USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 865 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 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 82 THR OG1 : rot 87:sc= 0.868 USER MOD Set 2.2: A 87 TYR OH : rot 30:sc= 0.111 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -0.261 F(o=-2.5,f=-0.26) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 160:sc= 0.451 (180deg=-0.0119) USER MOD Set 4.2: A 37 SER OG : rot 170:sc= -0.747 USER MOD Set 5.1: A 23 HIS :FLIP no HD1:sc= -1.29 F(o=-2.4!,f=-1.3) USER MOD Set 5.2: A 25 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0684 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 15:sc= 0.496 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 53:sc= 0.119 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 18:sc= 0.391 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 39 GLN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -1.5! (180deg=-2.73!) USER MOD Single : A 45 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.054) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 54 SER OG : rot 180:sc= -0.249 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.56! C(o=-1.6!,f=-6.6!) USER MOD Single : A 61 THR OG1 : rot -36:sc= 0.128 USER MOD Single : A 62 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.9!) USER MOD Single : A 63 THR OG1 : rot -60:sc= 0.806 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.653! F(o=-1.4,f=-0.65!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 78:sc= 0.169 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 94 MET CE :methyl -159:sc= 0 (180deg=-1.06) USER MOD Single : A 95 THR OG1 : rot 43:sc= -0.698 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -3.71! K(o=-3.7!,f=-4.8) USER MOD Single : A 101 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 136:sc= -6.3! USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 109 SER OG : rot -154:sc= 0.575 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.114 -14.149 5.896 1.00 0.00 N ATOM 2 CA GLY A 1 0.501 -14.856 4.687 1.00 0.00 C ATOM 3 C GLY A 1 -0.113 -14.199 3.449 1.00 0.00 C ATOM 4 O GLY A 1 -1.150 -13.544 3.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.086 -14.836 6.651 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.888 -13.522 6.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.738 -13.582 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.587 -14.864 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.178 -15.895 4.750 1.00 0.00 H new ATOM 8 N SER A 2 0.554 -14.399 2.321 1.00 0.00 N ATOM 9 CA SER A 2 0.087 -13.835 1.066 1.00 0.00 C ATOM 10 C SER A 2 0.740 -14.564 -0.110 1.00 0.00 C ATOM 11 O SER A 2 1.875 -15.025 -0.006 1.00 0.00 O ATOM 12 CB SER A 2 0.383 -12.336 0.992 1.00 0.00 C ATOM 13 OG SER A 2 0.233 -11.826 -0.331 1.00 0.00 O ATOM 0 H SER A 2 1.414 -14.944 2.250 1.00 0.00 H new ATOM 0 HA SER A 2 -0.994 -13.967 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.287 -11.801 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.399 -12.150 1.339 1.00 0.00 H new ATOM 0 HG SER A 2 0.429 -10.866 -0.336 1.00 0.00 H new ATOM 19 N SER A 3 -0.006 -14.644 -1.203 1.00 0.00 N ATOM 20 CA SER A 3 0.486 -15.309 -2.397 1.00 0.00 C ATOM 21 C SER A 3 -0.228 -14.760 -3.634 1.00 0.00 C ATOM 22 O SER A 3 -1.450 -14.622 -3.639 1.00 0.00 O ATOM 23 CB SER A 3 0.295 -16.824 -2.303 1.00 0.00 C ATOM 24 OG SER A 3 1.271 -17.434 -1.462 1.00 0.00 O ATOM 0 H SER A 3 -0.947 -14.259 -1.286 1.00 0.00 H new ATOM 0 HA SER A 3 1.554 -15.110 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.702 -17.041 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.353 -17.259 -3.301 1.00 0.00 H new ATOM 0 HG SER A 3 1.717 -16.746 -0.925 1.00 0.00 H new ATOM 30 N GLY A 4 0.565 -14.462 -4.652 1.00 0.00 N ATOM 31 CA GLY A 4 0.024 -13.930 -5.892 1.00 0.00 C ATOM 32 C GLY A 4 -0.281 -15.055 -6.883 1.00 0.00 C ATOM 33 O GLY A 4 -0.357 -16.222 -6.500 1.00 0.00 O ATOM 0 H GLY A 4 1.578 -14.579 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.886 -13.367 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.736 -13.233 -6.335 1.00 0.00 H new ATOM 37 N SER A 5 -0.448 -14.665 -8.138 1.00 0.00 N ATOM 38 CA SER A 5 -0.744 -15.626 -9.187 1.00 0.00 C ATOM 39 C SER A 5 -0.258 -15.093 -10.537 1.00 0.00 C ATOM 40 O SER A 5 -0.520 -13.942 -10.884 1.00 0.00 O ATOM 41 CB SER A 5 -2.241 -15.935 -9.246 1.00 0.00 C ATOM 42 OG SER A 5 -2.511 -17.315 -9.019 1.00 0.00 O ATOM 0 H SER A 5 -0.384 -13.697 -8.452 1.00 0.00 H new ATOM 0 HA SER A 5 -0.219 -16.553 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.764 -15.336 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.633 -15.645 -10.221 1.00 0.00 H new ATOM 0 HG SER A 5 -3.478 -17.471 -9.063 1.00 0.00 H new ATOM 48 N SER A 6 0.441 -15.955 -11.261 1.00 0.00 N ATOM 49 CA SER A 6 0.965 -15.585 -12.564 1.00 0.00 C ATOM 50 C SER A 6 0.190 -16.311 -13.665 1.00 0.00 C ATOM 51 O SER A 6 -0.284 -17.428 -13.463 1.00 0.00 O ATOM 52 CB SER A 6 2.458 -15.904 -12.668 1.00 0.00 C ATOM 53 OG SER A 6 3.135 -15.010 -13.547 1.00 0.00 O ATOM 0 H SER A 6 0.656 -16.908 -10.970 1.00 0.00 H new ATOM 0 HA SER A 6 0.841 -14.509 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.910 -15.850 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.586 -16.927 -13.022 1.00 0.00 H new ATOM 0 HG SER A 6 4.085 -15.246 -13.585 1.00 0.00 H new ATOM 59 N GLY A 7 0.085 -15.647 -14.807 1.00 0.00 N ATOM 60 CA GLY A 7 -0.625 -16.215 -15.941 1.00 0.00 C ATOM 61 C GLY A 7 0.350 -16.840 -16.941 1.00 0.00 C ATOM 62 O GLY A 7 1.556 -16.872 -16.701 1.00 0.00 O ATOM 0 H GLY A 7 0.480 -14.721 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.329 -16.971 -15.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.210 -15.439 -16.434 1.00 0.00 H new ATOM 66 N PRO A 8 -0.224 -17.336 -18.070 1.00 0.00 N ATOM 67 CA PRO A 8 0.581 -17.958 -19.107 1.00 0.00 C ATOM 68 C PRO A 8 1.343 -16.906 -19.915 1.00 0.00 C ATOM 69 O PRO A 8 1.039 -16.675 -21.084 1.00 0.00 O ATOM 70 CB PRO A 8 -0.407 -18.752 -19.948 1.00 0.00 C ATOM 71 CG PRO A 8 -1.778 -18.176 -19.635 1.00 0.00 C ATOM 72 CD PRO A 8 -1.649 -17.316 -18.388 1.00 0.00 C ATOM 0 HA PRO A 8 1.356 -18.610 -18.704 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.178 -18.660 -21.010 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.364 -19.813 -19.703 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.142 -17.581 -20.473 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.500 -18.976 -19.474 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.000 -16.300 -18.569 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.244 -17.717 -17.567 1.00 0.00 H new ATOM 80 N GLN A 9 2.320 -16.297 -19.259 1.00 0.00 N ATOM 81 CA GLN A 9 3.129 -15.275 -19.902 1.00 0.00 C ATOM 82 C GLN A 9 4.493 -15.169 -19.217 1.00 0.00 C ATOM 83 O GLN A 9 4.571 -15.053 -17.995 1.00 0.00 O ATOM 84 CB GLN A 9 2.409 -13.925 -19.901 1.00 0.00 C ATOM 85 CG GLN A 9 2.240 -13.394 -21.326 1.00 0.00 C ATOM 86 CD GLN A 9 2.624 -11.915 -21.408 1.00 0.00 C ATOM 87 OE1 GLN A 9 3.673 -11.547 -21.910 1.00 0.00 O ATOM 88 NE2 GLN A 9 1.718 -11.091 -20.889 1.00 0.00 N ATOM 0 H GLN A 9 2.570 -16.491 -18.289 1.00 0.00 H new ATOM 0 HA GLN A 9 3.287 -15.565 -20.941 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.432 -14.030 -19.430 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.974 -13.208 -19.306 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.860 -13.973 -22.010 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.206 -13.524 -21.646 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.860 -11.466 -20.484 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.881 -10.084 -20.896 1.00 0.00 H new ATOM 97 N LEU A 10 5.535 -15.214 -20.034 1.00 0.00 N ATOM 98 CA LEU A 10 6.892 -15.124 -19.522 1.00 0.00 C ATOM 99 C LEU A 10 7.620 -13.972 -20.217 1.00 0.00 C ATOM 100 O LEU A 10 7.446 -13.757 -21.416 1.00 0.00 O ATOM 101 CB LEU A 10 7.605 -16.472 -19.655 1.00 0.00 C ATOM 102 CG LEU A 10 8.533 -16.856 -18.501 1.00 0.00 C ATOM 103 CD1 LEU A 10 7.820 -17.776 -17.507 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.831 -17.474 -19.024 1.00 0.00 C ATOM 0 H LEU A 10 5.467 -15.312 -21.047 1.00 0.00 H new ATOM 0 HA LEU A 10 6.883 -14.898 -18.456 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.850 -17.251 -19.763 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.188 -16.463 -20.576 1.00 0.00 H new ATOM 0 HG LEU A 10 8.803 -15.947 -17.963 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.502 -18.034 -16.697 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.948 -17.265 -17.099 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.502 -18.685 -18.017 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.473 -17.738 -18.183 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.601 -18.370 -19.600 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.345 -16.755 -19.661 1.00 0.00 H new ATOM 116 N VAL A 11 8.419 -13.262 -19.435 1.00 0.00 N ATOM 117 CA VAL A 11 9.174 -12.137 -19.961 1.00 0.00 C ATOM 118 C VAL A 11 10.278 -11.762 -18.970 1.00 0.00 C ATOM 119 O VAL A 11 10.193 -12.087 -17.787 1.00 0.00 O ATOM 120 CB VAL A 11 8.231 -10.974 -20.273 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.809 -10.250 -18.993 1.00 0.00 C ATOM 122 CG2 VAL A 11 8.869 -10.002 -21.268 1.00 0.00 C ATOM 0 H VAL A 11 8.560 -13.443 -18.441 1.00 0.00 H new ATOM 0 HA VAL A 11 9.657 -12.407 -20.900 1.00 0.00 H new ATOM 0 HB VAL A 11 7.334 -11.386 -20.735 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.139 -9.428 -19.244 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.295 -10.948 -18.333 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.692 -9.857 -18.489 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.177 -9.185 -21.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.790 -9.601 -20.845 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.094 -10.527 -22.196 1.00 0.00 H new ATOM 132 N ARG A 12 11.290 -11.082 -19.490 1.00 0.00 N ATOM 133 CA ARG A 12 12.409 -10.658 -18.666 1.00 0.00 C ATOM 134 C ARG A 12 13.119 -9.465 -19.308 1.00 0.00 C ATOM 135 O ARG A 12 13.096 -9.307 -20.527 1.00 0.00 O ATOM 136 CB ARG A 12 13.413 -11.797 -18.474 1.00 0.00 C ATOM 137 CG ARG A 12 14.134 -12.119 -19.784 1.00 0.00 C ATOM 138 CD ARG A 12 15.652 -12.079 -19.598 1.00 0.00 C ATOM 139 NE ARG A 12 16.219 -13.436 -19.763 1.00 0.00 N ATOM 140 CZ ARG A 12 16.256 -14.098 -20.927 1.00 0.00 C ATOM 141 NH1 ARG A 12 15.760 -13.532 -22.036 1.00 0.00 N ATOM 142 NH2 ARG A 12 16.789 -15.326 -20.983 1.00 0.00 N ATOM 0 H ARG A 12 11.358 -10.814 -20.472 1.00 0.00 H new ATOM 0 HA ARG A 12 12.013 -10.369 -17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.142 -11.520 -17.712 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.896 -12.685 -18.112 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.833 -13.106 -20.136 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.839 -11.403 -20.551 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.098 -11.399 -20.324 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.895 -11.692 -18.608 1.00 0.00 H new ATOM 0 HE ARG A 12 16.606 -13.896 -18.939 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.354 -12.597 -21.994 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.788 -14.036 -22.922 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.167 -15.757 -20.139 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.817 -15.830 -21.869 1.00 0.00 H new ATOM 156 N THR A 13 13.733 -8.655 -18.457 1.00 0.00 N ATOM 157 CA THR A 13 14.449 -7.481 -18.926 1.00 0.00 C ATOM 158 C THR A 13 15.339 -6.920 -17.816 1.00 0.00 C ATOM 159 O THR A 13 15.468 -7.526 -16.753 1.00 0.00 O ATOM 160 CB THR A 13 13.418 -6.475 -19.444 1.00 0.00 C ATOM 161 OG1 THR A 13 14.205 -5.385 -19.918 1.00 0.00 O ATOM 162 CG2 THR A 13 12.577 -5.867 -18.321 1.00 0.00 C ATOM 0 H THR A 13 13.749 -8.789 -17.446 1.00 0.00 H new ATOM 0 HA THR A 13 15.123 -7.730 -19.745 1.00 0.00 H new ATOM 0 HB THR A 13 12.762 -6.966 -20.163 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.880 -5.718 -20.546 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.862 -5.161 -18.743 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.040 -6.659 -17.799 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.229 -5.347 -17.619 1.00 0.00 H new ATOM 170 N HIS A 14 15.931 -5.769 -18.100 1.00 0.00 N ATOM 171 CA HIS A 14 16.806 -5.120 -17.138 1.00 0.00 C ATOM 172 C HIS A 14 16.165 -3.816 -16.660 1.00 0.00 C ATOM 173 O HIS A 14 15.724 -3.003 -17.471 1.00 0.00 O ATOM 174 CB HIS A 14 18.203 -4.914 -17.727 1.00 0.00 C ATOM 175 CG HIS A 14 19.210 -5.955 -17.300 1.00 0.00 C ATOM 176 ND1 HIS A 14 19.583 -7.014 -18.111 1.00 0.00 N ATOM 177 CD2 HIS A 14 19.917 -6.089 -16.142 1.00 0.00 C ATOM 178 CE1 HIS A 14 20.474 -7.745 -17.458 1.00 0.00 C ATOM 179 NE2 HIS A 14 20.679 -7.171 -16.238 1.00 0.00 N ATOM 0 H HIS A 14 15.822 -5.269 -18.982 1.00 0.00 H new ATOM 0 HA HIS A 14 16.934 -5.762 -16.266 1.00 0.00 H new ATOM 0 HB2 HIS A 14 18.131 -4.917 -18.815 1.00 0.00 H new ATOM 0 HB3 HIS A 14 18.568 -3.929 -17.435 1.00 0.00 H new ATOM 0 HD2 HIS A 14 19.866 -5.427 -15.291 1.00 0.00 H new ATOM 0 HE1 HIS A 14 20.954 -8.639 -17.827 1.00 0.00 H new ATOM 0 HE2 HIS A 14 21.314 -7.517 -15.518 1.00 0.00 H new ATOM 187 N GLU A 15 16.135 -3.656 -15.345 1.00 0.00 N ATOM 188 CA GLU A 15 15.556 -2.464 -14.750 1.00 0.00 C ATOM 189 C GLU A 15 16.524 -1.854 -13.733 1.00 0.00 C ATOM 190 O GLU A 15 17.449 -2.522 -13.275 1.00 0.00 O ATOM 191 CB GLU A 15 14.205 -2.775 -14.102 1.00 0.00 C ATOM 192 CG GLU A 15 13.215 -3.319 -15.134 1.00 0.00 C ATOM 193 CD GLU A 15 13.065 -4.836 -15.005 1.00 0.00 C ATOM 194 OE1 GLU A 15 14.113 -5.497 -14.839 1.00 0.00 O ATOM 195 OE2 GLU A 15 11.907 -5.300 -15.074 1.00 0.00 O ATOM 0 H GLU A 15 16.502 -4.332 -14.675 1.00 0.00 H new ATOM 0 HA GLU A 15 15.383 -1.734 -15.541 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.340 -3.504 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.800 -1.872 -13.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.245 -2.841 -14.999 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.557 -3.068 -16.138 1.00 0.00 H new ATOM 202 N ASP A 16 16.276 -0.593 -13.411 1.00 0.00 N ATOM 203 CA ASP A 16 17.114 0.113 -12.457 1.00 0.00 C ATOM 204 C ASP A 16 16.392 0.193 -11.111 1.00 0.00 C ATOM 205 O ASP A 16 16.917 -0.256 -10.093 1.00 0.00 O ATOM 206 CB ASP A 16 17.398 1.542 -12.926 1.00 0.00 C ATOM 207 CG ASP A 16 18.551 2.242 -12.204 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.838 1.830 -11.059 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.120 3.174 -12.814 1.00 0.00 O ATOM 0 H ASP A 16 15.507 -0.042 -13.793 1.00 0.00 H new ATOM 0 HA ASP A 16 18.054 -0.431 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.617 1.521 -13.994 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.494 2.137 -12.797 1.00 0.00 H new ATOM 214 N VAL A 17 15.198 0.767 -11.149 1.00 0.00 N ATOM 215 CA VAL A 17 14.398 0.911 -9.944 1.00 0.00 C ATOM 216 C VAL A 17 14.451 -0.391 -9.143 1.00 0.00 C ATOM 217 O VAL A 17 14.877 -1.424 -9.658 1.00 0.00 O ATOM 218 CB VAL A 17 12.973 1.331 -10.310 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.872 2.849 -10.467 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.499 0.615 -11.576 1.00 0.00 C ATOM 0 H VAL A 17 14.765 1.138 -11.995 1.00 0.00 H new ATOM 0 HA VAL A 17 14.802 1.699 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 17 12.316 1.035 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.849 3.121 -10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.148 3.331 -9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.547 3.179 -11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.483 0.931 -11.814 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.161 0.865 -12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.514 -0.462 -11.412 1.00 0.00 H new ATOM 230 N PRO A 18 14.002 -0.298 -7.863 1.00 0.00 N ATOM 231 CA PRO A 18 13.994 -1.456 -6.986 1.00 0.00 C ATOM 232 C PRO A 18 12.858 -2.413 -7.352 1.00 0.00 C ATOM 233 O PRO A 18 12.076 -2.136 -8.261 1.00 0.00 O ATOM 234 CB PRO A 18 13.862 -0.886 -5.583 1.00 0.00 C ATOM 235 CG PRO A 18 13.336 0.529 -5.756 1.00 0.00 C ATOM 236 CD PRO A 18 13.491 0.909 -7.220 1.00 0.00 C ATOM 0 HA PRO A 18 14.899 -2.057 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.180 -1.485 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.824 -0.885 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.290 0.587 -5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.889 1.222 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.539 1.216 -7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.180 1.745 -7.342 1.00 0.00 H new ATOM 244 N GLY A 19 12.802 -3.519 -6.625 1.00 0.00 N ATOM 245 CA GLY A 19 11.774 -4.519 -6.862 1.00 0.00 C ATOM 246 C GLY A 19 10.606 -4.345 -5.889 1.00 0.00 C ATOM 247 O GLY A 19 10.334 -3.235 -5.432 1.00 0.00 O ATOM 0 H GLY A 19 13.451 -3.745 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.413 -4.439 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.199 -5.516 -6.751 1.00 0.00 H new ATOM 251 N PRO A 20 9.928 -5.486 -5.594 1.00 0.00 N ATOM 252 CA PRO A 20 8.795 -5.471 -4.685 1.00 0.00 C ATOM 253 C PRO A 20 9.259 -5.330 -3.234 1.00 0.00 C ATOM 254 O PRO A 20 10.127 -6.074 -2.781 1.00 0.00 O ATOM 255 CB PRO A 20 8.060 -6.774 -4.950 1.00 0.00 C ATOM 256 CG PRO A 20 9.056 -7.678 -5.658 1.00 0.00 C ATOM 257 CD PRO A 20 10.222 -6.818 -6.117 1.00 0.00 C ATOM 0 HA PRO A 20 8.136 -4.618 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.717 -7.225 -4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.178 -6.606 -5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.402 -8.464 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.586 -8.170 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.169 -7.195 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.303 -6.808 -7.204 1.00 0.00 H new ATOM 265 N VAL A 21 8.659 -4.370 -2.545 1.00 0.00 N ATOM 266 CA VAL A 21 9.000 -4.122 -1.154 1.00 0.00 C ATOM 267 C VAL A 21 8.850 -5.419 -0.358 1.00 0.00 C ATOM 268 O VAL A 21 8.634 -6.484 -0.934 1.00 0.00 O ATOM 269 CB VAL A 21 8.145 -2.979 -0.602 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.542 -1.643 -1.232 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.655 -3.261 -0.806 1.00 0.00 C ATOM 0 H VAL A 21 7.939 -3.755 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 21 10.039 -3.805 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 21 8.329 -2.911 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.919 -0.848 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.589 -1.434 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.402 -1.694 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.070 -2.433 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.448 -3.370 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.385 -4.181 -0.288 1.00 0.00 H new ATOM 281 N GLY A 22 8.972 -5.288 0.955 1.00 0.00 N ATOM 282 CA GLY A 22 8.853 -6.437 1.836 1.00 0.00 C ATOM 283 C GLY A 22 7.500 -7.128 1.657 1.00 0.00 C ATOM 284 O GLY A 22 6.862 -6.991 0.614 1.00 0.00 O ATOM 0 H GLY A 22 9.152 -4.403 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.656 -7.144 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.968 -6.119 2.872 1.00 0.00 H new ATOM 288 N HIS A 23 7.101 -7.855 2.690 1.00 0.00 N ATOM 289 CA HIS A 23 5.835 -8.568 2.659 1.00 0.00 C ATOM 290 C HIS A 23 4.736 -7.689 3.259 1.00 0.00 C ATOM 291 O HIS A 23 4.799 -7.325 4.433 1.00 0.00 O ATOM 292 CB HIS A 23 5.958 -9.924 3.359 1.00 0.00 C ATOM 293 CG HIS A 23 5.525 -9.910 4.805 1.00 0.00 C ATOM 294 ND1 HIS A 23 5.934 -9.135 5.851 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 4.561 -10.767 5.308 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 5.256 -9.498 6.933 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 4.405 -10.510 6.598 1.00 0.00 N flip ATOM 0 H HIS A 23 7.632 -7.966 3.554 1.00 0.00 H new ATOM 0 HA HIS A 23 5.559 -8.781 1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.359 -10.656 2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.994 -10.257 3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.027 -11.518 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.361 -9.064 7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.761 -10.986 7.230 1.00 0.00 H new ATOM 305 N LEU A 24 3.756 -7.372 2.427 1.00 0.00 N ATOM 306 CA LEU A 24 2.644 -6.543 2.860 1.00 0.00 C ATOM 307 C LEU A 24 2.099 -7.079 4.185 1.00 0.00 C ATOM 308 O LEU A 24 2.086 -8.288 4.411 1.00 0.00 O ATOM 309 CB LEU A 24 1.589 -6.441 1.757 1.00 0.00 C ATOM 310 CG LEU A 24 1.681 -5.212 0.851 1.00 0.00 C ATOM 311 CD1 LEU A 24 1.080 -3.981 1.534 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.123 -4.970 0.400 1.00 0.00 C ATOM 0 H LEU A 24 3.708 -7.674 1.454 1.00 0.00 H new ATOM 0 HA LEU A 24 2.979 -5.522 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.657 -7.333 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.603 -6.451 2.223 1.00 0.00 H new ATOM 0 HG LEU A 24 1.091 -5.403 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.158 -3.121 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.031 -4.168 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.622 -3.776 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.160 -4.091 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.755 -4.808 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.482 -5.839 -0.152 1.00 0.00 H new ATOM 324 N SER A 25 1.663 -6.153 5.027 1.00 0.00 N ATOM 325 CA SER A 25 1.119 -6.518 6.324 1.00 0.00 C ATOM 326 C SER A 25 -0.051 -5.597 6.678 1.00 0.00 C ATOM 327 O SER A 25 -0.116 -4.462 6.208 1.00 0.00 O ATOM 328 CB SER A 25 2.193 -6.453 7.410 1.00 0.00 C ATOM 329 OG SER A 25 3.450 -6.939 6.948 1.00 0.00 O ATOM 0 H SER A 25 1.675 -5.151 4.836 1.00 0.00 H new ATOM 0 HA SER A 25 0.760 -7.546 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.305 -5.423 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.873 -7.038 8.272 1.00 0.00 H new ATOM 0 HG SER A 25 4.109 -6.880 7.671 1.00 0.00 H new ATOM 335 N PHE A 26 -0.945 -6.120 7.504 1.00 0.00 N ATOM 336 CA PHE A 26 -2.109 -5.359 7.926 1.00 0.00 C ATOM 337 C PHE A 26 -2.406 -5.589 9.409 1.00 0.00 C ATOM 338 O PHE A 26 -2.261 -6.704 9.909 1.00 0.00 O ATOM 339 CB PHE A 26 -3.294 -5.857 7.097 1.00 0.00 C ATOM 340 CG PHE A 26 -3.163 -5.584 5.597 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.705 -4.380 5.163 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.505 -6.546 4.699 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.584 -4.127 3.771 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.384 -6.294 3.307 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.925 -5.089 2.872 1.00 0.00 C ATOM 0 H PHE A 26 -0.887 -7.061 7.892 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.930 -4.294 7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.407 -6.930 7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.205 -5.384 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.433 -3.616 5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.869 -7.502 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.221 -3.170 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.656 -7.058 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.832 -4.897 1.813 1.00 0.00 H new ATOM 355 N SER A 27 -2.815 -4.517 10.071 1.00 0.00 N ATOM 356 CA SER A 27 -3.134 -4.589 11.487 1.00 0.00 C ATOM 357 C SER A 27 -4.166 -3.518 11.846 1.00 0.00 C ATOM 358 O SER A 27 -4.362 -2.563 11.096 1.00 0.00 O ATOM 359 CB SER A 27 -1.877 -4.422 12.344 1.00 0.00 C ATOM 360 OG SER A 27 -1.121 -5.627 12.422 1.00 0.00 O ATOM 0 H SER A 27 -2.933 -3.594 9.653 1.00 0.00 H new ATOM 0 HA SER A 27 -3.554 -5.573 11.693 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.255 -3.630 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.162 -4.107 13.348 1.00 0.00 H new ATOM 0 HG SER A 27 -1.391 -6.230 11.698 1.00 0.00 H new ATOM 366 N GLU A 28 -4.800 -3.714 12.993 1.00 0.00 N ATOM 367 CA GLU A 28 -5.808 -2.777 13.460 1.00 0.00 C ATOM 368 C GLU A 28 -6.786 -2.443 12.332 1.00 0.00 C ATOM 369 O GLU A 28 -7.004 -1.273 12.021 1.00 0.00 O ATOM 370 CB GLU A 28 -5.161 -1.508 14.018 1.00 0.00 C ATOM 371 CG GLU A 28 -4.383 -1.809 15.301 1.00 0.00 C ATOM 372 CD GLU A 28 -4.834 -0.894 16.442 1.00 0.00 C ATOM 373 OE1 GLU A 28 -5.038 0.306 16.161 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.964 -1.417 17.571 1.00 0.00 O ATOM 0 H GLU A 28 -4.635 -4.507 13.612 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.365 -3.248 14.270 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.490 -1.080 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.930 -0.762 14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.532 -2.851 15.585 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.316 -1.676 15.123 1.00 0.00 H new ATOM 381 N ILE A 29 -7.348 -3.492 11.749 1.00 0.00 N ATOM 382 CA ILE A 29 -8.298 -3.324 10.662 1.00 0.00 C ATOM 383 C ILE A 29 -9.693 -3.084 11.242 1.00 0.00 C ATOM 384 O ILE A 29 -10.100 -3.757 12.188 1.00 0.00 O ATOM 385 CB ILE A 29 -8.227 -4.512 9.701 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.777 -4.838 9.338 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.087 -4.266 8.460 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.700 -5.585 8.005 1.00 0.00 C ATOM 0 H ILE A 29 -7.164 -4.461 12.009 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.045 -2.447 10.067 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.636 -5.386 10.208 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.198 -3.917 9.277 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.329 -5.444 10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.018 -5.126 7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.125 -4.121 8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.731 -3.376 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.658 -5.805 7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.260 -6.517 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.127 -4.966 7.216 1.00 0.00 H new ATOM 400 N LEU A 30 -10.388 -2.124 10.650 1.00 0.00 N ATOM 401 CA LEU A 30 -11.729 -1.787 11.095 1.00 0.00 C ATOM 402 C LEU A 30 -12.732 -2.143 9.996 1.00 0.00 C ATOM 403 O LEU A 30 -12.785 -3.287 9.546 1.00 0.00 O ATOM 404 CB LEU A 30 -11.795 -0.324 11.537 1.00 0.00 C ATOM 405 CG LEU A 30 -10.964 0.043 12.769 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.346 -0.828 13.967 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.467 -0.028 12.461 1.00 0.00 C ATOM 0 H LEU A 30 -10.047 -1.569 9.865 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.997 -2.374 11.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.471 0.301 10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.836 -0.072 11.738 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.188 1.075 13.038 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.741 -0.547 14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.401 -0.683 14.201 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.169 -1.876 13.726 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.899 0.237 13.353 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.207 -1.041 12.153 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.227 0.669 11.658 1.00 0.00 H new ATOM 419 N ASP A 31 -13.502 -1.143 9.596 1.00 0.00 N ATOM 420 CA ASP A 31 -14.501 -1.336 8.557 1.00 0.00 C ATOM 421 C ASP A 31 -14.088 -0.556 7.308 1.00 0.00 C ATOM 422 O ASP A 31 -14.400 -0.960 6.188 1.00 0.00 O ATOM 423 CB ASP A 31 -15.869 -0.820 9.006 1.00 0.00 C ATOM 424 CG ASP A 31 -15.893 0.641 9.458 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.901 1.054 10.098 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.902 1.313 9.155 1.00 0.00 O ATOM 0 H ASP A 31 -13.455 -0.196 9.972 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.569 -2.404 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.574 -0.942 8.184 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.225 -1.444 9.826 1.00 0.00 H new ATOM 431 N THR A 32 -13.393 0.548 7.540 1.00 0.00 N ATOM 432 CA THR A 32 -12.934 1.388 6.447 1.00 0.00 C ATOM 433 C THR A 32 -11.568 1.993 6.777 1.00 0.00 C ATOM 434 O THR A 32 -11.170 2.995 6.184 1.00 0.00 O ATOM 435 CB THR A 32 -14.013 2.437 6.173 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.948 3.306 7.301 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.426 1.854 6.233 1.00 0.00 C ATOM 0 H THR A 32 -13.137 0.880 8.470 1.00 0.00 H new ATOM 0 HA THR A 32 -12.786 0.807 5.537 1.00 0.00 H new ATOM 0 HB THR A 32 -13.845 2.881 5.192 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.614 4.018 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.153 2.641 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.527 1.067 5.486 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.606 1.439 7.225 1.00 0.00 H new ATOM 445 N SER A 33 -10.888 1.360 7.721 1.00 0.00 N ATOM 446 CA SER A 33 -9.575 1.823 8.136 1.00 0.00 C ATOM 447 C SER A 33 -8.703 0.632 8.539 1.00 0.00 C ATOM 448 O SER A 33 -9.161 -0.269 9.239 1.00 0.00 O ATOM 449 CB SER A 33 -9.683 2.817 9.294 1.00 0.00 C ATOM 450 OG SER A 33 -10.878 2.632 10.048 1.00 0.00 O ATOM 0 H SER A 33 -11.222 0.530 8.211 1.00 0.00 H new ATOM 0 HA SER A 33 -9.111 2.336 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.820 2.704 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.655 3.834 8.902 1.00 0.00 H new ATOM 0 HG SER A 33 -10.908 3.284 10.779 1.00 0.00 H new ATOM 456 N LEU A 34 -7.461 0.667 8.078 1.00 0.00 N ATOM 457 CA LEU A 34 -6.521 -0.399 8.381 1.00 0.00 C ATOM 458 C LEU A 34 -5.093 0.121 8.202 1.00 0.00 C ATOM 459 O LEU A 34 -4.844 0.985 7.362 1.00 0.00 O ATOM 460 CB LEU A 34 -6.832 -1.642 7.546 1.00 0.00 C ATOM 461 CG LEU A 34 -6.598 -1.514 6.039 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.108 -1.606 5.706 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.423 -2.545 5.266 1.00 0.00 C ATOM 0 H LEU A 34 -7.084 1.416 7.497 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.620 -0.710 9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.225 -2.467 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.875 -1.914 7.710 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.938 -0.528 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.969 -1.512 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.572 -0.803 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.719 -2.568 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.238 -2.432 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.137 -3.549 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.483 -2.389 5.469 1.00 0.00 H new ATOM 475 N LYS A 35 -4.193 -0.427 9.005 1.00 0.00 N ATOM 476 CA LYS A 35 -2.796 -0.030 8.945 1.00 0.00 C ATOM 477 C LYS A 35 -2.048 -0.954 7.983 1.00 0.00 C ATOM 478 O LYS A 35 -2.268 -2.164 7.982 1.00 0.00 O ATOM 479 CB LYS A 35 -2.192 0.015 10.350 1.00 0.00 C ATOM 480 CG LYS A 35 -0.941 0.896 10.381 1.00 0.00 C ATOM 481 CD LYS A 35 0.301 0.101 9.975 1.00 0.00 C ATOM 482 CE LYS A 35 1.038 -0.431 11.206 1.00 0.00 C ATOM 483 NZ LYS A 35 1.310 -1.879 11.062 1.00 0.00 N ATOM 0 H LYS A 35 -4.404 -1.143 9.701 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.704 0.982 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.929 0.399 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.938 -0.995 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.071 1.742 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.804 1.304 11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.011 -0.731 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.969 0.736 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.975 0.110 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.440 -0.255 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.078 -2.154 11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.452 -2.418 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.591 -2.084 10.082 1.00 0.00 H new ATOM 497 N VAL A 36 -1.179 -0.348 7.187 1.00 0.00 N ATOM 498 CA VAL A 36 -0.397 -1.102 6.222 1.00 0.00 C ATOM 499 C VAL A 36 1.083 -1.029 6.602 1.00 0.00 C ATOM 500 O VAL A 36 1.572 0.024 7.009 1.00 0.00 O ATOM 501 CB VAL A 36 -0.677 -0.590 4.807 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.302 -1.198 3.801 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.125 -0.867 4.400 1.00 0.00 C ATOM 0 H VAL A 36 -0.999 0.656 7.191 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.684 -2.153 6.236 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.530 0.490 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.081 -0.818 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.321 -0.927 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.202 -2.283 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.297 -0.493 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.311 -1.941 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.800 -0.365 5.093 1.00 0.00 H new ATOM 513 N SER A 37 1.755 -2.161 6.457 1.00 0.00 N ATOM 514 CA SER A 37 3.170 -2.239 6.781 1.00 0.00 C ATOM 515 C SER A 37 3.902 -3.077 5.731 1.00 0.00 C ATOM 516 O SER A 37 3.320 -3.988 5.143 1.00 0.00 O ATOM 517 CB SER A 37 3.384 -2.830 8.176 1.00 0.00 C ATOM 518 OG SER A 37 2.199 -3.431 8.689 1.00 0.00 O ATOM 0 H SER A 37 1.346 -3.032 6.119 1.00 0.00 H new ATOM 0 HA SER A 37 3.578 -1.228 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.180 -3.574 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.715 -2.045 8.855 1.00 0.00 H new ATOM 0 HG SER A 37 2.413 -3.934 9.502 1.00 0.00 H new ATOM 524 N TRP A 38 5.167 -2.739 5.527 1.00 0.00 N ATOM 525 CA TRP A 38 5.984 -3.449 4.558 1.00 0.00 C ATOM 526 C TRP A 38 7.444 -3.344 5.003 1.00 0.00 C ATOM 527 O TRP A 38 7.740 -2.742 6.034 1.00 0.00 O ATOM 528 CB TRP A 38 5.749 -2.913 3.145 1.00 0.00 C ATOM 529 CG TRP A 38 6.043 -1.420 2.989 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.212 -0.836 2.689 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.100 -0.337 3.138 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.091 0.538 2.635 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.766 0.851 2.916 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.730 -0.362 3.450 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.144 2.103 2.983 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.122 0.898 3.513 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.778 2.103 3.292 1.00 0.00 C ATOM 0 H TRP A 38 5.646 -1.983 6.016 1.00 0.00 H new ATOM 0 HA TRP A 38 5.707 -4.503 4.519 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.374 -3.471 2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.713 -3.100 2.864 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.132 -1.373 2.512 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.837 1.202 2.427 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.189 -1.280 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.688 3.019 2.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.069 0.936 3.750 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.237 3.035 3.358 1.00 0.00 H new ATOM 548 N GLN A 39 8.318 -3.937 4.203 1.00 0.00 N ATOM 549 CA GLN A 39 9.740 -3.917 4.502 1.00 0.00 C ATOM 550 C GLN A 39 10.531 -3.444 3.282 1.00 0.00 C ATOM 551 O GLN A 39 9.951 -3.129 2.244 1.00 0.00 O ATOM 552 CB GLN A 39 10.221 -5.293 4.968 1.00 0.00 C ATOM 553 CG GLN A 39 10.580 -5.273 6.455 1.00 0.00 C ATOM 554 CD GLN A 39 12.090 -5.424 6.657 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.688 -6.433 6.324 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.669 -4.367 7.220 1.00 0.00 N ATOM 0 H GLN A 39 8.069 -4.434 3.348 1.00 0.00 H new ATOM 0 HA GLN A 39 9.911 -3.214 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.443 -6.035 4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.090 -5.595 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.241 -4.338 6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.058 -6.080 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.108 -3.554 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.673 -4.370 7.397 1.00 0.00 H new ATOM 565 N GLU A 40 11.846 -3.408 3.446 1.00 0.00 N ATOM 566 CA GLU A 40 12.723 -2.978 2.371 1.00 0.00 C ATOM 567 C GLU A 40 12.904 -4.104 1.351 1.00 0.00 C ATOM 568 O GLU A 40 13.020 -5.270 1.722 1.00 0.00 O ATOM 569 CB GLU A 40 14.074 -2.513 2.918 1.00 0.00 C ATOM 570 CG GLU A 40 14.264 -1.009 2.705 1.00 0.00 C ATOM 571 CD GLU A 40 15.469 -0.492 3.492 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.902 -1.220 4.411 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.931 0.621 3.157 1.00 0.00 O ATOM 0 H GLU A 40 12.325 -3.670 4.308 1.00 0.00 H new ATOM 0 HA GLU A 40 12.259 -2.129 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.139 -2.744 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.878 -3.058 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.403 -0.803 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.365 -0.477 3.018 1.00 0.00 H new ATOM 580 N PRO A 41 12.921 -3.704 0.051 1.00 0.00 N ATOM 581 CA PRO A 41 13.085 -4.666 -1.026 1.00 0.00 C ATOM 582 C PRO A 41 14.536 -5.144 -1.117 1.00 0.00 C ATOM 583 O PRO A 41 15.456 -4.425 -0.732 1.00 0.00 O ATOM 584 CB PRO A 41 12.619 -3.939 -2.277 1.00 0.00 C ATOM 585 CG PRO A 41 12.651 -2.458 -1.935 1.00 0.00 C ATOM 586 CD PRO A 41 12.785 -2.331 -0.427 1.00 0.00 C ATOM 0 HA PRO A 41 12.504 -5.575 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.271 -4.159 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.614 -4.253 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.487 -1.969 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.741 -1.967 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.653 -1.730 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.912 -1.845 0.008 1.00 0.00 H new ATOM 594 N GLY A 42 14.694 -6.356 -1.630 1.00 0.00 N ATOM 595 CA GLY A 42 16.017 -6.939 -1.777 1.00 0.00 C ATOM 596 C GLY A 42 16.760 -6.320 -2.963 1.00 0.00 C ATOM 597 O GLY A 42 17.985 -6.205 -2.941 1.00 0.00 O ATOM 0 H GLY A 42 13.928 -6.950 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.590 -6.784 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.930 -8.016 -1.920 1.00 0.00 H new ATOM 601 N GLU A 43 15.988 -5.939 -3.970 1.00 0.00 N ATOM 602 CA GLU A 43 16.557 -5.336 -5.163 1.00 0.00 C ATOM 603 C GLU A 43 16.693 -3.823 -4.979 1.00 0.00 C ATOM 604 O GLU A 43 16.400 -3.054 -5.894 1.00 0.00 O ATOM 605 CB GLU A 43 15.717 -5.665 -6.398 1.00 0.00 C ATOM 606 CG GLU A 43 16.219 -6.940 -7.078 1.00 0.00 C ATOM 607 CD GLU A 43 17.676 -6.789 -7.521 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.888 -6.113 -8.551 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.543 -7.353 -6.820 1.00 0.00 O ATOM 0 H GLU A 43 14.973 -6.036 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 43 17.551 -5.754 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.673 -5.789 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.757 -4.833 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.129 -7.782 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.594 -7.166 -7.942 1.00 0.00 H new ATOM 616 N LYS A 44 17.138 -3.441 -3.791 1.00 0.00 N ATOM 617 CA LYS A 44 17.316 -2.034 -3.476 1.00 0.00 C ATOM 618 C LYS A 44 17.886 -1.310 -4.698 1.00 0.00 C ATOM 619 O LYS A 44 17.570 -0.146 -4.937 1.00 0.00 O ATOM 620 CB LYS A 44 18.165 -1.871 -2.213 1.00 0.00 C ATOM 621 CG LYS A 44 17.413 -2.370 -0.978 1.00 0.00 C ATOM 622 CD LYS A 44 18.041 -1.823 0.305 1.00 0.00 C ATOM 623 CE LYS A 44 16.985 -1.638 1.396 1.00 0.00 C ATOM 624 NZ LYS A 44 17.493 -2.127 2.698 1.00 0.00 N ATOM 0 H LYS A 44 17.381 -4.081 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 44 16.356 -1.570 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.097 -2.425 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.431 -0.822 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.369 -2.063 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.424 -3.460 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.815 -2.506 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.527 -0.869 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.717 -0.584 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.077 -2.178 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.702 -2.217 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.944 -3.055 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.190 -1.453 3.074 1.00 0.00 H new ATOM 638 N ASN A 45 18.716 -2.030 -5.438 1.00 0.00 N ATOM 639 CA ASN A 45 19.332 -1.471 -6.629 1.00 0.00 C ATOM 640 C ASN A 45 19.785 -0.038 -6.340 1.00 0.00 C ATOM 641 O ASN A 45 19.848 0.792 -7.245 1.00 0.00 O ATOM 642 CB ASN A 45 18.341 -1.427 -7.794 1.00 0.00 C ATOM 643 CG ASN A 45 18.652 -2.518 -8.820 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.716 -2.563 -9.414 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.665 -3.394 -8.994 1.00 0.00 N ATOM 0 H ASN A 45 18.976 -2.995 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 45 20.178 -2.104 -6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.326 -1.555 -7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.382 -0.449 -8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.775 -4.161 -9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.799 -3.298 -8.464 1.00 0.00 H new ATOM 652 N GLY A 46 20.089 0.208 -5.074 1.00 0.00 N ATOM 653 CA GLY A 46 20.534 1.525 -4.653 1.00 0.00 C ATOM 654 C GLY A 46 19.931 1.902 -3.299 1.00 0.00 C ATOM 655 O GLY A 46 19.959 1.107 -2.360 1.00 0.00 O ATOM 0 H GLY A 46 20.036 -0.483 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.622 1.541 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.249 2.265 -5.401 1.00 0.00 H new ATOM 659 N ILE A 47 19.399 3.114 -3.240 1.00 0.00 N ATOM 660 CA ILE A 47 18.789 3.605 -2.016 1.00 0.00 C ATOM 661 C ILE A 47 17.391 4.141 -2.327 1.00 0.00 C ATOM 662 O ILE A 47 17.183 4.786 -3.354 1.00 0.00 O ATOM 663 CB ILE A 47 19.702 4.627 -1.336 1.00 0.00 C ATOM 664 CG1 ILE A 47 20.909 3.941 -0.691 1.00 0.00 C ATOM 665 CG2 ILE A 47 18.922 5.477 -0.331 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.465 2.807 0.234 1.00 0.00 C ATOM 0 H ILE A 47 19.378 3.771 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 47 18.667 2.793 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 47 20.086 5.303 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.565 3.546 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.488 4.671 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.595 6.195 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.124 6.011 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.490 4.831 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.342 2.336 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.829 3.209 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.908 2.066 -0.340 1.00 0.00 H new ATOM 678 N LEU A 48 16.467 3.855 -1.421 1.00 0.00 N ATOM 679 CA LEU A 48 15.094 4.300 -1.586 1.00 0.00 C ATOM 680 C LEU A 48 14.941 5.700 -0.988 1.00 0.00 C ATOM 681 O LEU A 48 15.507 5.994 0.064 1.00 0.00 O ATOM 682 CB LEU A 48 14.123 3.272 -1.001 1.00 0.00 C ATOM 683 CG LEU A 48 14.496 1.803 -1.211 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.958 1.554 -2.648 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.539 1.351 -0.187 1.00 0.00 C ATOM 0 H LEU A 48 16.643 3.320 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 48 14.843 4.375 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.034 3.454 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.138 3.442 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 48 13.604 1.198 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.217 0.502 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.155 1.812 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.832 2.170 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.787 0.303 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.438 1.958 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.136 1.469 0.819 1.00 0.00 H new ATOM 697 N THR A 49 14.173 6.525 -1.684 1.00 0.00 N ATOM 698 CA THR A 49 13.938 7.887 -1.234 1.00 0.00 C ATOM 699 C THR A 49 12.497 8.046 -0.746 1.00 0.00 C ATOM 700 O THR A 49 12.092 9.135 -0.340 1.00 0.00 O ATOM 701 CB THR A 49 14.299 8.832 -2.382 1.00 0.00 C ATOM 702 OG1 THR A 49 13.535 8.348 -3.483 1.00 0.00 O ATOM 703 CG2 THR A 49 15.751 8.674 -2.837 1.00 0.00 C ATOM 0 H THR A 49 13.705 6.277 -2.556 1.00 0.00 H new ATOM 0 HA THR A 49 14.566 8.136 -0.379 1.00 0.00 H new ATOM 0 HB THR A 49 14.127 9.862 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.708 8.905 -4.271 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.954 9.367 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.419 8.889 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.916 7.652 -3.180 1.00 0.00 H new ATOM 711 N GLY A 50 11.762 6.945 -0.801 1.00 0.00 N ATOM 712 CA GLY A 50 10.375 6.949 -0.369 1.00 0.00 C ATOM 713 C GLY A 50 9.648 5.690 -0.845 1.00 0.00 C ATOM 714 O GLY A 50 10.238 4.847 -1.520 1.00 0.00 O ATOM 0 H GLY A 50 12.101 6.044 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.329 7.010 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.871 7.833 -0.759 1.00 0.00 H new ATOM 718 N TYR A 51 8.379 5.601 -0.475 1.00 0.00 N ATOM 719 CA TYR A 51 7.567 4.459 -0.856 1.00 0.00 C ATOM 720 C TYR A 51 6.160 4.899 -1.268 1.00 0.00 C ATOM 721 O TYR A 51 5.481 5.600 -0.518 1.00 0.00 O ATOM 722 CB TYR A 51 7.468 3.577 0.390 1.00 0.00 C ATOM 723 CG TYR A 51 8.786 2.907 0.784 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.208 1.773 0.122 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.551 3.437 1.803 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.448 1.142 0.493 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.792 2.807 2.174 1.00 0.00 C ATOM 728 CZ TYR A 51 11.179 1.690 1.501 1.00 0.00 C ATOM 729 OH TYR A 51 12.350 1.095 1.852 1.00 0.00 O ATOM 0 H TYR A 51 7.893 6.302 0.085 1.00 0.00 H new ATOM 0 HA TYR A 51 8.012 3.937 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.117 4.183 1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.717 2.806 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.608 1.358 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.219 4.324 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.790 0.254 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.401 3.212 2.968 1.00 0.00 H new ATOM 0 HH TYR A 51 12.765 1.596 2.585 1.00 0.00 H new ATOM 739 N ARG A 52 5.765 4.471 -2.457 1.00 0.00 N ATOM 740 CA ARG A 52 4.452 4.812 -2.977 1.00 0.00 C ATOM 741 C ARG A 52 3.429 3.746 -2.579 1.00 0.00 C ATOM 742 O ARG A 52 3.623 2.562 -2.851 1.00 0.00 O ATOM 743 CB ARG A 52 4.479 4.938 -4.502 1.00 0.00 C ATOM 744 CG ARG A 52 3.554 6.062 -4.975 1.00 0.00 C ATOM 745 CD ARG A 52 3.020 5.776 -6.380 1.00 0.00 C ATOM 746 NE ARG A 52 1.574 5.464 -6.318 1.00 0.00 N ATOM 747 CZ ARG A 52 0.897 4.843 -7.293 1.00 0.00 C ATOM 748 NH1 ARG A 52 1.530 4.463 -8.412 1.00 0.00 N ATOM 749 NH2 ARG A 52 -0.413 4.602 -7.150 1.00 0.00 N ATOM 0 H ARG A 52 6.331 3.891 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 52 4.166 5.773 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.498 5.135 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.172 3.995 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.721 6.169 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.095 7.008 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.187 6.639 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.562 4.940 -6.821 1.00 0.00 H new ATOM 0 HE ARG A 52 1.061 5.739 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.527 4.647 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.014 3.990 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.895 4.891 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.929 4.129 -7.892 1.00 0.00 H new ATOM 763 N ILE A 53 2.363 4.204 -1.940 1.00 0.00 N ATOM 764 CA ILE A 53 1.310 3.304 -1.501 1.00 0.00 C ATOM 765 C ILE A 53 0.012 3.648 -2.235 1.00 0.00 C ATOM 766 O ILE A 53 -0.238 4.811 -2.549 1.00 0.00 O ATOM 767 CB ILE A 53 1.180 3.334 0.023 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.084 2.379 0.499 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.955 4.761 0.527 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.015 2.374 2.026 1.00 0.00 C ATOM 0 H ILE A 53 2.206 5.186 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 53 1.559 2.274 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 53 2.119 2.986 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.873 2.676 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.295 1.371 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.866 4.753 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.799 5.387 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.040 5.161 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.802 1.687 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.936 2.053 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.250 3.378 2.379 1.00 0.00 H new ATOM 782 N SER A 54 -0.779 2.616 -2.487 1.00 0.00 N ATOM 783 CA SER A 54 -2.044 2.794 -3.179 1.00 0.00 C ATOM 784 C SER A 54 -3.024 1.692 -2.770 1.00 0.00 C ATOM 785 O SER A 54 -2.794 0.517 -3.053 1.00 0.00 O ATOM 786 CB SER A 54 -1.848 2.794 -4.696 1.00 0.00 C ATOM 787 OG SER A 54 -0.584 2.254 -5.071 1.00 0.00 O ATOM 0 H SER A 54 -0.568 1.653 -2.224 1.00 0.00 H new ATOM 0 HA SER A 54 -2.456 3.762 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.643 2.214 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.933 3.813 -5.072 1.00 0.00 H new ATOM 0 HG SER A 54 -0.498 2.270 -6.047 1.00 0.00 H new ATOM 793 N TRP A 55 -4.095 2.110 -2.112 1.00 0.00 N ATOM 794 CA TRP A 55 -5.110 1.172 -1.662 1.00 0.00 C ATOM 795 C TRP A 55 -6.316 1.299 -2.594 1.00 0.00 C ATOM 796 O TRP A 55 -6.957 2.348 -2.647 1.00 0.00 O ATOM 797 CB TRP A 55 -5.462 1.409 -0.192 1.00 0.00 C ATOM 798 CG TRP A 55 -6.068 2.786 0.088 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.288 3.233 -0.241 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.429 3.884 0.774 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.481 4.533 0.180 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.314 4.941 0.817 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.145 3.979 1.338 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.011 6.170 1.414 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.858 5.214 1.932 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.738 6.289 1.983 1.00 0.00 C ATOM 0 H TRP A 55 -4.282 3.085 -1.880 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.739 0.148 -1.710 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.165 0.641 0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.561 1.290 0.410 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.027 2.649 -0.769 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.324 5.092 0.048 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.436 3.164 1.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.722 6.983 1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.884 5.340 2.382 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.441 7.212 2.459 1.00 0.00 H new ATOM 817 N GLU A 56 -6.590 0.215 -3.306 1.00 0.00 N ATOM 818 CA GLU A 56 -7.709 0.192 -4.233 1.00 0.00 C ATOM 819 C GLU A 56 -8.532 -1.083 -4.039 1.00 0.00 C ATOM 820 O GLU A 56 -7.979 -2.148 -3.769 1.00 0.00 O ATOM 821 CB GLU A 56 -7.225 0.319 -5.679 1.00 0.00 C ATOM 822 CG GLU A 56 -6.783 -1.038 -6.229 1.00 0.00 C ATOM 823 CD GLU A 56 -6.014 -0.873 -7.542 1.00 0.00 C ATOM 824 OE1 GLU A 56 -5.186 0.061 -7.601 1.00 0.00 O ATOM 825 OE2 GLU A 56 -6.273 -1.684 -8.457 1.00 0.00 O ATOM 0 H GLU A 56 -6.057 -0.653 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.349 1.049 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.024 0.724 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.395 1.023 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.154 -1.544 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.656 -1.670 -6.391 1.00 0.00 H new ATOM 832 N GLU A 57 -9.840 -0.933 -4.185 1.00 0.00 N ATOM 833 CA GLU A 57 -10.745 -2.059 -4.030 1.00 0.00 C ATOM 834 C GLU A 57 -10.204 -3.281 -4.776 1.00 0.00 C ATOM 835 O GLU A 57 -9.242 -3.174 -5.534 1.00 0.00 O ATOM 836 CB GLU A 57 -12.153 -1.702 -4.511 1.00 0.00 C ATOM 837 CG GLU A 57 -13.024 -1.223 -3.349 1.00 0.00 C ATOM 838 CD GLU A 57 -14.181 -2.192 -3.095 1.00 0.00 C ATOM 839 OE1 GLU A 57 -13.894 -3.405 -2.999 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.325 -1.698 -3.003 1.00 0.00 O ATOM 0 H GLU A 57 -10.295 -0.048 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.811 -2.304 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.095 -0.923 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.612 -2.572 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.417 -1.132 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.418 -0.231 -3.570 1.00 0.00 H new ATOM 847 N TYR A 58 -10.847 -4.414 -4.534 1.00 0.00 N ATOM 848 CA TYR A 58 -10.442 -5.655 -5.173 1.00 0.00 C ATOM 849 C TYR A 58 -10.220 -5.452 -6.673 1.00 0.00 C ATOM 850 O TYR A 58 -9.108 -5.630 -7.169 1.00 0.00 O ATOM 851 CB TYR A 58 -11.602 -6.632 -4.969 1.00 0.00 C ATOM 852 CG TYR A 58 -11.507 -7.897 -5.824 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.411 -8.728 -5.708 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.518 -8.207 -6.712 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.322 -9.919 -6.513 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.429 -9.398 -7.517 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.335 -10.195 -7.378 1.00 0.00 C ATOM 858 OH TYR A 58 -11.251 -11.320 -8.138 1.00 0.00 O ATOM 0 H TYR A 58 -11.645 -4.499 -3.905 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.508 -6.020 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.642 -6.918 -3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.538 -6.122 -5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.620 -8.485 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.375 -7.556 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.470 -10.578 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.213 -9.653 -8.215 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.045 -11.390 -8.708 1.00 0.00 H new ATOM 868 N ASN A 59 -11.295 -5.082 -7.354 1.00 0.00 N ATOM 869 CA ASN A 59 -11.231 -4.853 -8.787 1.00 0.00 C ATOM 870 C ASN A 59 -11.859 -3.495 -9.111 1.00 0.00 C ATOM 871 O ASN A 59 -12.837 -3.421 -9.853 1.00 0.00 O ATOM 872 CB ASN A 59 -12.007 -5.927 -9.552 1.00 0.00 C ATOM 873 CG ASN A 59 -13.502 -5.854 -9.234 1.00 0.00 C ATOM 874 OD1 ASN A 59 -13.936 -5.176 -8.317 1.00 0.00 O ATOM 875 ND2 ASN A 59 -14.262 -6.590 -10.040 1.00 0.00 N ATOM 0 H ASN A 59 -12.215 -4.935 -6.939 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.183 -4.883 -9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.853 -5.799 -10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.624 -6.913 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.273 -6.610 -9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.833 -7.134 -10.789 1.00 0.00 H new ATOM 882 N ARG A 60 -11.271 -2.455 -8.537 1.00 0.00 N ATOM 883 CA ARG A 60 -11.761 -1.105 -8.756 1.00 0.00 C ATOM 884 C ARG A 60 -10.655 -0.087 -8.470 1.00 0.00 C ATOM 885 O ARG A 60 -10.398 0.248 -7.315 1.00 0.00 O ATOM 886 CB ARG A 60 -12.965 -0.804 -7.861 1.00 0.00 C ATOM 887 CG ARG A 60 -13.634 -2.097 -7.389 1.00 0.00 C ATOM 888 CD ARG A 60 -14.744 -1.803 -6.378 1.00 0.00 C ATOM 889 NE ARG A 60 -16.059 -2.169 -6.950 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.235 -1.861 -6.387 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.267 -1.179 -5.233 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.379 -2.234 -6.977 1.00 0.00 N ATOM 0 H ARG A 60 -10.461 -2.520 -7.921 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.070 -1.029 -9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.644 -0.220 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.686 -0.196 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.049 -2.629 -8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.889 -2.752 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.569 -2.364 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.735 -0.746 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.071 -2.688 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.396 -0.895 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.162 -0.944 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.355 -2.753 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.274 -1.999 -6.548 1.00 0.00 H new ATOM 906 N THR A 61 -10.030 0.377 -9.542 1.00 0.00 N ATOM 907 CA THR A 61 -8.958 1.350 -9.422 1.00 0.00 C ATOM 908 C THR A 61 -9.531 2.746 -9.168 1.00 0.00 C ATOM 909 O THR A 61 -8.816 3.642 -8.721 1.00 0.00 O ATOM 910 CB THR A 61 -8.099 1.266 -10.685 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.531 -0.040 -10.632 1.00 0.00 O ATOM 912 CG2 THR A 61 -6.889 2.201 -10.633 1.00 0.00 C ATOM 0 H THR A 61 -10.246 0.097 -10.499 1.00 0.00 H new ATOM 0 HA THR A 61 -8.321 1.133 -8.564 1.00 0.00 H new ATOM 0 HB THR A 61 -8.708 1.509 -11.555 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.334 -0.273 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.313 2.102 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.229 3.231 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.261 1.937 -9.782 1.00 0.00 H new ATOM 920 N ASN A 62 -10.814 2.887 -9.464 1.00 0.00 N ATOM 921 CA ASN A 62 -11.491 4.158 -9.274 1.00 0.00 C ATOM 922 C ASN A 62 -11.358 4.588 -7.812 1.00 0.00 C ATOM 923 O ASN A 62 -11.440 5.775 -7.500 1.00 0.00 O ATOM 924 CB ASN A 62 -12.982 4.043 -9.599 1.00 0.00 C ATOM 925 CG ASN A 62 -13.473 5.272 -10.366 1.00 0.00 C ATOM 926 OD1 ASN A 62 -12.702 6.109 -10.807 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.795 5.335 -10.499 1.00 0.00 N ATOM 0 H ASN A 62 -11.403 2.141 -9.834 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.032 4.887 -9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.160 3.145 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.552 3.935 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.221 6.118 -10.995 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.383 4.600 -10.105 1.00 0.00 H new ATOM 934 N THR A 63 -11.155 3.599 -6.954 1.00 0.00 N ATOM 935 CA THR A 63 -11.009 3.860 -5.532 1.00 0.00 C ATOM 936 C THR A 63 -9.542 3.742 -5.115 1.00 0.00 C ATOM 937 O THR A 63 -9.243 3.414 -3.968 1.00 0.00 O ATOM 938 CB THR A 63 -11.934 2.902 -4.778 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.202 1.680 -4.730 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.191 2.552 -5.576 1.00 0.00 C ATOM 0 H THR A 63 -11.088 2.616 -7.216 1.00 0.00 H new ATOM 0 HA THR A 63 -11.303 4.880 -5.285 1.00 0.00 H new ATOM 0 HB THR A 63 -12.221 3.349 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.019 1.372 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.812 1.870 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.752 3.462 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.906 2.074 -6.513 1.00 0.00 H new ATOM 948 N ARG A 64 -8.665 4.018 -6.070 1.00 0.00 N ATOM 949 CA ARG A 64 -7.236 3.947 -5.816 1.00 0.00 C ATOM 950 C ARG A 64 -6.700 5.321 -5.412 1.00 0.00 C ATOM 951 O ARG A 64 -7.086 6.337 -5.990 1.00 0.00 O ATOM 952 CB ARG A 64 -6.481 3.456 -7.053 1.00 0.00 C ATOM 953 CG ARG A 64 -4.969 3.579 -6.857 1.00 0.00 C ATOM 954 CD ARG A 64 -4.343 4.448 -7.950 1.00 0.00 C ATOM 955 NE ARG A 64 -4.951 5.798 -7.934 1.00 0.00 N ATOM 956 CZ ARG A 64 -5.052 6.589 -9.010 1.00 0.00 C ATOM 957 NH1 ARG A 64 -4.586 6.172 -10.195 1.00 0.00 N ATOM 958 NH2 ARG A 64 -5.619 7.799 -8.902 1.00 0.00 N ATOM 0 H ARG A 64 -8.917 4.291 -7.020 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.078 3.238 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.742 2.417 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.787 4.036 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.760 4.012 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.515 2.588 -6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.267 4.523 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.493 3.984 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.316 6.147 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.154 5.252 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.663 6.775 -11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.974 8.117 -8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.696 8.401 -9.722 1.00 0.00 H new ATOM 972 N VAL A 65 -5.819 5.310 -4.423 1.00 0.00 N ATOM 973 CA VAL A 65 -5.226 6.543 -3.934 1.00 0.00 C ATOM 974 C VAL A 65 -3.712 6.499 -4.155 1.00 0.00 C ATOM 975 O VAL A 65 -3.127 5.421 -4.249 1.00 0.00 O ATOM 976 CB VAL A 65 -5.610 6.765 -2.470 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.979 5.701 -1.570 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.225 8.172 -2.009 1.00 0.00 C ATOM 0 H VAL A 65 -5.501 4.466 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.611 7.398 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.693 6.671 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.268 5.882 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.325 4.714 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.894 5.748 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.509 8.303 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.148 8.307 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.743 8.910 -2.621 1.00 0.00 H new ATOM 988 N THR A 66 -3.122 7.682 -4.230 1.00 0.00 N ATOM 989 CA THR A 66 -1.688 7.792 -4.438 1.00 0.00 C ATOM 990 C THR A 66 -1.051 8.630 -3.328 1.00 0.00 C ATOM 991 O THR A 66 -1.189 9.852 -3.311 1.00 0.00 O ATOM 992 CB THR A 66 -1.455 8.362 -5.839 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.154 7.466 -6.699 1.00 0.00 O ATOM 994 CG2 THR A 66 0.004 8.244 -6.284 1.00 0.00 C ATOM 0 H THR A 66 -3.611 8.574 -4.150 1.00 0.00 H new ATOM 0 HA THR A 66 -1.205 6.816 -4.384 1.00 0.00 H new ATOM 0 HB THR A 66 -1.757 9.409 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.057 7.762 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.114 8.663 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.642 8.791 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.297 7.194 -6.296 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.367 7.939 -2.427 1.00 0.00 N ATOM 1003 CA HIS A 67 0.291 8.604 -1.316 1.00 0.00 C ATOM 1004 C HIS A 67 1.808 8.466 -1.461 1.00 0.00 C ATOM 1005 O HIS A 67 2.288 7.636 -2.231 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.227 8.071 0.021 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.421 8.822 0.561 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.488 8.392 1.294 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.606 10.179 0.360 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.281 9.431 1.530 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.736 10.539 0.951 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.255 6.925 -2.444 1.00 0.00 H new ATOM 0 HA HIS A 67 0.054 9.668 -1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.494 7.021 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.578 8.114 0.754 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.649 7.435 1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.942 10.833 -0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.205 9.403 2.088 1.00 0.00 H new ATOM 1019 N TYR A 68 2.520 9.292 -0.709 1.00 0.00 N ATOM 1020 CA TYR A 68 3.973 9.272 -0.744 1.00 0.00 C ATOM 1021 C TYR A 68 4.555 9.265 0.670 1.00 0.00 C ATOM 1022 O TYR A 68 4.099 10.009 1.538 1.00 0.00 O ATOM 1023 CB TYR A 68 4.395 10.562 -1.450 1.00 0.00 C ATOM 1024 CG TYR A 68 4.035 10.605 -2.937 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.410 9.568 -3.767 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.336 11.679 -3.447 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.071 9.608 -5.166 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.997 11.719 -4.846 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.382 10.681 -5.637 1.00 0.00 C ATOM 1030 OH TYR A 68 3.062 10.719 -6.958 1.00 0.00 O ATOM 0 H TYR A 68 2.118 9.980 -0.072 1.00 0.00 H new ATOM 0 HA TYR A 68 4.333 8.379 -1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.926 11.409 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.473 10.686 -1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.957 8.727 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.043 12.490 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.358 8.803 -5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.450 12.554 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 68 2.569 11.544 -7.152 1.00 0.00 H new ATOM 1040 N LEU A 69 5.555 8.416 0.860 1.00 0.00 N ATOM 1041 CA LEU A 69 6.205 8.302 2.154 1.00 0.00 C ATOM 1042 C LEU A 69 7.722 8.347 1.964 1.00 0.00 C ATOM 1043 O LEU A 69 8.222 8.098 0.868 1.00 0.00 O ATOM 1044 CB LEU A 69 5.714 7.055 2.892 1.00 0.00 C ATOM 1045 CG LEU A 69 4.206 6.797 2.844 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.889 5.337 3.170 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.455 7.765 3.761 1.00 0.00 C ATOM 0 H LEU A 69 5.931 7.800 0.139 1.00 0.00 H new ATOM 0 HA LEU A 69 5.938 9.146 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.225 6.186 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.016 7.133 3.936 1.00 0.00 H new ATOM 0 HG LEU A 69 3.860 6.982 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.811 5.181 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.378 4.688 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.252 5.100 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.386 7.560 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.799 7.635 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.644 8.790 3.442 1.00 0.00 H new ATOM 1059 N PRO A 70 8.432 8.673 3.077 1.00 0.00 N ATOM 1060 CA PRO A 70 9.882 8.753 3.044 1.00 0.00 C ATOM 1061 C PRO A 70 10.508 7.357 3.012 1.00 0.00 C ATOM 1062 O PRO A 70 9.803 6.354 3.114 1.00 0.00 O ATOM 1063 CB PRO A 70 10.262 9.546 4.284 1.00 0.00 C ATOM 1064 CG PRO A 70 9.055 9.480 5.206 1.00 0.00 C ATOM 1065 CD PRO A 70 7.874 8.973 4.393 1.00 0.00 C ATOM 0 HA PRO A 70 10.255 9.243 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.144 9.122 4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.503 10.578 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.253 8.815 6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.838 10.464 5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.432 8.086 4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.087 9.724 4.328 1.00 0.00 H new ATOM 1073 N ASN A 71 11.825 7.337 2.871 1.00 0.00 N ATOM 1074 CA ASN A 71 12.554 6.080 2.825 1.00 0.00 C ATOM 1075 C ASN A 71 12.862 5.622 4.251 1.00 0.00 C ATOM 1076 O ASN A 71 13.766 4.816 4.466 1.00 0.00 O ATOM 1077 CB ASN A 71 13.882 6.241 2.082 1.00 0.00 C ATOM 1078 CG ASN A 71 14.891 7.023 2.925 1.00 0.00 C ATOM 1079 OD1 ASN A 71 15.103 8.265 2.501 1.00 0.00 O flip ATOM 1080 ND2 ASN A 71 15.440 6.530 3.897 1.00 0.00 N flip ATOM 0 H ASN A 71 12.407 8.171 2.787 1.00 0.00 H new ATOM 0 HA ASN A 71 11.935 5.350 2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.289 5.259 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.714 6.758 1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.231 5.569 4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.108 7.079 4.438 1.00 0.00 H new ATOM 1087 N VAL A 72 12.094 6.155 5.190 1.00 0.00 N ATOM 1088 CA VAL A 72 12.274 5.811 6.590 1.00 0.00 C ATOM 1089 C VAL A 72 11.019 5.100 7.101 1.00 0.00 C ATOM 1090 O VAL A 72 11.073 4.376 8.094 1.00 0.00 O ATOM 1091 CB VAL A 72 12.622 7.064 7.396 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.798 7.812 6.766 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.404 7.979 7.540 1.00 0.00 C ATOM 0 H VAL A 72 11.345 6.823 5.008 1.00 0.00 H new ATOM 0 HA VAL A 72 13.110 5.122 6.710 1.00 0.00 H new ATOM 0 HB VAL A 72 12.923 6.747 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.025 8.698 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.671 7.160 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.537 8.111 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.679 8.862 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.059 8.284 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.606 7.444 8.054 1.00 0.00 H new ATOM 1103 N THR A 73 9.919 5.333 6.400 1.00 0.00 N ATOM 1104 CA THR A 73 8.653 4.723 6.771 1.00 0.00 C ATOM 1105 C THR A 73 8.316 3.573 5.820 1.00 0.00 C ATOM 1106 O THR A 73 8.616 3.640 4.629 1.00 0.00 O ATOM 1107 CB THR A 73 7.589 5.823 6.796 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.825 6.506 8.025 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.173 5.263 6.947 1.00 0.00 C ATOM 0 H THR A 73 9.878 5.935 5.578 1.00 0.00 H new ATOM 0 HA THR A 73 8.704 4.277 7.764 1.00 0.00 H new ATOM 0 HB THR A 73 7.652 6.410 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.180 7.237 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.456 6.084 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.952 4.601 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.100 4.704 7.880 1.00 0.00 H new ATOM 1117 N LEU A 74 7.697 2.546 6.382 1.00 0.00 N ATOM 1118 CA LEU A 74 7.315 1.382 5.598 1.00 0.00 C ATOM 1119 C LEU A 74 5.902 0.949 5.992 1.00 0.00 C ATOM 1120 O LEU A 74 5.457 -0.137 5.625 1.00 0.00 O ATOM 1121 CB LEU A 74 8.360 0.274 5.742 1.00 0.00 C ATOM 1122 CG LEU A 74 9.816 0.734 5.851 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.593 -0.135 6.841 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.483 0.773 4.475 1.00 0.00 C ATOM 0 H LEU A 74 7.450 2.495 7.370 1.00 0.00 H new ATOM 0 HA LEU A 74 7.289 1.629 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.118 -0.313 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.274 -0.393 4.884 1.00 0.00 H new ATOM 0 HG LEU A 74 9.824 1.752 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.624 0.213 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.131 -0.067 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.579 -1.172 6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.516 1.103 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.464 -0.223 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.945 1.467 3.829 1.00 0.00 H new ATOM 1136 N GLU A 75 5.235 1.822 6.733 1.00 0.00 N ATOM 1137 CA GLU A 75 3.881 1.543 7.180 1.00 0.00 C ATOM 1138 C GLU A 75 3.040 2.821 7.158 1.00 0.00 C ATOM 1139 O GLU A 75 3.570 3.919 7.321 1.00 0.00 O ATOM 1140 CB GLU A 75 3.882 0.912 8.574 1.00 0.00 C ATOM 1141 CG GLU A 75 4.310 1.928 9.635 1.00 0.00 C ATOM 1142 CD GLU A 75 5.634 1.519 10.283 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.554 1.161 9.517 1.00 0.00 O ATOM 1144 OE2 GLU A 75 5.696 1.574 11.531 1.00 0.00 O ATOM 0 H GLU A 75 5.607 2.723 7.035 1.00 0.00 H new ATOM 0 HA GLU A 75 3.434 0.825 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.886 0.535 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.558 0.057 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.413 2.913 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.537 2.009 10.399 1.00 0.00 H new ATOM 1151 N TYR A 76 1.744 2.636 6.954 1.00 0.00 N ATOM 1152 CA TYR A 76 0.826 3.761 6.908 1.00 0.00 C ATOM 1153 C TYR A 76 -0.607 3.311 7.199 1.00 0.00 C ATOM 1154 O TYR A 76 -0.960 2.157 6.960 1.00 0.00 O ATOM 1155 CB TYR A 76 0.897 4.305 5.479 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.047 5.480 5.214 1.00 0.00 C ATOM 1157 CD1 TYR A 76 0.383 6.773 5.430 1.00 0.00 C ATOM 1158 CD2 TYR A 76 -1.328 5.245 4.757 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -0.506 7.879 5.179 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -2.217 6.351 4.507 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.762 7.613 4.730 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.601 8.657 4.494 1.00 0.00 O ATOM 0 H TYR A 76 1.308 1.724 6.819 1.00 0.00 H new ATOM 0 HA TYR A 76 1.097 4.508 7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.920 4.620 5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.663 3.500 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.386 6.956 5.787 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.664 4.233 4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.182 8.896 5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.222 6.182 4.150 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.464 8.318 4.176 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.395 4.246 7.710 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.782 3.960 8.036 1.00 0.00 C ATOM 1174 C ARG A 77 -3.698 4.406 6.894 1.00 0.00 C ATOM 1175 O ARG A 77 -3.627 5.549 6.447 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.202 4.669 9.325 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.460 4.031 9.916 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.675 4.944 9.738 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.213 5.334 11.060 1.00 0.00 N ATOM 1180 CZ ARG A 77 -5.704 6.313 11.819 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -4.640 7.007 11.393 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -6.258 6.598 13.006 1.00 0.00 N ATOM 0 H ARG A 77 -1.099 5.202 7.906 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.874 2.884 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.390 4.622 10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.386 5.724 9.121 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.647 3.072 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.305 3.828 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.393 5.833 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.444 4.431 9.160 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.022 4.825 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.217 6.790 10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.253 7.753 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.067 6.069 13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.870 7.344 13.584 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.537 3.479 6.455 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.466 3.762 5.375 1.00 0.00 C ATOM 1198 C VAL A 78 -6.844 4.074 5.962 1.00 0.00 C ATOM 1199 O VAL A 78 -7.218 3.532 7.001 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.488 2.596 4.384 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.495 2.850 3.261 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.091 2.331 3.819 1.00 0.00 C ATOM 0 H VAL A 78 -4.592 2.531 6.828 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.145 4.640 4.815 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.806 1.704 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.491 2.006 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.492 2.966 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.221 3.759 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.134 1.498 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.732 3.222 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.410 2.085 4.633 1.00 0.00 H new ATOM 1212 N THR A 79 -7.563 4.946 5.270 1.00 0.00 N ATOM 1213 CA THR A 79 -8.892 5.337 5.710 1.00 0.00 C ATOM 1214 C THR A 79 -9.735 5.794 4.518 1.00 0.00 C ATOM 1215 O THR A 79 -9.195 6.223 3.499 1.00 0.00 O ATOM 1216 CB THR A 79 -8.737 6.407 6.791 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.004 7.447 6.148 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.822 5.959 7.933 1.00 0.00 C ATOM 0 H THR A 79 -7.250 5.393 4.408 1.00 0.00 H new ATOM 0 HA THR A 79 -9.429 4.493 6.143 1.00 0.00 H new ATOM 0 HB THR A 79 -9.718 6.662 7.191 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.860 8.184 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.747 6.756 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.236 5.066 8.402 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.831 5.735 7.539 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.045 5.688 4.685 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.968 6.085 3.635 1.00 0.00 C ATOM 1228 C GLY A 80 -12.251 4.921 2.684 1.00 0.00 C ATOM 1229 O GLY A 80 -12.423 5.123 1.483 1.00 0.00 O ATOM 0 H GLY A 80 -11.489 5.333 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.901 6.432 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.550 6.922 3.076 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.292 3.727 3.257 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.551 2.530 2.476 1.00 0.00 C ATOM 1235 C LEU A 81 -14.039 2.182 2.563 1.00 0.00 C ATOM 1236 O LEU A 81 -14.889 3.070 2.566 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.626 1.393 2.914 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.225 1.805 3.367 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.707 0.874 4.465 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.264 1.880 2.179 1.00 0.00 C ATOM 0 H LEU A 81 -12.150 3.563 4.254 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.325 2.705 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.107 0.855 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.527 0.692 2.085 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.286 2.805 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.709 1.190 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.378 0.915 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.665 -0.147 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.275 2.175 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.202 0.904 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.629 2.615 1.462 1.00 0.00 H new ATOM 1252 N THR A 82 -14.307 0.886 2.633 1.00 0.00 N ATOM 1253 CA THR A 82 -15.677 0.409 2.721 1.00 0.00 C ATOM 1254 C THR A 82 -15.774 -0.755 3.709 1.00 0.00 C ATOM 1255 O THR A 82 -14.817 -1.508 3.883 1.00 0.00 O ATOM 1256 CB THR A 82 -16.143 0.048 1.309 1.00 0.00 C ATOM 1257 OG1 THR A 82 -16.131 1.291 0.612 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.609 -0.387 1.270 1.00 0.00 C ATOM 0 H THR A 82 -13.599 0.152 2.631 1.00 0.00 H new ATOM 0 HA THR A 82 -16.341 1.181 3.111 1.00 0.00 H new ATOM 0 HB THR A 82 -15.517 -0.751 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.238 1.450 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.889 -0.632 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.745 -1.264 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.239 0.424 1.634 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.939 -0.866 4.331 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.174 -1.925 5.297 1.00 0.00 C ATOM 1268 C ALA A 83 -17.351 -3.253 4.558 1.00 0.00 C ATOM 1269 O ALA A 83 -17.970 -3.299 3.496 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.387 -1.571 6.158 1.00 0.00 C ATOM 0 H ALA A 83 -17.730 -0.239 4.184 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.320 -2.031 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.563 -2.366 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.199 -0.635 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.265 -1.459 5.522 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.796 -4.302 5.149 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.886 -5.627 4.560 1.00 0.00 C ATOM 1278 C LEU A 84 -16.665 -5.525 3.049 1.00 0.00 C ATOM 1279 O LEU A 84 -17.521 -5.930 2.264 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.206 -6.296 4.944 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.470 -6.447 6.444 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.643 -7.395 6.702 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.204 -6.888 7.182 1.00 0.00 C ATOM 0 H LEU A 84 -16.283 -4.261 6.029 1.00 0.00 H new ATOM 0 HA LEU A 84 -16.102 -6.273 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.022 -5.721 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.235 -7.286 4.489 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.751 -5.472 6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.809 -7.484 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.541 -7.000 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.415 -8.377 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.419 -6.988 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.869 -7.847 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.421 -6.143 7.038 1.00 0.00 H new ATOM 1295 N THR A 85 -15.512 -4.981 2.687 1.00 0.00 N ATOM 1296 CA THR A 85 -15.169 -4.820 1.285 1.00 0.00 C ATOM 1297 C THR A 85 -13.708 -5.209 1.046 1.00 0.00 C ATOM 1298 O THR A 85 -12.838 -4.896 1.857 1.00 0.00 O ATOM 1299 CB THR A 85 -15.487 -3.379 0.881 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.878 -3.405 0.571 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.819 -2.978 -0.435 1.00 0.00 C ATOM 0 H THR A 85 -14.804 -4.646 3.341 1.00 0.00 H new ATOM 0 HA THR A 85 -15.759 -5.486 0.655 1.00 0.00 H new ATOM 0 HB THR A 85 -15.165 -2.701 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.398 -3.395 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.078 -1.947 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.737 -3.067 -0.336 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.165 -3.634 -1.234 1.00 0.00 H new ATOM 1309 N THR A 86 -13.484 -5.886 -0.071 1.00 0.00 N ATOM 1310 CA THR A 86 -12.144 -6.321 -0.427 1.00 0.00 C ATOM 1311 C THR A 86 -11.346 -5.158 -1.020 1.00 0.00 C ATOM 1312 O THR A 86 -11.843 -4.437 -1.884 1.00 0.00 O ATOM 1313 CB THR A 86 -12.271 -7.516 -1.373 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.976 -8.491 -0.609 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.922 -8.177 -1.667 1.00 0.00 C ATOM 0 H THR A 86 -14.208 -6.144 -0.741 1.00 0.00 H new ATOM 0 HA THR A 86 -11.585 -6.642 0.452 1.00 0.00 H new ATOM 0 HB THR A 86 -12.727 -7.191 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.103 -9.299 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.069 -9.019 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.255 -7.451 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.480 -8.532 -0.736 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.123 -5.012 -0.532 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.251 -3.950 -1.003 1.00 0.00 C ATOM 1325 C TYR A 87 -7.835 -4.472 -1.252 1.00 0.00 C ATOM 1326 O TYR A 87 -7.437 -5.490 -0.687 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.209 -2.911 0.119 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.370 -1.915 0.090 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -10.289 -0.784 -0.697 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.498 -2.147 0.851 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -11.382 0.153 -0.725 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.590 -1.210 0.823 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.479 -0.106 0.036 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.511 0.780 0.010 1.00 0.00 O ATOM 0 H TYR A 87 -9.715 -5.612 0.185 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.621 -3.538 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.211 -3.428 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.270 -2.361 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.406 -0.602 -1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.561 -3.032 1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.332 1.042 -1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.478 -1.380 1.414 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.543 1.219 -0.866 1.00 0.00 H new ATOM 1344 N THR A 88 -7.114 -3.752 -2.099 1.00 0.00 N ATOM 1345 CA THR A 88 -5.750 -4.130 -2.430 1.00 0.00 C ATOM 1346 C THR A 88 -4.799 -2.955 -2.194 1.00 0.00 C ATOM 1347 O THR A 88 -4.920 -1.915 -2.839 1.00 0.00 O ATOM 1348 CB THR A 88 -5.738 -4.642 -3.871 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.941 -6.046 -3.743 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.359 -4.523 -4.524 1.00 0.00 C ATOM 0 H THR A 88 -7.448 -2.909 -2.566 1.00 0.00 H new ATOM 0 HA THR A 88 -5.393 -4.931 -1.783 1.00 0.00 H new ATOM 0 HB THR A 88 -6.467 -4.085 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.949 -6.458 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.406 -4.900 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.052 -3.477 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.635 -5.107 -3.955 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.874 -3.161 -1.268 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.902 -2.132 -0.939 1.00 0.00 C ATOM 1360 C ILE A 89 -1.607 -2.394 -1.710 1.00 0.00 C ATOM 1361 O ILE A 89 -0.936 -3.399 -1.480 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.708 -2.043 0.576 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.032 -2.262 1.312 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.047 -0.720 0.967 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.107 -1.297 0.806 1.00 0.00 C ATOM 0 H ILE A 89 -3.777 -4.025 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.265 -1.152 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.033 -2.843 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.365 -3.290 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.885 -2.119 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.921 -0.682 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.072 -0.644 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.676 0.110 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.038 -1.474 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.781 -0.270 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.269 -1.459 -0.260 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.295 -1.473 -2.610 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.092 -1.592 -3.416 1.00 0.00 C ATOM 1379 C GLU A 90 1.023 -0.718 -2.839 1.00 0.00 C ATOM 1380 O GLU A 90 0.909 0.506 -2.818 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.372 -1.230 -4.876 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.659 -1.895 -5.369 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.700 -0.847 -5.767 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.273 0.213 -6.273 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.899 -1.131 -5.557 1.00 0.00 O ATOM 0 H GLU A 90 -1.854 -0.641 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 90 0.237 -2.631 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.456 -0.148 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.465 -1.544 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.438 -2.535 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.064 -2.536 -4.586 1.00 0.00 H new ATOM 1392 N VAL A 91 2.076 -1.382 -2.384 1.00 0.00 N ATOM 1393 CA VAL A 91 3.211 -0.680 -1.808 1.00 0.00 C ATOM 1394 C VAL A 91 4.412 -0.805 -2.746 1.00 0.00 C ATOM 1395 O VAL A 91 4.877 -1.910 -3.023 1.00 0.00 O ATOM 1396 CB VAL A 91 3.494 -1.211 -0.400 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.714 -0.519 0.211 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.267 -1.056 0.501 1.00 0.00 C ATOM 0 H VAL A 91 2.167 -2.398 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 91 2.990 0.382 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 91 3.718 -2.275 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.894 -0.914 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.588 -0.703 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.531 0.554 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.495 -1.441 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.999 -0.002 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.432 -1.615 0.078 1.00 0.00 H new ATOM 1408 N ALA A 92 4.882 0.343 -3.211 1.00 0.00 N ATOM 1409 CA ALA A 92 6.020 0.377 -4.113 1.00 0.00 C ATOM 1410 C ALA A 92 7.132 1.226 -3.494 1.00 0.00 C ATOM 1411 O ALA A 92 6.865 2.094 -2.664 1.00 0.00 O ATOM 1412 CB ALA A 92 5.575 0.904 -5.478 1.00 0.00 C ATOM 0 H ALA A 92 4.495 1.258 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 92 6.418 -0.626 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.429 0.929 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.807 0.249 -5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.171 1.910 -5.366 1.00 0.00 H new ATOM 1418 N ALA A 93 8.354 0.946 -3.920 1.00 0.00 N ATOM 1419 CA ALA A 93 9.507 1.674 -3.418 1.00 0.00 C ATOM 1420 C ALA A 93 9.807 2.852 -4.348 1.00 0.00 C ATOM 1421 O ALA A 93 9.267 2.929 -5.451 1.00 0.00 O ATOM 1422 CB ALA A 93 10.695 0.720 -3.285 1.00 0.00 C ATOM 0 H ALA A 93 8.571 0.225 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 93 9.302 2.080 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.560 1.266 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.442 -0.082 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.931 0.295 -4.260 1.00 0.00 H new ATOM 1428 N MET A 94 10.666 3.739 -3.869 1.00 0.00 N ATOM 1429 CA MET A 94 11.043 4.909 -4.644 1.00 0.00 C ATOM 1430 C MET A 94 12.541 5.194 -4.511 1.00 0.00 C ATOM 1431 O MET A 94 13.070 5.249 -3.402 1.00 0.00 O ATOM 1432 CB MET A 94 10.247 6.122 -4.158 1.00 0.00 C ATOM 1433 CG MET A 94 8.743 5.889 -4.316 1.00 0.00 C ATOM 1434 SD MET A 94 7.837 7.256 -3.610 1.00 0.00 S ATOM 1435 CE MET A 94 7.310 8.082 -5.103 1.00 0.00 C ATOM 0 H MET A 94 11.112 3.671 -2.954 1.00 0.00 H new ATOM 0 HA MET A 94 10.820 4.715 -5.693 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.480 6.319 -3.112 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.543 7.006 -4.723 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.492 5.782 -5.371 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.457 4.959 -3.824 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.066 9.120 -4.878 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.113 8.050 -5.840 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.429 7.581 -5.504 1.00 0.00 H new ATOM 1445 N THR A 95 13.181 5.369 -5.658 1.00 0.00 N ATOM 1446 CA THR A 95 14.607 5.647 -5.684 1.00 0.00 C ATOM 1447 C THR A 95 14.878 6.974 -6.396 1.00 0.00 C ATOM 1448 O THR A 95 13.964 7.771 -6.602 1.00 0.00 O ATOM 1449 CB THR A 95 15.310 4.454 -6.335 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.327 3.906 -7.209 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.593 3.327 -5.339 1.00 0.00 C ATOM 0 H THR A 95 12.738 5.324 -6.576 1.00 0.00 H new ATOM 0 HA THR A 95 15.005 5.767 -4.676 1.00 0.00 H new ATOM 0 HB THR A 95 16.246 4.785 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.866 4.632 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.093 2.505 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.234 3.700 -4.540 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.654 2.972 -4.914 1.00 0.00 H new ATOM 1459 N SER A 96 16.139 7.171 -6.752 1.00 0.00 N ATOM 1460 CA SER A 96 16.542 8.387 -7.437 1.00 0.00 C ATOM 1461 C SER A 96 15.949 8.416 -8.847 1.00 0.00 C ATOM 1462 O SER A 96 15.422 9.439 -9.282 1.00 0.00 O ATOM 1463 CB SER A 96 18.067 8.504 -7.500 1.00 0.00 C ATOM 1464 OG SER A 96 18.525 8.797 -8.817 1.00 0.00 O ATOM 0 H SER A 96 16.895 6.509 -6.579 1.00 0.00 H new ATOM 0 HA SER A 96 16.162 9.239 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.399 9.287 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.517 7.572 -7.159 1.00 0.00 H new ATOM 0 HG SER A 96 19.503 8.866 -8.816 1.00 0.00 H new ATOM 1470 N LYS A 97 16.054 7.281 -9.521 1.00 0.00 N ATOM 1471 CA LYS A 97 15.535 7.163 -10.873 1.00 0.00 C ATOM 1472 C LYS A 97 14.014 7.332 -10.847 1.00 0.00 C ATOM 1473 O LYS A 97 13.466 8.162 -11.570 1.00 0.00 O ATOM 1474 CB LYS A 97 15.997 5.852 -11.513 1.00 0.00 C ATOM 1475 CG LYS A 97 16.252 4.783 -10.448 1.00 0.00 C ATOM 1476 CD LYS A 97 17.727 4.753 -10.044 1.00 0.00 C ATOM 1477 CE LYS A 97 17.879 4.526 -8.538 1.00 0.00 C ATOM 1478 NZ LYS A 97 19.256 4.090 -8.215 1.00 0.00 N ATOM 0 H LYS A 97 16.491 6.434 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 97 15.934 7.957 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.241 5.499 -12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.908 6.024 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.635 4.983 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.956 3.806 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.241 3.961 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.203 5.693 -10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.647 5.446 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.165 3.773 -8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.341 3.941 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.464 3.201 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.931 4.822 -8.516 1.00 0.00 H new ATOM 1492 N GLY A 98 13.376 6.531 -10.006 1.00 0.00 N ATOM 1493 CA GLY A 98 11.930 6.581 -9.877 1.00 0.00 C ATOM 1494 C GLY A 98 11.418 5.439 -8.996 1.00 0.00 C ATOM 1495 O GLY A 98 12.154 4.919 -8.159 1.00 0.00 O ATOM 0 H GLY A 98 13.834 5.844 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.633 7.538 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.471 6.518 -10.864 1.00 0.00 H new ATOM 1499 N GLN A 99 10.161 5.084 -9.215 1.00 0.00 N ATOM 1500 CA GLN A 99 9.542 4.013 -8.451 1.00 0.00 C ATOM 1501 C GLN A 99 9.774 2.667 -9.141 1.00 0.00 C ATOM 1502 O GLN A 99 9.817 2.593 -10.368 1.00 0.00 O ATOM 1503 CB GLN A 99 8.049 4.276 -8.249 1.00 0.00 C ATOM 1504 CG GLN A 99 7.416 3.197 -7.368 1.00 0.00 C ATOM 1505 CD GLN A 99 6.016 2.833 -7.866 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.122 3.659 -7.941 1.00 0.00 O ATOM 1507 NE2 GLN A 99 5.877 1.554 -8.202 1.00 0.00 N ATOM 0 H GLN A 99 9.554 5.518 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 99 10.007 3.979 -7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.907 5.254 -7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.547 4.302 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.047 2.308 -7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.359 3.551 -6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.667 0.915 -8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.980 1.212 -8.547 1.00 0.00 H new ATOM 1516 N GLY A 100 9.917 1.636 -8.321 1.00 0.00 N ATOM 1517 CA GLY A 100 10.144 0.296 -8.837 1.00 0.00 C ATOM 1518 C GLY A 100 8.872 -0.549 -8.743 1.00 0.00 C ATOM 1519 O GLY A 100 7.764 -0.016 -8.774 1.00 0.00 O ATOM 0 H GLY A 100 9.880 1.701 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.472 0.353 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.946 -0.183 -8.275 1.00 0.00 H new ATOM 1523 N GLN A 101 9.074 -1.854 -8.630 1.00 0.00 N ATOM 1524 CA GLN A 101 7.958 -2.779 -8.532 1.00 0.00 C ATOM 1525 C GLN A 101 6.980 -2.317 -7.449 1.00 0.00 C ATOM 1526 O GLN A 101 7.198 -1.290 -6.809 1.00 0.00 O ATOM 1527 CB GLN A 101 8.447 -4.202 -8.258 1.00 0.00 C ATOM 1528 CG GLN A 101 7.729 -5.211 -9.156 1.00 0.00 C ATOM 1529 CD GLN A 101 8.732 -6.033 -9.968 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.923 -6.040 -9.708 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.184 -6.724 -10.964 1.00 0.00 N ATOM 0 H GLN A 101 9.995 -2.292 -8.604 1.00 0.00 H new ATOM 0 HA GLN A 101 7.434 -2.788 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.522 -4.260 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.275 -4.454 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.118 -5.876 -8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.053 -4.686 -9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.178 -6.673 -11.127 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.769 -7.304 -11.565 1.00 0.00 H new ATOM 1540 N VAL A 102 5.924 -3.098 -7.278 1.00 0.00 N ATOM 1541 CA VAL A 102 4.913 -2.783 -6.284 1.00 0.00 C ATOM 1542 C VAL A 102 4.373 -4.081 -5.681 1.00 0.00 C ATOM 1543 O VAL A 102 4.312 -5.106 -6.359 1.00 0.00 O ATOM 1544 CB VAL A 102 3.819 -1.913 -6.908 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.659 -2.772 -7.416 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.326 -0.857 -5.917 1.00 0.00 C ATOM 0 H VAL A 102 5.747 -3.949 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 102 5.347 -2.203 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 102 4.251 -1.394 -7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.895 -2.130 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.025 -3.468 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.229 -3.331 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.549 -0.253 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.919 -1.349 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.158 -0.216 -5.625 1.00 0.00 H new ATOM 1556 N SER A 103 3.995 -3.996 -4.414 1.00 0.00 N ATOM 1557 CA SER A 103 3.463 -5.152 -3.713 1.00 0.00 C ATOM 1558 C SER A 103 2.009 -4.895 -3.309 1.00 0.00 C ATOM 1559 O SER A 103 1.747 -4.175 -2.347 1.00 0.00 O ATOM 1560 CB SER A 103 4.305 -5.484 -2.480 1.00 0.00 C ATOM 1561 OG SER A 103 5.398 -6.342 -2.796 1.00 0.00 O ATOM 0 H SER A 103 4.047 -3.144 -3.855 1.00 0.00 H new ATOM 0 HA SER A 103 3.501 -6.008 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.684 -4.561 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.675 -5.960 -1.728 1.00 0.00 H new ATOM 0 HG SER A 103 5.912 -6.529 -1.983 1.00 0.00 H new ATOM 1567 N ALA A 104 1.103 -5.498 -4.065 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.316 -5.344 -3.798 1.00 0.00 C ATOM 1569 C ALA A 104 -0.784 -6.473 -2.877 1.00 0.00 C ATOM 1570 O ALA A 104 -0.577 -7.648 -3.176 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.085 -5.314 -5.120 1.00 0.00 C ATOM 0 H ALA A 104 1.325 -6.094 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.509 -4.401 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.150 -5.198 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.737 -4.476 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.917 -6.246 -5.660 1.00 0.00 H new ATOM 1577 N SER A 105 -1.405 -6.077 -1.776 1.00 0.00 N ATOM 1578 CA SER A 105 -1.903 -7.042 -0.810 1.00 0.00 C ATOM 1579 C SER A 105 -3.428 -6.951 -0.719 1.00 0.00 C ATOM 1580 O SER A 105 -3.975 -5.882 -0.451 1.00 0.00 O ATOM 1581 CB SER A 105 -1.275 -6.817 0.567 1.00 0.00 C ATOM 1582 OG SER A 105 -0.970 -5.445 0.797 1.00 0.00 O ATOM 0 H SER A 105 -1.575 -5.101 -1.531 1.00 0.00 H new ATOM 0 HA SER A 105 -1.624 -8.040 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.958 -7.171 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.364 -7.410 0.651 1.00 0.00 H new ATOM 0 HG SER A 105 -1.254 -5.194 1.701 1.00 0.00 H new ATOM 1588 N THR A 106 -4.071 -8.087 -0.945 1.00 0.00 N ATOM 1589 CA THR A 106 -5.522 -8.149 -0.892 1.00 0.00 C ATOM 1590 C THR A 106 -5.997 -8.288 0.556 1.00 0.00 C ATOM 1591 O THR A 106 -5.571 -9.196 1.268 1.00 0.00 O ATOM 1592 CB THR A 106 -5.980 -9.296 -1.794 1.00 0.00 C ATOM 1593 OG1 THR A 106 -4.928 -9.430 -2.747 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.201 -8.926 -2.638 1.00 0.00 C ATOM 0 H THR A 106 -3.614 -8.972 -1.165 1.00 0.00 H new ATOM 0 HA THR A 106 -5.971 -7.227 -1.262 1.00 0.00 H new ATOM 0 HB THR A 106 -6.212 -10.168 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.142 -10.154 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.484 -9.775 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.031 -8.664 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.959 -8.075 -3.275 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.872 -7.374 0.949 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.409 -7.384 2.299 1.00 0.00 C ATOM 1604 C ILE A 107 -8.825 -6.804 2.284 1.00 0.00 C ATOM 1605 O ILE A 107 -9.091 -5.824 1.590 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.460 -6.663 3.258 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -7.118 -6.450 4.623 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -5.959 -5.351 2.652 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -7.143 -7.750 5.429 1.00 0.00 C ATOM 0 H ILE A 107 -7.222 -6.622 0.356 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.486 -8.406 2.671 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.588 -7.297 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.574 -5.685 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.135 -6.083 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.286 -4.859 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.426 -5.559 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.807 -4.699 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.616 -7.570 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.708 -8.506 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -6.123 -8.101 5.584 1.00 0.00 H new ATOM 1621 N SER A 108 -9.696 -7.435 3.057 1.00 0.00 N ATOM 1622 CA SER A 108 -11.078 -6.994 3.142 1.00 0.00 C ATOM 1623 C SER A 108 -11.354 -6.398 4.524 1.00 0.00 C ATOM 1624 O SER A 108 -11.115 -7.045 5.542 1.00 0.00 O ATOM 1625 CB SER A 108 -12.043 -8.148 2.860 1.00 0.00 C ATOM 1626 OG SER A 108 -13.403 -7.723 2.874 1.00 0.00 O ATOM 0 H SER A 108 -9.472 -8.248 3.630 1.00 0.00 H new ATOM 0 HA SER A 108 -11.239 -6.227 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.810 -8.586 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.900 -8.930 3.605 1.00 0.00 H new ATOM 0 HG SER A 108 -13.987 -8.488 2.688 1.00 0.00 H new ATOM 1632 N SER A 109 -11.853 -5.171 4.514 1.00 0.00 N ATOM 1633 CA SER A 109 -12.164 -4.480 5.754 1.00 0.00 C ATOM 1634 C SER A 109 -12.730 -5.468 6.776 1.00 0.00 C ATOM 1635 O SER A 109 -13.441 -6.404 6.412 1.00 0.00 O ATOM 1636 CB SER A 109 -13.154 -3.338 5.515 1.00 0.00 C ATOM 1637 OG SER A 109 -14.318 -3.777 4.821 1.00 0.00 O ATOM 0 H SER A 109 -12.050 -4.637 3.667 1.00 0.00 H new ATOM 0 HA SER A 109 -11.242 -4.050 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.445 -2.904 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.666 -2.549 4.942 1.00 0.00 H new ATOM 0 HG SER A 109 -14.711 -3.024 4.333 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.394 -5.227 8.035 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.860 -6.083 9.112 1.00 0.00 C ATOM 1645 C GLY A 110 -14.387 -6.069 9.202 1.00 0.00 C ATOM 1646 O GLY A 110 -15.055 -6.924 8.622 1.00 0.00 O ATOM 0 H GLY A 110 -11.804 -4.450 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.511 -7.103 8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.433 -5.749 10.058 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.895 -5.088 9.934 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.331 -4.951 10.108 1.00 0.00 C ATOM 1652 C VAL A 111 -16.623 -3.700 10.939 1.00 0.00 C ATOM 1653 O VAL A 111 -15.889 -3.388 11.875 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.908 -6.227 10.725 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -16.233 -6.542 12.062 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.425 -6.119 10.888 1.00 0.00 C ATOM 0 H VAL A 111 -14.338 -4.381 10.413 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.822 -4.822 9.143 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.703 -7.052 10.043 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.661 -7.453 12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.163 -6.682 11.906 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.393 -5.715 12.754 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.810 -7.039 11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.662 -5.278 11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.886 -5.963 9.912 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.724 -2.999 10.556 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.121 -1.789 11.255 1.00 0.00 C ATOM 1668 C PRO A 112 -18.760 -2.121 12.605 1.00 0.00 C ATOM 1669 O PRO A 112 -19.701 -2.910 12.674 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.074 -1.081 10.306 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.536 -2.137 9.315 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.616 -3.339 9.451 1.00 0.00 C ATOM 0 HA PRO A 112 -17.274 -1.148 11.500 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.920 -0.656 10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.576 -0.257 9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.569 -2.422 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.505 -1.746 8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.180 -4.248 9.662 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.058 -3.517 8.532 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.208 -1.485 13.674 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.713 -1.705 15.018 1.00 0.00 C ATOM 1682 C PRO A 113 -20.043 -0.979 15.229 1.00 0.00 C ATOM 1683 O PRO A 113 -20.195 -0.221 16.186 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.611 -1.206 15.939 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.733 -0.304 15.087 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.092 -0.544 13.630 1.00 0.00 C ATOM 0 HA PRO A 113 -18.936 -2.753 15.217 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.027 -0.660 16.786 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.037 -2.038 16.347 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.890 0.742 15.351 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.679 -0.522 15.261 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.376 0.384 13.134 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.248 -0.956 13.077 1.00 0.00 H new ATOM 1694 N SER A 114 -20.972 -1.236 14.320 1.00 0.00 N ATOM 1695 CA SER A 114 -22.284 -0.616 14.395 1.00 0.00 C ATOM 1696 C SER A 114 -23.237 -1.504 15.198 1.00 0.00 C ATOM 1697 O SER A 114 -23.839 -2.427 14.653 1.00 0.00 O ATOM 1698 CB SER A 114 -22.851 -0.357 12.998 1.00 0.00 C ATOM 1699 OG SER A 114 -23.862 0.648 13.010 1.00 0.00 O ATOM 0 H SER A 114 -20.842 -1.865 13.528 1.00 0.00 H new ATOM 0 HA SER A 114 -22.180 0.345 14.900 1.00 0.00 H new ATOM 0 HB2 SER A 114 -22.045 -0.053 12.330 1.00 0.00 H new ATOM 0 HB3 SER A 114 -23.264 -1.282 12.597 1.00 0.00 H new ATOM 0 HG SER A 114 -24.197 0.785 12.100 1.00 0.00 H new ATOM 1705 N GLY A 115 -23.344 -1.192 16.482 1.00 0.00 N ATOM 1706 CA GLY A 115 -24.213 -1.950 17.365 1.00 0.00 C ATOM 1707 C GLY A 115 -23.400 -2.873 18.275 1.00 0.00 C ATOM 1708 O GLY A 115 -22.888 -3.898 17.828 1.00 0.00 O ATOM 0 H GLY A 115 -22.843 -0.425 16.931 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -24.807 -1.266 17.972 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -24.913 -2.541 16.773 1.00 0.00 H new ATOM 1712 N PRO A 116 -23.304 -2.465 19.569 1.00 0.00 N ATOM 1713 CA PRO A 116 -22.562 -3.244 20.546 1.00 0.00 C ATOM 1714 C PRO A 116 -23.344 -4.492 20.961 1.00 0.00 C ATOM 1715 O PRO A 116 -24.355 -4.394 21.655 1.00 0.00 O ATOM 1716 CB PRO A 116 -22.311 -2.289 21.702 1.00 0.00 C ATOM 1717 CG PRO A 116 -23.316 -1.160 21.535 1.00 0.00 C ATOM 1718 CD PRO A 116 -23.898 -1.257 20.135 1.00 0.00 C ATOM 0 HA PRO A 116 -21.621 -3.627 20.151 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -22.444 -2.792 22.660 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -21.290 -1.909 21.680 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -24.105 -1.238 22.283 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -22.833 -0.194 21.681 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -24.985 -1.326 20.162 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -23.649 -0.378 19.541 1.00 0.00 H new ATOM 1726 N SER A 117 -22.846 -5.637 20.518 1.00 0.00 N ATOM 1727 CA SER A 117 -23.486 -6.903 20.835 1.00 0.00 C ATOM 1728 C SER A 117 -22.537 -8.061 20.520 1.00 0.00 C ATOM 1729 O SER A 117 -21.723 -7.970 19.603 1.00 0.00 O ATOM 1730 CB SER A 117 -24.797 -7.066 20.063 1.00 0.00 C ATOM 1731 OG SER A 117 -25.907 -7.264 20.933 1.00 0.00 O ATOM 0 H SER A 117 -22.007 -5.715 19.943 1.00 0.00 H new ATOM 0 HA SER A 117 -23.720 -6.912 21.900 1.00 0.00 H new ATOM 0 HB2 SER A 117 -24.970 -6.181 19.451 1.00 0.00 H new ATOM 0 HB3 SER A 117 -24.714 -7.913 19.382 1.00 0.00 H new ATOM 0 HG SER A 117 -26.725 -7.362 20.402 1.00 0.00 H new ATOM 1737 N SER A 118 -22.673 -9.124 21.300 1.00 0.00 N ATOM 1738 CA SER A 118 -21.838 -10.299 21.116 1.00 0.00 C ATOM 1739 C SER A 118 -22.212 -11.008 19.812 1.00 0.00 C ATOM 1740 O SER A 118 -23.372 -10.992 19.403 1.00 0.00 O ATOM 1741 CB SER A 118 -21.971 -11.260 22.299 1.00 0.00 C ATOM 1742 OG SER A 118 -23.332 -11.568 22.586 1.00 0.00 O ATOM 0 H SER A 118 -23.349 -9.196 22.061 1.00 0.00 H new ATOM 0 HA SER A 118 -20.799 -9.975 21.061 1.00 0.00 H new ATOM 0 HB2 SER A 118 -21.429 -12.180 22.081 1.00 0.00 H new ATOM 0 HB3 SER A 118 -21.506 -10.817 23.180 1.00 0.00 H new ATOM 0 HG SER A 118 -23.374 -12.185 23.346 1.00 0.00 H new ATOM 1748 N GLY A 119 -21.207 -11.613 19.196 1.00 0.00 N ATOM 1749 CA GLY A 119 -21.415 -12.327 17.948 1.00 0.00 C ATOM 1750 C GLY A 119 -20.092 -12.854 17.390 1.00 0.00 C ATOM 1751 O GLY A 119 -19.034 -12.632 17.977 1.00 0.00 O ATOM 0 H GLY A 119 -20.246 -11.623 19.538 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -22.102 -13.158 18.110 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -21.883 -11.665 17.220 1.00 0.00 H new TER 1755 GLY A 119