595 1.00 0.00 C ATOM 1186 C LEU A 75 -0.135 -2.708 6.138 1.00 0.00 C ATOM 1187 O LEU A 75 1.044 -2.424 6.080 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.856 -3.924 4.089 1.00 0.00 C ATOM 1189 CG LEU A 75 0.431 -4.284 3.355 1.00 0.00 C ATOM 1190 CD1 LEU A 75 0.474 -5.793 3.107 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.462 -3.544 2.020 1.00 0.00 C ATOM 0 H LEU A 75 -2.638 -3.693 6.247 1.00 0.00 H new ATOM 0 HA LEU A 75 0.101 -4.823 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.663 -4.585 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.159 -2.908 3.836 1.00 0.00 H new ATOM 0 HG LEU A 75 1.293 -3.996 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.394 -6.049 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.441 -6.320 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.383 -6.087 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.379 -3.794 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.399 -3.839 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.428 -2.469 2.199 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.009 -1.883 6.671 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.551 -0.571 7.219 1.00 0.00 C ATOM 1205 C ASN A 76 0.762 -0.780 7.969 1.00 0.00 C ATOM 1206 O ASN A 76 1.588 0.105 8.069 1.00 0.00 O ATOM 1207 CB ASN A 76 -1.609 -0.017 8.175 1.00 0.00 C ATOM 1208 CG ASN A 76 -1.054 1.214 8.897 1.00 0.00 C ATOM 1209 OD1 ASN A 76 0.027 1.175 9.451 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.756 2.314 8.918 1.00 0.00 N ATOM 0 H ASN A 76 -2.010 -2.063 6.748 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.401 0.138 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.510 0.249 7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.893 -0.779 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.397 3.139 9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.663 2.349 8.454 1.00 0.00 H new ATOM 1217 N ASN A 77 0.953 -1.955 8.488 1.00 0.00 N ATOM 1218 CA ASN A 77 2.204 -2.263 9.229 1.00 0.00 C ATOM 1219 C ASN A 77 2.897 -3.472 8.587 1.00 0.00 C ATOM 1220 O ASN A 77 2.852 -4.568 9.112 1.00 0.00 O ATOM 1221 CB ASN A 77 1.867 -2.591 10.686 1.00 0.00 C ATOM 1222 CG ASN A 77 1.560 -1.300 11.447 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.917 -0.224 11.013 1.00 0.00 O ATOM 1224 ND2 ASN A 77 0.906 -1.364 12.575 1.00 0.00 N ATOM 0 H ASN A 77 0.288 -2.726 8.430 1.00 0.00 H new ATOM 0 HA ASN A 77 2.867 -1.399 9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.009 -3.262 10.729 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.703 -3.111 11.155 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.695 -0.510 13.091 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.606 -2.268 12.940 1.00 0.00 H new ATOM 1231 N VAL A 78 3.541 -3.285 7.462 1.00 0.00 N ATOM 1232 CA VAL A 78 4.248 -4.432 6.805 1.00 0.00 C ATOM 1233 C VAL A 78 5.638 -4.579 7.431 1.00 0.00 C ATOM 1234 O VAL A 78 6.634 -4.683 6.742 1.00 0.00 O ATOM 1235 CB VAL A 78 4.405 -4.184 5.295 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.168 -2.879 5.062 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.195 -5.341 4.678 1.00 0.00 C ATOM 0 H VAL A 78 3.609 -2.394 6.971 1.00 0.00 H new ATOM 0 HA VAL A 78 3.661 -5.338 6.952 1.00 0.00 H new ATOM 0 HB VAL A 78 3.419 -4.115 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.277 -2.707 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.617 -2.051 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.154 -2.947 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.311 -5.173 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.178 -5.400 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.659 -6.276 4.842 1.00 0.00 H new ATOM 1247 N ILE A 79 5.711 -4.578 8.734 1.00 0.00 N ATOM 1248 CA ILE A 79 7.028 -4.707 9.419 1.00 0.00 C ATOM 1249 C ILE A 79 6.987 -5.898 10.377 1.00 0.00 C ATOM 1250 O ILE A 79 6.055 -6.677 10.359 1.00 0.00 O ATOM 1251 CB ILE A 79 7.295 -3.431 10.215 1.00 0.00 C ATOM 1252 CG1 ILE A 79 5.989 -2.973 10.863 1.00 0.00 C ATOM 1253 CG2 ILE A 79 7.813 -2.338 9.278 1.00 0.00 C ATOM 1254 CD1 ILE A 79 6.298 -2.198 12.145 1.00 0.00 C ATOM 0 H ILE A 79 4.908 -4.493 9.358 1.00 0.00 H new ATOM 0 HA ILE A 79 7.816 -4.860 8.682 1.00 0.00 H new ATOM 0 HB ILE A 79 8.043 -3.625 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.429 -2.344 10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.361 -3.835 11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.002 -1.429 9.849 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.738 -2.671 8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.068 -2.135 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.366 -1.872 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.840 -2.842 12.838 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.909 -1.327 11.906 1.00 0.00 H new ATOM 1266 N PRO A 80 8.002 -5.993 11.193 1.00 0.00 N ATOM 1267 CA PRO A 80 8.040 -7.110 12.161 1.00 0.00 C ATOM 1268 C PRO A 80 7.851 -6.584 13.587 1.00 0.00 C ATOM 1269 O PRO A 80 8.490 -7.036 14.515 1.00 0.00 O ATOM 1270 CB PRO A 80 9.430 -7.721 11.987 1.00 0.00 C ATOM 1271 CG PRO A 80 10.312 -6.620 11.370 1.00 0.00 C ATOM 1272 CD PRO A 80 9.355 -5.601 10.730 1.00 0.00 C ATOM 0 HA PRO A 80 7.247 -7.839 11.992 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.833 -8.050 12.945 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.391 -8.597 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.930 -6.146 12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.989 -7.038 10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.598 -4.585 11.040 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.422 -5.627 9.642 1.00 0.00 H new ATOM 1280 N GLU A 81 6.971 -5.636 13.765 1.00 0.00 N ATOM 1281 CA GLU A 81 6.732 -5.082 15.130 1.00 0.00 C ATOM 1282 C GLU A 81 7.865 -4.127 15.512 1.00 0.00 C ATOM 1283 O GLU A 81 8.940 -4.163 14.946 1.00 0.00 O ATOM 1284 CB GLU A 81 6.670 -6.227 16.142 1.00 0.00 C ATOM 1285 CG GLU A 81 5.511 -5.987 17.111 1.00 0.00 C ATOM 1286 CD GLU A 81 4.300 -6.816 16.676 1.00 0.00 C ATOM 1287 OE1 GLU A 81 4.112 -6.971 15.481 1.00 0.00 O ATOM 1288 OE2 GLU A 81 3.582 -7.283 17.546 1.00 0.00 O ATOM 0 H GLU A 81 6.407 -5.221 13.024 1.00 0.00 H new ATOM 0 HA GLU A 81 5.788 -4.538 15.134 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.535 -7.177 15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.609 -6.293 16.691 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.807 -6.261 18.124 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.252 -4.928 17.130 1.00 0.00 H new ATOM 1295 N GLY A 82 7.631 -3.276 16.473 1.00 0.00 N ATOM 1296 CA GLY A 82 8.691 -2.320 16.901 1.00 0.00 C ATOM 1297 C GLY A 82 8.624 -1.055 16.043 1.00 0.00 C ATOM 1298 O GLY A 82 8.592 0.050 16.550 1.00 0.00 O ATOM 0 H GLY A 82 6.750 -3.201 16.981 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.560 -2.065 17.953 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.673 -2.784 16.805 1.00 0.00 H new ATOM 1302 N GLY A 83 8.603 -1.205 14.747 1.00 0.00 N ATOM 1303 CA GLY A 83 8.538 -0.008 13.859 1.00 0.00 C ATOM 1304 C GLY A 83 9.116 -0.348 12.484 1.00 0.00 C ATOM 1305 O GLY A 83 8.446 -0.899 11.635 1.00 0.00 O ATOM 0 H GLY A 83 8.628 -2.103 14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.505 0.324 13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.095 0.816 14.304 1.00 0.00 H new ATOM 1309 N SER A 84 10.355 -0.007 12.254 1.00 0.00 N ATOM 1310 CA SER A 84 10.979 -0.292 10.930 1.00 0.00 C ATOM 1311 C SER A 84 10.232 0.480 9.838 1.00 0.00 C ATOM 1312 O SER A 84 10.447 0.270 8.660 1.00 0.00 O ATOM 1313 CB SER A 84 10.915 -1.793 10.636 1.00 0.00 C ATOM 1314 OG SER A 84 11.931 -2.459 11.374 1.00 0.00 O ATOM 0 H SER A 84 10.964 0.458 12.928 1.00 0.00 H new ATOM 0 HA SER A 84 12.023 0.022 10.949 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.935 -2.187 10.906 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.047 -1.972 9.569 1.00 0.00 H new ATOM 0 HG SER A 84 11.892 -3.421 11.190 1.00 0.00 H new ATOM 1320 N GLN A 85 9.364 1.379 10.222 1.00 0.00 N ATOM 1321 CA GLN A 85 8.607 2.175 9.216 1.00 0.00 C ATOM 1322 C GLN A 85 7.912 1.243 8.217 1.00 0.00 C ATOM 1323 O GLN A 85 8.549 0.647 7.372 1.00 0.00 O ATOM 1324 CB GLN A 85 9.576 3.097 8.477 1.00 0.00 C ATOM 1325 CG GLN A 85 10.390 3.892 9.500 1.00 0.00 C ATOM 1326 CD GLN A 85 10.592 5.322 8.997 1.00 0.00 C ATOM 1327 OE1 GLN A 85 10.119 6.264 9.601 1.00 0.00 O ATOM 1328 NE2 GLN A 85 11.279 5.526 7.907 1.00 0.00 N ATOM 0 H GLN A 85 9.147 1.596 11.195 1.00 0.00 H new ATOM 0 HA GLN A 85 7.847 2.770 9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.240 2.512 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.026 3.776 7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.874 3.903 10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.356 3.413 9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.677 4.736 7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.419 6.476 7.562 1.00 0.00 H new ATOM 1337 N PRO A 86 6.615 1.161 8.345 1.00 0.00 N ATOM 1338 CA PRO A 86 5.849 0.298 7.420 1.00 0.00 C ATOM 1339 C PRO A 86 4.915 1.169 6.578 1.00 0.00 C ATOM 1340 O PRO A 86 4.678 2.317 6.902 1.00 0.00 O ATOM 1341 CB PRO A 86 5.043 -0.623 8.334 1.00 0.00 C ATOM 1342 CG PRO A 86 4.924 0.111 9.684 1.00 0.00 C ATOM 1343 CD PRO A 86 6.053 1.153 9.718 1.00 0.00 C ATOM 0 HA PRO A 86 6.482 -0.263 6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.058 -0.826 7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.542 -1.585 8.456 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.950 0.591 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.017 -0.588 10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.673 2.137 9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.813 0.887 10.453 1.00 0.00 H new ATOM 1351 N LEU A 87 4.375 0.654 5.509 1.00 0.00 N ATOM 1352 CA LEU A 87 3.462 1.505 4.693 1.00 0.00 C ATOM 1353 C LEU A 87 2.152 1.702 5.442 1.00 0.00 C ATOM 1354 O LEU A 87 1.344 0.802 5.530 1.00 0.00 O ATOM 1355 CB LEU A 87 3.136 0.886 3.316 1.00 0.00 C ATOM 1356 CG LEU A 87 3.413 -0.615 3.290 1.00 0.00 C ATOM 1357 CD1 LEU A 87 2.507 -1.315 4.302 1.00 0.00 C ATOM 1358 CD2 LEU A 87 3.106 -1.147 1.888 1.00 0.00 C ATOM 0 H LEU A 87 4.520 -0.297 5.170 1.00 0.00 H new ATOM 0 HA LEU A 87 3.978 2.451 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.088 1.067 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.730 1.379 2.546 1.00 0.00 H new ATOM 0 HG LEU A 87 4.456 -0.805 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.703 -2.387 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.707 -0.925 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.464 -1.133 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.300 -2.219 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.059 -0.960 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.740 -0.641 1.160 1.00 0.00 H new ATOM 1370 N SER A 88 1.904 2.881 5.936 1.00 0.00 N ATOM 1371 CA SER A 88 0.610 3.118 6.618 1.00 0.00 C ATOM 1372 C SER A 88 -0.394 3.253 5.488 1.00 0.00 C ATOM 1373 O SER A 88 -0.260 4.111 4.639 1.00 0.00 O ATOM 1374 CB SER A 88 0.664 4.408 7.440 1.00 0.00 C ATOM 1375 OG SER A 88 -0.645 4.954 7.541 1.00 0.00 O ATOM 0 H SER A 88 2.535 3.681 5.897 1.00 0.00 H new ATOM 0 HA SER A 88 0.354 2.317 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.063 4.204 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.335 5.126 6.968 1.00 0.00 H new ATOM 0 HG SER A 88 -0.615 5.780 8.068 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.337 2.359 5.417 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.291 2.370 4.271 1.00 0.00 C ATOM 1383 C VAL A 89 -3.395 3.420 4.417 1.00 0.00 C ATOM 1384 O VAL A 89 -3.524 4.097 5.417 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.932 0.992 4.136 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -3.232 0.728 2.666 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -1.972 -0.088 4.646 1.00 0.00 C ATOM 0 H VAL A 89 -1.491 1.619 6.102 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.716 2.627 3.382 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.850 0.965 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.691 -0.255 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.916 1.490 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.305 0.760 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.440 -1.067 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.052 -0.063 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.740 0.097 5.695 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.182 3.540 3.379 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.303 4.518 3.340 1.00 0.00 C ATOM 1399 C ARG A 90 -5.727 4.671 1.875 1.00 0.00 C ATOM 1400 O ARG A 90 -5.122 5.408 1.118 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.835 5.870 3.888 1.00 0.00 C ATOM 1402 CG ARG A 90 -3.440 6.183 3.346 1.00 0.00 C ATOM 1403 CD ARG A 90 -3.240 7.699 3.277 1.00 0.00 C ATOM 1404 NE ARG A 90 -3.693 8.321 4.552 1.00 0.00 N ATOM 1405 CZ ARG A 90 -3.001 9.289 5.088 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -1.826 9.046 5.600 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -3.484 10.502 5.110 1.00 0.00 N ATOM 0 H ARG A 90 -4.088 2.981 2.531 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.137 4.171 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.534 6.654 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.817 5.847 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.681 5.736 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.318 5.745 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.189 7.930 3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.802 8.112 2.439 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.544 7.990 5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.448 8.099 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.286 9.803 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.402 10.693 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.943 11.259 5.529 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.740 3.958 1.454 1.00 0.00 N ATOM 1422 CA LEU A 91 -7.165 4.057 0.028 1.00 0.00 C ATOM 1423 C LEU A 91 -7.361 5.527 -0.343 1.00 0.00 C ATOM 1424 O LEU A 91 -8.397 6.112 -0.097 1.00 0.00 O ATOM 1425 CB LEU A 91 -8.466 3.278 -0.192 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.210 2.157 -1.207 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -8.812 0.843 -0.700 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -8.854 2.520 -2.547 1.00 0.00 C ATOM 0 H LEU A 91 -7.286 3.318 2.031 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.392 3.625 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.818 2.859 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.247 3.945 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.134 2.036 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.625 0.053 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.353 0.576 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.887 0.964 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.671 1.722 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.928 2.647 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.422 3.450 -2.918 1.00 0.00 H new ATOM 1440 N ALA A 92 -6.360 6.128 -0.930 1.00 0.00 N ATOM 1441 CA ALA A 92 -6.462 7.562 -1.318 1.00 0.00 C ATOM 1442 C ALA A 92 -7.697 7.781 -2.194 1.00 0.00 C ATOM 1443 O ALA A 92 -8.226 6.860 -2.785 1.00 0.00 O ATOM 1444 CB ALA A 92 -5.207 7.962 -2.099 1.00 0.00 C ATOM 0 H ALA A 92 -5.471 5.683 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.550 8.173 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.276 9.011 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.327 7.814 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.124 7.346 -2.994 1.00 0.00 H new ATOM 1450 N GLU A 93 -8.159 9.000 -2.282 1.00 0.00 N ATOM 1451 CA GLU A 93 -9.357 9.289 -3.119 1.00 0.00 C ATOM 1452 C GLU A 93 -9.153 10.620 -3.847 1.00 0.00 C ATOM 1453 O GLU A 93 -9.996 11.494 -3.813 1.00 0.00 O ATOM 1454 CB GLU A 93 -10.596 9.379 -2.224 1.00 0.00 C ATOM 1455 CG GLU A 93 -10.318 10.327 -1.056 1.00 0.00 C ATOM 1456 CD GLU A 93 -11.115 9.875 0.169 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -10.887 8.766 0.623 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -11.940 10.646 0.631 1.00 0.00 O ATOM 0 H GLU A 93 -7.757 9.809 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.496 8.491 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.449 9.737 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.858 8.390 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.252 10.336 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.594 11.346 -1.327 1.00 0.00 H new ATOM 1465 N GLU A 94 -8.035 10.778 -4.505 1.00 0.00 N ATOM 1466 CA GLU A 94 -7.770 12.051 -5.236 1.00 0.00 C ATOM 1467 C GLU A 94 -6.825 11.779 -6.406 1.00 0.00 C ATOM 1468 O GLU A 94 -7.205 11.855 -7.558 1.00 0.00 O ATOM 1469 CB GLU A 94 -7.124 13.063 -4.285 1.00 0.00 C ATOM 1470 CG GLU A 94 -6.823 14.358 -5.043 1.00 0.00 C ATOM 1471 CD GLU A 94 -8.110 15.171 -5.194 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -8.968 14.752 -5.954 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -8.217 16.200 -4.546 1.00 0.00 O ATOM 0 H GLU A 94 -7.294 10.080 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.710 12.455 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.790 13.267 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.205 12.651 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.073 14.940 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.407 14.129 -6.024 1.00 0.00 H new ATOM 1480 N HIS A 95 -5.594 11.463 -6.119 1.00 0.00 N ATOM 1481 CA HIS A 95 -4.619 11.186 -7.211 1.00 0.00 C ATOM 1482 C HIS A 95 -4.093 9.755 -7.077 1.00 0.00 C ATOM 1483 O HIS A 95 -3.011 9.527 -6.576 1.00 0.00 O ATOM 1484 CB HIS A 95 -3.450 12.168 -7.116 1.00 0.00 C ATOM 1485 CG HIS A 95 -2.849 12.100 -5.740 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -1.587 11.576 -5.509 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -3.324 12.486 -4.511 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -1.348 11.660 -4.187 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -2.375 12.207 -3.532 1.00 0.00 N ATOM 0 H HIS A 95 -5.220 11.384 -5.174 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.114 11.303 -8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.697 11.927 -7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.794 13.181 -7.324 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.288 12.938 -4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.437 11.326 -3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.448 12.383 -2.530 1.00 0.00 H new ATOM 1497 N GLY A 96 -4.849 8.790 -7.524 1.00 0.00 N ATOM 1498 CA GLY A 96 -4.385 7.377 -7.424 1.00 0.00 C ATOM 1499 C GLY A 96 -3.388 7.091 -8.548 1.00 0.00 C ATOM 1500 O GLY A 96 -2.688 7.972 -9.005 1.00 0.00 O ATOM 0 H GLY A 96 -5.765 8.918 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.917 7.204 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.234 6.698 -7.494 1.00 0.00 H new ATOM 1504 N LYS A 97 -3.316 5.868 -8.998 1.00 0.00 N ATOM 1505 CA LYS A 97 -2.361 5.533 -10.092 1.00 0.00 C ATOM 1506 C LYS A 97 -3.122 5.410 -11.415 1.00 0.00 C ATOM 1507 O LYS A 97 -4.342 5.399 -11.375 1.00 0.00 O ATOM 1508 CB LYS A 97 -1.668 4.206 -9.776 1.00 0.00 C ATOM 1509 CG LYS A 97 -0.502 3.997 -10.743 1.00 0.00 C ATOM 1510 CD LYS A 97 -0.943 3.080 -11.886 1.00 0.00 C ATOM 1511 CE LYS A 97 -0.585 3.727 -13.224 1.00 0.00 C ATOM 1512 NZ LYS A 97 0.725 3.195 -13.699 1.00 0.00 N ATOM 1513 OXT LYS A 97 -2.473 5.330 -12.444 1.00 0.00 O ATOM 0 H LYS A 97 -3.876 5.087 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.614 6.322 -10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.306 4.208 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.378 3.383 -9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.169 4.956 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.346 3.558 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.455 2.109 -11.797 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.017 2.903 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.362 3.520 -13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.531 4.810 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.969 3.635 -14.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.463 3.414 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.658 2.164 -13.820 1.00 0.00 H new TER 1527 LYS A 97