USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 869 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 54 TYR OH : rot -30:sc= 0.0309 USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.56 K(o=-1.5,f=-2.2!) USER MOD Set 2.1: A 22 THR OG1 : rot -160:sc= -0.46 USER MOD Set 2.2: A 39 GLN : amide:sc= 0 X(o=-0.46,f=-0.64) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0267 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 20 THR OG1 : rot -179:sc= -0.95 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.465 USER MOD Single : A 37 SER OG : rot 41:sc= 0.532 USER MOD Single : A 43 CYS SG : rot 87:sc= -0.415 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 51 SER OG : rot -85:sc= 0.72 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.334 F(o=-0.97,f=-0.33) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.579 F(o=-3.3!,f=-0.58) USER MOD Single : A 66 ASN : amide:sc= 0.198 K(o=0.2,f=-3!) USER MOD Single : A 69 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.124 F(o=-1.9!,f=-0.12) USER MOD Single : A 84 HIS : no HE2:sc= -0.977 K(o=-0.98,f=-9.7!) USER MOD Single : A 85 SER OG : rot -170:sc= -0.195 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.727 USER MOD Single : A 93 GLN :FLIP amide:sc= -7.21! C(o=-8.2!,f=-7.2!) USER MOD Single : A 94 SER OG : rot 157:sc= -0.171 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.882 -11.422 2.933 1.00 0.00 N ATOM 2 CA GLY A 1 16.674 -11.849 4.304 1.00 0.00 C ATOM 3 C GLY A 1 17.346 -10.932 5.306 1.00 0.00 C ATOM 4 O GLY A 1 18.547 -10.679 5.218 1.00 0.00 O ATOM 0 H1 GLY A 1 16.403 -12.082 2.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.492 -10.467 2.804 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.901 -11.411 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.605 -11.887 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.058 -12.861 4.428 1.00 0.00 H new ATOM 8 N SER A 2 16.569 -10.430 6.261 1.00 0.00 N ATOM 9 CA SER A 2 17.095 -9.530 7.280 1.00 0.00 C ATOM 10 C SER A 2 16.416 -9.775 8.624 1.00 0.00 C ATOM 11 O SER A 2 15.190 -9.735 8.728 1.00 0.00 O ATOM 12 CB SER A 2 16.901 -8.074 6.855 1.00 0.00 C ATOM 13 OG SER A 2 17.659 -7.775 5.696 1.00 0.00 O ATOM 0 H SER A 2 15.573 -10.632 6.350 1.00 0.00 H new ATOM 0 HA SER A 2 18.161 -9.729 7.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.845 -7.886 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.198 -7.412 7.668 1.00 0.00 H new ATOM 0 HG SER A 2 17.516 -6.839 5.444 1.00 0.00 H new ATOM 19 N SER A 3 17.221 -10.029 9.650 1.00 0.00 N ATOM 20 CA SER A 3 16.699 -10.285 10.987 1.00 0.00 C ATOM 21 C SER A 3 15.609 -9.279 11.346 1.00 0.00 C ATOM 22 O SER A 3 14.555 -9.648 11.864 1.00 0.00 O ATOM 23 CB SER A 3 17.827 -10.221 12.019 1.00 0.00 C ATOM 24 OG SER A 3 18.444 -8.945 12.022 1.00 0.00 O ATOM 0 H SER A 3 18.238 -10.063 9.581 1.00 0.00 H new ATOM 0 HA SER A 3 16.265 -11.285 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.430 -10.439 13.010 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.570 -10.987 11.798 1.00 0.00 H new ATOM 0 HG SER A 3 19.160 -8.929 12.691 1.00 0.00 H new ATOM 30 N GLY A 4 15.870 -8.006 11.065 1.00 0.00 N ATOM 31 CA GLY A 4 14.903 -6.967 11.364 1.00 0.00 C ATOM 32 C GLY A 4 15.544 -5.738 11.978 1.00 0.00 C ATOM 33 O GLY A 4 15.394 -5.482 13.172 1.00 0.00 O ATOM 0 H GLY A 4 16.734 -7.676 10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.384 -6.683 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.151 -7.361 12.048 1.00 0.00 H new ATOM 37 N SER A 5 16.262 -4.976 11.159 1.00 0.00 N ATOM 38 CA SER A 5 16.933 -3.770 11.629 1.00 0.00 C ATOM 39 C SER A 5 16.384 -2.532 10.925 1.00 0.00 C ATOM 40 O SER A 5 16.913 -2.101 9.901 1.00 0.00 O ATOM 41 CB SER A 5 18.442 -3.875 11.396 1.00 0.00 C ATOM 42 OG SER A 5 19.134 -2.825 12.048 1.00 0.00 O ATOM 0 H SER A 5 16.394 -5.173 10.167 1.00 0.00 H new ATOM 0 HA SER A 5 16.743 -3.673 12.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.804 -4.836 11.763 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.651 -3.843 10.327 1.00 0.00 H new ATOM 0 HG SER A 5 20.096 -2.916 11.885 1.00 0.00 H new ATOM 48 N SER A 6 15.318 -1.966 11.483 1.00 0.00 N ATOM 49 CA SER A 6 14.693 -0.781 10.908 1.00 0.00 C ATOM 50 C SER A 6 14.529 0.311 11.960 1.00 0.00 C ATOM 51 O SER A 6 13.620 0.260 12.787 1.00 0.00 O ATOM 52 CB SER A 6 13.331 -1.137 10.308 1.00 0.00 C ATOM 53 OG SER A 6 13.459 -1.535 8.954 1.00 0.00 O ATOM 0 H SER A 6 14.870 -2.309 12.332 1.00 0.00 H new ATOM 0 HA SER A 6 15.343 -0.405 10.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.875 -1.941 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.664 -0.278 10.376 1.00 0.00 H new ATOM 0 HG SER A 6 12.575 -1.759 8.594 1.00 0.00 H new ATOM 59 N GLY A 7 15.417 1.300 11.921 1.00 0.00 N ATOM 60 CA GLY A 7 15.354 2.391 12.876 1.00 0.00 C ATOM 61 C GLY A 7 16.350 3.491 12.566 1.00 0.00 C ATOM 62 O GLY A 7 17.027 3.996 13.461 1.00 0.00 O ATOM 0 H GLY A 7 16.178 1.365 11.245 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.347 2.808 12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.544 2.005 13.877 1.00 0.00 H new ATOM 66 N SER A 8 16.441 3.863 11.293 1.00 0.00 N ATOM 67 CA SER A 8 17.365 4.907 10.865 1.00 0.00 C ATOM 68 C SER A 8 16.609 6.159 10.434 1.00 0.00 C ATOM 69 O SER A 8 15.998 6.192 9.365 1.00 0.00 O ATOM 70 CB SER A 8 18.239 4.403 9.715 1.00 0.00 C ATOM 71 OG SER A 8 19.231 3.506 10.183 1.00 0.00 O ATOM 0 H SER A 8 15.886 3.457 10.540 1.00 0.00 H new ATOM 0 HA SER A 8 18.002 5.163 11.711 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.616 3.905 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.714 5.249 9.218 1.00 0.00 H new ATOM 0 HG SER A 8 19.775 3.197 9.429 1.00 0.00 H new ATOM 77 N HIS A 9 16.654 7.189 11.274 1.00 0.00 N ATOM 78 CA HIS A 9 15.973 8.445 10.980 1.00 0.00 C ATOM 79 C HIS A 9 16.933 9.448 10.348 1.00 0.00 C ATOM 80 O HIS A 9 18.146 9.236 10.332 1.00 0.00 O ATOM 81 CB HIS A 9 15.369 9.033 12.256 1.00 0.00 C ATOM 82 CG HIS A 9 14.705 8.013 13.129 1.00 0.00 C ATOM 83 ND1 HIS A 9 13.626 7.259 12.719 1.00 0.00 N ATOM 84 CD2 HIS A 9 14.975 7.622 14.397 1.00 0.00 C ATOM 85 CE1 HIS A 9 13.259 6.451 13.698 1.00 0.00 C ATOM 86 NE2 HIS A 9 14.062 6.651 14.727 1.00 0.00 N ATOM 0 H HIS A 9 17.154 7.178 12.163 1.00 0.00 H new ATOM 0 HA HIS A 9 15.172 8.238 10.270 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.155 9.530 12.825 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.640 9.797 11.985 1.00 0.00 H new ATOM 0 HD2 HIS A 9 15.762 8.003 15.031 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.441 5.747 13.663 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.012 6.163 15.622 1.00 0.00 H new ATOM 94 N ASP A 10 16.383 10.540 9.829 1.00 0.00 N ATOM 95 CA ASP A 10 17.191 11.577 9.197 1.00 0.00 C ATOM 96 C ASP A 10 16.378 12.851 8.994 1.00 0.00 C ATOM 97 O ASP A 10 15.159 12.856 9.166 1.00 0.00 O ATOM 98 CB ASP A 10 17.732 11.083 7.854 1.00 0.00 C ATOM 99 CG ASP A 10 18.885 10.112 8.016 1.00 0.00 C ATOM 100 OD1 ASP A 10 19.806 10.411 8.805 1.00 0.00 O ATOM 101 OD2 ASP A 10 18.866 9.053 7.354 1.00 0.00 O ATOM 0 H ASP A 10 15.381 10.730 9.833 1.00 0.00 H new ATOM 0 HA ASP A 10 18.029 11.804 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.929 10.599 7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.061 11.937 7.262 1.00 0.00 H new ATOM 106 N SER A 11 17.061 13.931 8.629 1.00 0.00 N ATOM 107 CA SER A 11 16.403 15.214 8.407 1.00 0.00 C ATOM 108 C SER A 11 16.504 15.630 6.943 1.00 0.00 C ATOM 109 O SER A 11 15.491 15.841 6.275 1.00 0.00 O ATOM 110 CB SER A 11 17.023 16.290 9.300 1.00 0.00 C ATOM 111 OG SER A 11 16.479 17.567 9.012 1.00 0.00 O ATOM 0 H SER A 11 18.070 13.944 8.481 1.00 0.00 H new ATOM 0 HA SER A 11 15.349 15.103 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.847 16.044 10.347 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.103 16.310 9.154 1.00 0.00 H new ATOM 0 HG SER A 11 16.890 18.237 9.597 1.00 0.00 H new ATOM 117 N ARG A 12 17.733 15.747 6.451 1.00 0.00 N ATOM 118 CA ARG A 12 17.967 16.139 5.067 1.00 0.00 C ATOM 119 C ARG A 12 17.593 15.011 4.110 1.00 0.00 C ATOM 120 O ARG A 12 18.414 14.147 3.800 1.00 0.00 O ATOM 121 CB ARG A 12 19.433 16.527 4.866 1.00 0.00 C ATOM 122 CG ARG A 12 19.749 17.954 5.283 1.00 0.00 C ATOM 123 CD ARG A 12 20.966 18.493 4.548 1.00 0.00 C ATOM 124 NE ARG A 12 22.210 17.922 5.056 1.00 0.00 N ATOM 125 CZ ARG A 12 23.354 17.933 4.380 1.00 0.00 C ATOM 126 NH1 ARG A 12 23.410 18.482 3.175 1.00 0.00 N ATOM 127 NH2 ARG A 12 24.444 17.393 4.910 1.00 0.00 N ATOM 0 H ARG A 12 18.582 15.576 6.990 1.00 0.00 H new ATOM 0 HA ARG A 12 17.336 17.001 4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.062 15.843 5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.693 16.399 3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 12 18.889 18.592 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.927 17.989 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 12 20.874 18.273 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.998 19.578 4.647 1.00 0.00 H new ATOM 0 HE ARG A 12 22.200 17.491 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 12 22.574 18.897 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 12 24.289 18.489 2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 12 24.404 16.969 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 12 25.322 17.402 4.391 1.00 0.00 H new ATOM 141 N LEU A 13 16.348 15.024 3.647 1.00 0.00 N ATOM 142 CA LEU A 13 15.863 14.001 2.726 1.00 0.00 C ATOM 143 C LEU A 13 15.008 14.621 1.625 1.00 0.00 C ATOM 144 O LEU A 13 14.691 15.810 1.665 1.00 0.00 O ATOM 145 CB LEU A 13 15.054 12.947 3.483 1.00 0.00 C ATOM 146 CG LEU A 13 15.747 12.307 4.687 1.00 0.00 C ATOM 147 CD1 LEU A 13 14.719 11.754 5.662 1.00 0.00 C ATOM 148 CD2 LEU A 13 16.699 11.210 4.233 1.00 0.00 C ATOM 0 H LEU A 13 15.656 15.731 3.894 1.00 0.00 H new ATOM 0 HA LEU A 13 16.727 13.524 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.126 13.406 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.780 12.157 2.784 1.00 0.00 H new ATOM 0 HG LEU A 13 16.327 13.075 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.230 11.302 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.077 12.563 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.112 11.000 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 13 17.183 10.766 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.141 10.443 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.456 11.635 3.574 1.00 0.00 H new ATOM 160 N THR A 14 14.636 13.806 0.643 1.00 0.00 N ATOM 161 CA THR A 14 13.817 14.273 -0.468 1.00 0.00 C ATOM 162 C THR A 14 12.830 15.342 -0.013 1.00 0.00 C ATOM 163 O THR A 14 12.238 15.237 1.061 1.00 0.00 O ATOM 164 CB THR A 14 13.037 13.114 -1.117 1.00 0.00 C ATOM 165 OG1 THR A 14 13.870 11.953 -1.208 1.00 0.00 O ATOM 166 CG2 THR A 14 12.546 13.502 -2.504 1.00 0.00 C ATOM 0 H THR A 14 14.889 12.819 0.595 1.00 0.00 H new ATOM 0 HA THR A 14 14.498 14.701 -1.204 1.00 0.00 H new ATOM 0 HB THR A 14 12.172 12.892 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.366 11.220 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.998 12.668 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.889 14.368 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.399 13.748 -3.136 1.00 0.00 H new ATOM 174 N ALA A 15 12.657 16.371 -0.836 1.00 0.00 N ATOM 175 CA ALA A 15 11.740 17.458 -0.518 1.00 0.00 C ATOM 176 C ALA A 15 10.557 17.477 -1.480 1.00 0.00 C ATOM 177 O ALA A 15 10.636 18.049 -2.567 1.00 0.00 O ATOM 178 CB ALA A 15 12.471 18.792 -0.552 1.00 0.00 C ATOM 0 H ALA A 15 13.140 16.474 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 15 11.355 17.293 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.774 19.595 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.279 18.783 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.884 18.955 -1.547 1.00 0.00 H new ATOM 184 N GLY A 16 9.459 16.846 -1.074 1.00 0.00 N ATOM 185 CA GLY A 16 8.275 16.802 -1.912 1.00 0.00 C ATOM 186 C GLY A 16 7.760 15.391 -2.113 1.00 0.00 C ATOM 187 O GLY A 16 7.123 15.093 -3.124 1.00 0.00 O ATOM 0 H GLY A 16 9.369 16.364 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.491 17.411 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.503 17.244 -2.882 1.00 0.00 H new ATOM 191 N VAL A 17 8.036 14.518 -1.149 1.00 0.00 N ATOM 192 CA VAL A 17 7.596 13.130 -1.225 1.00 0.00 C ATOM 193 C VAL A 17 6.307 12.919 -0.440 1.00 0.00 C ATOM 194 O VAL A 17 6.036 13.597 0.551 1.00 0.00 O ATOM 195 CB VAL A 17 8.674 12.170 -0.689 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.854 12.103 -1.647 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.127 12.599 0.699 1.00 0.00 C ATOM 0 H VAL A 17 8.562 14.748 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 17 7.417 12.911 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 17 8.242 11.172 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.606 11.420 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.514 11.745 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.289 13.096 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.889 11.909 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.542 13.606 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.275 12.589 1.379 1.00 0.00 H new ATOM 207 N PRO A 18 5.491 11.954 -0.890 1.00 0.00 N ATOM 208 CA PRO A 18 4.216 11.629 -0.244 1.00 0.00 C ATOM 209 C PRO A 18 4.408 10.967 1.116 1.00 0.00 C ATOM 210 O PRO A 18 4.967 9.875 1.212 1.00 0.00 O ATOM 211 CB PRO A 18 3.559 10.655 -1.225 1.00 0.00 C ATOM 212 CG PRO A 18 4.695 10.040 -1.966 1.00 0.00 C ATOM 213 CD PRO A 18 5.751 11.106 -2.066 1.00 0.00 C ATOM 0 HA PRO A 18 3.621 12.520 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.973 9.900 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.879 11.173 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.074 9.163 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.381 9.708 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.755 10.681 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.666 11.670 -2.995 1.00 0.00 H new ATOM 221 N ASP A 19 3.941 11.635 2.165 1.00 0.00 N ATOM 222 CA ASP A 19 4.059 11.110 3.521 1.00 0.00 C ATOM 223 C ASP A 19 3.405 9.736 3.631 1.00 0.00 C ATOM 224 O ASP A 19 2.510 9.399 2.856 1.00 0.00 O ATOM 225 CB ASP A 19 3.421 12.074 4.522 1.00 0.00 C ATOM 226 CG ASP A 19 4.076 12.008 5.888 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.274 12.345 5.988 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.390 11.620 6.856 1.00 0.00 O ATOM 0 H ASP A 19 3.477 12.541 2.103 1.00 0.00 H new ATOM 0 HA ASP A 19 5.119 11.007 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.491 13.091 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.360 11.843 4.619 1.00 0.00 H new ATOM 233 N THR A 20 3.859 8.946 4.598 1.00 0.00 N ATOM 234 CA THR A 20 3.320 7.608 4.809 1.00 0.00 C ATOM 235 C THR A 20 1.807 7.590 4.628 1.00 0.00 C ATOM 236 O THR A 20 1.077 8.386 5.220 1.00 0.00 O ATOM 237 CB THR A 20 3.664 7.078 6.214 1.00 0.00 C ATOM 238 OG1 THR A 20 5.004 7.446 6.562 1.00 0.00 O ATOM 239 CG2 THR A 20 3.517 5.565 6.272 1.00 0.00 C ATOM 0 H THR A 20 4.599 9.210 5.248 1.00 0.00 H new ATOM 0 HA THR A 20 3.780 6.961 4.062 1.00 0.00 H new ATOM 0 HB THR A 20 2.969 7.522 6.926 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.220 7.093 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.765 5.213 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.489 5.290 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.191 5.106 5.549 1.00 0.00 H new ATOM 247 N PRO A 21 1.321 6.662 3.790 1.00 0.00 N ATOM 248 CA PRO A 21 -0.111 6.517 3.513 1.00 0.00 C ATOM 249 C PRO A 21 -0.883 5.980 4.714 1.00 0.00 C ATOM 250 O PRO A 21 -0.414 5.083 5.416 1.00 0.00 O ATOM 251 CB PRO A 21 -0.150 5.512 2.359 1.00 0.00 C ATOM 252 CG PRO A 21 1.109 4.727 2.498 1.00 0.00 C ATOM 253 CD PRO A 21 2.133 5.680 3.051 1.00 0.00 C ATOM 0 HA PRO A 21 -0.579 7.473 3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.027 4.868 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.197 6.018 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.967 3.877 3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.428 4.327 1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.843 5.173 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.712 6.153 2.258 1.00 0.00 H new ATOM 261 N THR A 22 -2.069 6.533 4.945 1.00 0.00 N ATOM 262 CA THR A 22 -2.906 6.110 6.061 1.00 0.00 C ATOM 263 C THR A 22 -3.151 4.606 6.024 1.00 0.00 C ATOM 264 O THR A 22 -2.783 3.930 5.063 1.00 0.00 O ATOM 265 CB THR A 22 -4.262 6.840 6.055 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.144 8.086 5.360 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.748 7.089 7.475 1.00 0.00 C ATOM 0 H THR A 22 -2.472 7.276 4.374 1.00 0.00 H new ATOM 0 HA THR A 22 -2.369 6.366 6.974 1.00 0.00 H new ATOM 0 HB THR A 22 -4.989 6.208 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.881 8.677 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.707 7.606 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.864 6.136 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.021 7.703 8.006 1.00 0.00 H new ATOM 275 N ARG A 23 -3.776 4.087 7.076 1.00 0.00 N ATOM 276 CA ARG A 23 -4.070 2.662 7.164 1.00 0.00 C ATOM 277 C ARG A 23 -4.692 2.154 5.866 1.00 0.00 C ATOM 278 O ARG A 23 -4.955 2.930 4.946 1.00 0.00 O ATOM 279 CB ARG A 23 -5.014 2.385 8.336 1.00 0.00 C ATOM 280 CG ARG A 23 -4.391 2.656 9.696 1.00 0.00 C ATOM 281 CD ARG A 23 -3.254 1.690 9.990 1.00 0.00 C ATOM 282 NE ARG A 23 -2.756 1.831 11.356 1.00 0.00 N ATOM 283 CZ ARG A 23 -3.343 1.281 12.413 1.00 0.00 C ATOM 284 NH1 ARG A 23 -4.443 0.557 12.263 1.00 0.00 N ATOM 285 NH2 ARG A 23 -2.828 1.455 13.624 1.00 0.00 N ATOM 0 H ARG A 23 -4.088 4.632 7.879 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.131 2.133 7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.907 3.000 8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.336 1.345 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.018 3.680 9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.153 2.569 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.597 0.667 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.439 1.864 9.287 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.911 2.382 11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.841 0.421 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.891 0.136 13.077 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.981 2.011 13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.279 1.033 14.436 1.00 0.00 H new ATOM 299 N LEU A 24 -4.924 0.848 5.799 1.00 0.00 N ATOM 300 CA LEU A 24 -5.514 0.236 4.614 1.00 0.00 C ATOM 301 C LEU A 24 -6.821 -0.471 4.959 1.00 0.00 C ATOM 302 O LEU A 24 -7.000 -0.957 6.076 1.00 0.00 O ATOM 303 CB LEU A 24 -4.534 -0.758 3.987 1.00 0.00 C ATOM 304 CG LEU A 24 -3.049 -0.445 4.175 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.191 -1.531 3.545 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.711 0.915 3.583 1.00 0.00 C ATOM 0 H LEU A 24 -4.713 0.192 6.551 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.729 1.028 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.732 -1.745 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.740 -0.816 2.918 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.836 -0.416 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.137 -1.291 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.413 -2.489 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.407 -1.592 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.650 1.121 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.940 0.915 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.300 1.685 4.081 1.00 0.00 H new ATOM 318 N VAL A 25 -7.731 -0.527 3.993 1.00 0.00 N ATOM 319 CA VAL A 25 -9.021 -1.178 4.193 1.00 0.00 C ATOM 320 C VAL A 25 -9.134 -2.444 3.352 1.00 0.00 C ATOM 321 O VAL A 25 -9.025 -2.399 2.126 1.00 0.00 O ATOM 322 CB VAL A 25 -10.186 -0.234 3.841 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.490 -1.010 3.742 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.297 0.881 4.870 1.00 0.00 C ATOM 0 H VAL A 25 -7.599 -0.129 3.063 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.083 -1.441 5.249 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.985 0.217 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.302 -0.327 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.403 -1.770 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.701 -1.491 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.125 1.539 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.476 0.450 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.370 1.454 4.887 1.00 0.00 H new ATOM 334 N PHE A 26 -9.355 -3.572 4.017 1.00 0.00 N ATOM 335 CA PHE A 26 -9.483 -4.852 3.331 1.00 0.00 C ATOM 336 C PHE A 26 -10.943 -5.289 3.263 1.00 0.00 C ATOM 337 O PHE A 26 -11.676 -5.198 4.248 1.00 0.00 O ATOM 338 CB PHE A 26 -8.651 -5.922 4.042 1.00 0.00 C ATOM 339 CG PHE A 26 -7.222 -5.518 4.268 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.859 -4.817 5.406 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.243 -5.839 3.342 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.545 -4.444 5.617 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.927 -5.469 3.548 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.578 -4.770 4.686 1.00 0.00 C ATOM 0 H PHE A 26 -9.449 -3.626 5.031 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.111 -4.729 2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.112 -6.150 5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.672 -6.839 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.611 -4.559 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.511 -6.384 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.275 -3.898 6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.173 -5.727 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.551 -4.479 4.848 1.00 0.00 H new ATOM 354 N SER A 27 -11.359 -5.764 2.094 1.00 0.00 N ATOM 355 CA SER A 27 -12.733 -6.211 1.895 1.00 0.00 C ATOM 356 C SER A 27 -12.836 -7.728 2.030 1.00 0.00 C ATOM 357 O SER A 27 -13.785 -8.247 2.617 1.00 0.00 O ATOM 358 CB SER A 27 -13.240 -5.776 0.519 1.00 0.00 C ATOM 359 OG SER A 27 -14.633 -6.000 0.394 1.00 0.00 O ATOM 0 H SER A 27 -10.764 -5.849 1.270 1.00 0.00 H new ATOM 0 HA SER A 27 -13.353 -5.751 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.023 -4.719 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.709 -6.326 -0.258 1.00 0.00 H new ATOM 0 HG SER A 27 -14.932 -5.712 -0.494 1.00 0.00 H new ATOM 365 N ALA A 28 -11.850 -8.432 1.484 1.00 0.00 N ATOM 366 CA ALA A 28 -11.827 -9.888 1.545 1.00 0.00 C ATOM 367 C ALA A 28 -13.024 -10.487 0.813 1.00 0.00 C ATOM 368 O ALA A 28 -13.762 -11.300 1.370 1.00 0.00 O ATOM 369 CB ALA A 28 -11.804 -10.356 2.992 1.00 0.00 C ATOM 0 H ALA A 28 -11.057 -8.018 0.995 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.920 -10.233 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.787 -11.445 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.915 -9.966 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.694 -9.993 3.506 1.00 0.00 H new ATOM 375 N LEU A 29 -13.210 -10.080 -0.438 1.00 0.00 N ATOM 376 CA LEU A 29 -14.319 -10.577 -1.246 1.00 0.00 C ATOM 377 C LEU A 29 -14.494 -12.081 -1.065 1.00 0.00 C ATOM 378 O LEU A 29 -15.600 -12.607 -1.190 1.00 0.00 O ATOM 379 CB LEU A 29 -14.083 -10.254 -2.723 1.00 0.00 C ATOM 380 CG LEU A 29 -13.996 -8.769 -3.080 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.835 -7.940 -2.120 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.548 -8.302 -3.067 1.00 0.00 C ATOM 0 H LEU A 29 -12.608 -9.408 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.231 -10.081 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.158 -10.737 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.889 -10.701 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.392 -8.632 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.761 -6.886 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.876 -8.258 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.470 -8.081 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.505 -7.243 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.126 -8.452 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.974 -8.875 -3.795 1.00 0.00 H new ATOM 394 N GLY A 30 -13.396 -12.768 -0.767 1.00 0.00 N ATOM 395 CA GLY A 30 -13.450 -14.205 -0.571 1.00 0.00 C ATOM 396 C GLY A 30 -12.171 -14.758 0.026 1.00 0.00 C ATOM 397 O GLY A 30 -11.314 -14.016 0.507 1.00 0.00 O ATOM 0 H GLY A 30 -12.470 -12.355 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.287 -14.448 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.641 -14.692 -1.527 1.00 0.00 H new ATOM 401 N PRO A 31 -12.030 -16.091 0.001 1.00 0.00 N ATOM 402 CA PRO A 31 -10.849 -16.772 0.542 1.00 0.00 C ATOM 403 C PRO A 31 -9.602 -16.526 -0.301 1.00 0.00 C ATOM 404 O PRO A 31 -8.480 -16.565 0.206 1.00 0.00 O ATOM 405 CB PRO A 31 -11.242 -18.251 0.497 1.00 0.00 C ATOM 406 CG PRO A 31 -12.261 -18.340 -0.586 1.00 0.00 C ATOM 407 CD PRO A 31 -13.011 -17.037 -0.556 1.00 0.00 C ATOM 0 HA PRO A 31 -10.593 -16.415 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.380 -18.883 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.650 -18.581 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.788 -18.496 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.934 -19.182 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.337 -16.738 -1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.904 -17.102 0.065 1.00 0.00 H new ATOM 415 N THR A 32 -9.805 -16.273 -1.590 1.00 0.00 N ATOM 416 CA THR A 32 -8.697 -16.021 -2.502 1.00 0.00 C ATOM 417 C THR A 32 -8.825 -14.651 -3.158 1.00 0.00 C ATOM 418 O THR A 32 -8.238 -14.399 -4.211 1.00 0.00 O ATOM 419 CB THR A 32 -8.617 -17.098 -3.601 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.909 -17.296 -4.187 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.106 -18.414 -3.033 1.00 0.00 C ATOM 0 H THR A 32 -10.727 -16.237 -2.026 1.00 0.00 H new ATOM 0 HA THR A 32 -7.785 -16.052 -1.906 1.00 0.00 H new ATOM 0 HB THR A 32 -7.920 -16.755 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.850 -17.981 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.058 -19.159 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.111 -18.267 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.782 -18.760 -2.251 1.00 0.00 H new ATOM 429 N SER A 33 -9.595 -13.769 -2.530 1.00 0.00 N ATOM 430 CA SER A 33 -9.803 -12.424 -3.055 1.00 0.00 C ATOM 431 C SER A 33 -9.792 -11.394 -1.930 1.00 0.00 C ATOM 432 O SER A 33 -10.187 -11.687 -0.800 1.00 0.00 O ATOM 433 CB SER A 33 -11.127 -12.350 -3.817 1.00 0.00 C ATOM 434 OG SER A 33 -12.130 -13.116 -3.171 1.00 0.00 O ATOM 0 H SER A 33 -10.086 -13.961 -1.657 1.00 0.00 H new ATOM 0 HA SER A 33 -8.985 -12.197 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.450 -11.312 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.986 -12.714 -4.835 1.00 0.00 H new ATOM 0 HG SER A 33 -12.967 -13.051 -3.676 1.00 0.00 H new ATOM 440 N LEU A 34 -9.336 -10.187 -2.246 1.00 0.00 N ATOM 441 CA LEU A 34 -9.273 -9.111 -1.263 1.00 0.00 C ATOM 442 C LEU A 34 -9.312 -7.747 -1.945 1.00 0.00 C ATOM 443 O LEU A 34 -9.098 -7.640 -3.152 1.00 0.00 O ATOM 444 CB LEU A 34 -8.001 -9.237 -0.422 1.00 0.00 C ATOM 445 CG LEU A 34 -8.128 -10.048 0.868 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.812 -10.736 1.197 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.567 -9.155 2.019 1.00 0.00 C ATOM 0 H LEU A 34 -9.004 -9.929 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.143 -9.196 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.225 -9.691 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.658 -8.235 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.889 -10.815 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.921 -11.308 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.539 -11.407 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.032 -9.986 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.652 -9.749 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.830 -8.366 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.534 -8.709 1.785 1.00 0.00 H new ATOM 459 N ARG A 35 -9.586 -6.708 -1.163 1.00 0.00 N ATOM 460 CA ARG A 35 -9.652 -5.351 -1.691 1.00 0.00 C ATOM 461 C ARG A 35 -8.997 -4.362 -0.731 1.00 0.00 C ATOM 462 O ARG A 35 -9.564 -4.019 0.306 1.00 0.00 O ATOM 463 CB ARG A 35 -11.107 -4.949 -1.941 1.00 0.00 C ATOM 464 CG ARG A 35 -11.257 -3.751 -2.864 1.00 0.00 C ATOM 465 CD ARG A 35 -12.720 -3.409 -3.099 1.00 0.00 C ATOM 466 NE ARG A 35 -12.891 -2.453 -4.189 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.942 -1.649 -4.305 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.911 -1.685 -3.400 1.00 0.00 N ATOM 469 NH2 ARG A 35 -14.025 -0.806 -5.326 1.00 0.00 N ATOM 0 H ARG A 35 -9.766 -6.780 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.108 -5.328 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.641 -5.797 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.582 -4.723 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.746 -2.891 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.774 -3.962 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.273 -4.320 -3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.147 -2.996 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.163 -2.399 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.850 -2.331 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.717 -1.067 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.281 -0.775 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.833 -0.189 -5.414 1.00 0.00 H new ATOM 483 N VAL A 36 -7.800 -3.906 -1.085 1.00 0.00 N ATOM 484 CA VAL A 36 -7.068 -2.956 -0.256 1.00 0.00 C ATOM 485 C VAL A 36 -7.322 -1.522 -0.708 1.00 0.00 C ATOM 486 O VAL A 36 -7.259 -1.216 -1.899 1.00 0.00 O ATOM 487 CB VAL A 36 -5.553 -3.232 -0.290 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.780 -2.036 0.244 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.222 -4.488 0.502 1.00 0.00 C ATOM 0 H VAL A 36 -7.316 -4.179 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.430 -3.082 0.764 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.254 -3.394 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.712 -2.250 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.994 -1.161 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.080 -1.839 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.147 -4.668 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.535 -4.358 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.746 -5.340 0.069 1.00 0.00 H new ATOM 499 N SER A 37 -7.610 -0.648 0.250 1.00 0.00 N ATOM 500 CA SER A 37 -7.877 0.754 -0.049 1.00 0.00 C ATOM 501 C SER A 37 -7.153 1.668 0.935 1.00 0.00 C ATOM 502 O SER A 37 -7.146 1.417 2.141 1.00 0.00 O ATOM 503 CB SER A 37 -9.382 1.029 -0.005 1.00 0.00 C ATOM 504 OG SER A 37 -9.655 2.405 -0.202 1.00 0.00 O ATOM 0 H SER A 37 -7.665 -0.886 1.240 1.00 0.00 H new ATOM 0 HA SER A 37 -7.505 0.963 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.885 0.442 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.785 0.709 0.956 1.00 0.00 H new ATOM 0 HG SER A 37 -9.068 2.758 -0.903 1.00 0.00 H new ATOM 510 N TRP A 38 -6.547 2.727 0.413 1.00 0.00 N ATOM 511 CA TRP A 38 -5.819 3.679 1.245 1.00 0.00 C ATOM 512 C TRP A 38 -6.363 5.091 1.058 1.00 0.00 C ATOM 513 O TRP A 38 -7.355 5.296 0.360 1.00 0.00 O ATOM 514 CB TRP A 38 -4.327 3.645 0.909 1.00 0.00 C ATOM 515 CG TRP A 38 -4.047 3.730 -0.561 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.581 4.816 -1.245 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.217 2.687 -1.527 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.451 4.511 -2.578 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.834 3.211 -2.777 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.653 1.361 -1.458 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.876 2.455 -3.946 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.695 0.612 -2.619 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.307 1.160 -3.849 1.00 0.00 C ATOM 0 H TRP A 38 -6.545 2.949 -0.583 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.956 3.392 2.288 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.829 4.472 1.415 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.894 2.725 1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.349 5.774 -0.803 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.122 5.149 -3.303 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.952 0.929 -0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.579 2.876 -4.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.033 -0.413 -2.577 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.349 0.548 -4.738 1.00 0.00 H new ATOM 534 N GLN A 39 -5.706 6.061 1.686 1.00 0.00 N ATOM 535 CA GLN A 39 -6.126 7.454 1.589 1.00 0.00 C ATOM 536 C GLN A 39 -5.009 8.320 1.015 1.00 0.00 C ATOM 537 O GLN A 39 -3.878 8.292 1.499 1.00 0.00 O ATOM 538 CB GLN A 39 -6.540 7.981 2.964 1.00 0.00 C ATOM 539 CG GLN A 39 -7.103 9.393 2.930 1.00 0.00 C ATOM 540 CD GLN A 39 -7.936 9.719 4.154 1.00 0.00 C ATOM 541 OE1 GLN A 39 -7.656 9.242 5.254 1.00 0.00 O ATOM 542 NE2 GLN A 39 -8.966 10.537 3.968 1.00 0.00 N ATOM 0 H GLN A 39 -4.882 5.908 2.267 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.982 7.503 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.287 7.311 3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.676 7.959 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.282 10.106 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.715 9.515 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.161 10.909 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.562 10.793 4.755 1.00 0.00 H new ATOM 551 N GLU A 40 -5.335 9.087 -0.021 1.00 0.00 N ATOM 552 CA GLU A 40 -4.358 9.960 -0.661 1.00 0.00 C ATOM 553 C GLU A 40 -3.607 10.790 0.376 1.00 0.00 C ATOM 554 O GLU A 40 -4.140 11.740 0.951 1.00 0.00 O ATOM 555 CB GLU A 40 -5.048 10.883 -1.668 1.00 0.00 C ATOM 556 CG GLU A 40 -4.084 11.593 -2.603 1.00 0.00 C ATOM 557 CD GLU A 40 -3.535 12.877 -2.011 1.00 0.00 C ATOM 558 OE1 GLU A 40 -4.227 13.485 -1.167 1.00 0.00 O ATOM 559 OE2 GLU A 40 -2.414 13.274 -2.392 1.00 0.00 O ATOM 0 H GLU A 40 -6.267 9.121 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.639 9.333 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.752 10.299 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.630 11.628 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.257 10.925 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.593 11.818 -3.540 1.00 0.00 H new ATOM 566 N PRO A 41 -2.341 10.425 0.622 1.00 0.00 N ATOM 567 CA PRO A 41 -1.489 11.122 1.590 1.00 0.00 C ATOM 568 C PRO A 41 -1.098 12.518 1.119 1.00 0.00 C ATOM 569 O PRO A 41 -1.410 12.914 -0.004 1.00 0.00 O ATOM 570 CB PRO A 41 -0.253 10.224 1.687 1.00 0.00 C ATOM 571 CG PRO A 41 -0.209 9.499 0.387 1.00 0.00 C ATOM 572 CD PRO A 41 -1.642 9.303 -0.027 1.00 0.00 C ATOM 0 HA PRO A 41 -1.996 11.276 2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.652 10.811 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.332 9.531 2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.338 10.072 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.302 8.542 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.755 9.332 -1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.029 8.341 0.308 1.00 0.00 H new ATOM 580 N ARG A 42 -0.413 13.259 1.983 1.00 0.00 N ATOM 581 CA ARG A 42 0.020 14.612 1.654 1.00 0.00 C ATOM 582 C ARG A 42 1.249 14.585 0.750 1.00 0.00 C ATOM 583 O ARG A 42 2.159 13.778 0.946 1.00 0.00 O ATOM 584 CB ARG A 42 0.331 15.395 2.931 1.00 0.00 C ATOM 585 CG ARG A 42 1.617 14.961 3.615 1.00 0.00 C ATOM 586 CD ARG A 42 2.087 15.994 4.627 1.00 0.00 C ATOM 587 NE ARG A 42 1.101 16.215 5.681 1.00 0.00 N ATOM 588 CZ ARG A 42 0.845 15.338 6.645 1.00 0.00 C ATOM 589 NH1 ARG A 42 1.500 14.186 6.687 1.00 0.00 N ATOM 590 NH2 ARG A 42 -0.067 15.612 7.569 1.00 0.00 N ATOM 0 H ARG A 42 -0.146 12.946 2.916 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.792 15.107 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.398 16.456 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.498 15.279 3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.459 14.006 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.393 14.804 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.026 15.664 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.289 16.936 4.117 1.00 0.00 H new ATOM 0 HE ARG A 42 0.580 17.092 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.202 13.972 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.302 13.514 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.573 16.497 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.262 14.937 8.309 1.00 0.00 H new ATOM 604 N CYS A 43 1.268 15.470 -0.240 1.00 0.00 N ATOM 605 CA CYS A 43 2.385 15.547 -1.176 1.00 0.00 C ATOM 606 C CYS A 43 2.321 16.833 -1.993 1.00 0.00 C ATOM 607 O CYS A 43 1.467 16.982 -2.866 1.00 0.00 O ATOM 608 CB CYS A 43 2.380 14.334 -2.108 1.00 0.00 C ATOM 609 SG CYS A 43 0.901 14.202 -3.139 1.00 0.00 S ATOM 0 H CYS A 43 0.523 16.144 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 43 3.311 15.550 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.257 14.382 -2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.474 13.428 -1.509 1.00 0.00 H new ATOM 0 HG CYS A 43 1.068 14.892 -4.228 1.00 0.00 H new ATOM 615 N GLU A 44 3.230 17.758 -1.703 1.00 0.00 N ATOM 616 CA GLU A 44 3.275 19.032 -2.411 1.00 0.00 C ATOM 617 C GLU A 44 3.166 18.822 -3.918 1.00 0.00 C ATOM 618 O GLU A 44 2.609 19.655 -4.633 1.00 0.00 O ATOM 619 CB GLU A 44 4.570 19.779 -2.081 1.00 0.00 C ATOM 620 CG GLU A 44 4.481 21.279 -2.305 1.00 0.00 C ATOM 621 CD GLU A 44 5.749 22.005 -1.899 1.00 0.00 C ATOM 622 OE1 GLU A 44 5.990 22.139 -0.681 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.499 22.439 -2.798 1.00 0.00 O ATOM 0 H GLU A 44 3.945 17.649 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 44 2.425 19.630 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.833 19.591 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.378 19.376 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.276 21.474 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.640 21.678 -1.737 1.00 0.00 H new ATOM 630 N ARG A 45 3.702 17.703 -4.394 1.00 0.00 N ATOM 631 CA ARG A 45 3.667 17.383 -5.816 1.00 0.00 C ATOM 632 C ARG A 45 2.562 16.376 -6.119 1.00 0.00 C ATOM 633 O ARG A 45 2.172 15.571 -5.274 1.00 0.00 O ATOM 634 CB ARG A 45 5.018 16.825 -6.268 1.00 0.00 C ATOM 635 CG ARG A 45 6.185 17.760 -5.996 1.00 0.00 C ATOM 636 CD ARG A 45 6.219 18.912 -6.988 1.00 0.00 C ATOM 637 NE ARG A 45 7.562 19.466 -7.139 1.00 0.00 N ATOM 638 CZ ARG A 45 7.809 20.660 -7.665 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.810 21.422 -8.088 1.00 0.00 N ATOM 640 NH2 ARG A 45 9.059 21.095 -7.768 1.00 0.00 N ATOM 0 H ARG A 45 4.166 17.003 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 45 3.459 18.301 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.198 15.877 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.975 16.613 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.109 18.153 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.120 17.203 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.859 18.567 -7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.539 19.696 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 45 8.353 18.905 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.848 21.092 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.003 22.339 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.830 20.512 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.248 22.012 -8.172 1.00 0.00 H new ATOM 654 N PRO A 46 2.042 16.422 -7.355 1.00 0.00 N ATOM 655 CA PRO A 46 0.974 15.521 -7.799 1.00 0.00 C ATOM 656 C PRO A 46 1.455 14.082 -7.949 1.00 0.00 C ATOM 657 O PRO A 46 2.525 13.828 -8.504 1.00 0.00 O ATOM 658 CB PRO A 46 0.570 16.094 -9.160 1.00 0.00 C ATOM 659 CG PRO A 46 1.781 16.814 -9.643 1.00 0.00 C ATOM 660 CD PRO A 46 2.458 17.357 -8.414 1.00 0.00 C ATOM 0 HA PRO A 46 0.155 15.474 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.278 15.304 -9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.281 16.769 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.443 16.142 -10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.510 17.618 -10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.542 17.378 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.140 18.377 -8.197 1.00 0.00 H new ATOM 668 N LEU A 47 0.658 13.143 -7.451 1.00 0.00 N ATOM 669 CA LEU A 47 1.002 11.727 -7.530 1.00 0.00 C ATOM 670 C LEU A 47 0.799 11.195 -8.945 1.00 0.00 C ATOM 671 O LEU A 47 -0.083 11.655 -9.669 1.00 0.00 O ATOM 672 CB LEU A 47 0.156 10.921 -6.543 1.00 0.00 C ATOM 673 CG LEU A 47 0.237 11.354 -5.079 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.953 10.820 -4.298 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.542 10.882 -4.455 1.00 0.00 C ATOM 0 H LEU A 47 -0.230 13.336 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 47 2.055 11.619 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.886 10.975 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.455 9.875 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 47 0.212 12.443 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.878 11.138 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.875 11.207 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.960 9.731 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.583 11.199 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.597 9.795 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.382 11.314 -4.999 1.00 0.00 H new ATOM 687 N GLN A 48 1.619 10.224 -9.330 1.00 0.00 N ATOM 688 CA GLN A 48 1.528 9.628 -10.658 1.00 0.00 C ATOM 689 C GLN A 48 0.768 8.307 -10.611 1.00 0.00 C ATOM 690 O GLN A 48 0.218 7.859 -11.616 1.00 0.00 O ATOM 691 CB GLN A 48 2.926 9.407 -11.238 1.00 0.00 C ATOM 692 CG GLN A 48 3.619 10.691 -11.663 1.00 0.00 C ATOM 693 CD GLN A 48 5.060 10.468 -12.077 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.388 9.463 -12.709 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.930 11.406 -11.723 1.00 0.00 N ATOM 0 H GLN A 48 2.354 9.833 -8.742 1.00 0.00 H new ATOM 0 HA GLN A 48 0.981 10.317 -11.301 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.542 8.900 -10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.852 8.742 -12.098 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.071 11.137 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.588 11.405 -10.840 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.615 12.223 -11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.914 11.310 -11.974 1.00 0.00 H new ATOM 704 N GLY A 49 0.743 7.686 -9.436 1.00 0.00 N ATOM 705 CA GLY A 49 0.049 6.421 -9.280 1.00 0.00 C ATOM 706 C GLY A 49 0.123 5.890 -7.862 1.00 0.00 C ATOM 707 O GLY A 49 0.113 6.660 -6.902 1.00 0.00 O ATOM 0 H GLY A 49 1.191 8.036 -8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.996 6.546 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.479 5.688 -9.962 1.00 0.00 H new ATOM 711 N TYR A 50 0.196 4.570 -7.729 1.00 0.00 N ATOM 712 CA TYR A 50 0.267 3.936 -6.418 1.00 0.00 C ATOM 713 C TYR A 50 0.880 2.543 -6.519 1.00 0.00 C ATOM 714 O TYR A 50 0.969 1.968 -7.604 1.00 0.00 O ATOM 715 CB TYR A 50 -1.126 3.848 -5.794 1.00 0.00 C ATOM 716 CG TYR A 50 -1.640 5.171 -5.271 1.00 0.00 C ATOM 717 CD1 TYR A 50 -1.027 5.800 -4.195 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.739 5.791 -5.852 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.493 7.007 -3.713 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.211 6.999 -5.378 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.585 7.604 -4.308 1.00 0.00 C ATOM 722 OH TYR A 50 -3.053 8.807 -3.832 1.00 0.00 O ATOM 0 H TYR A 50 0.208 3.918 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 50 0.905 4.549 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.825 3.465 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.104 3.127 -4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.171 5.337 -3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.233 5.320 -6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.005 7.481 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.066 7.468 -5.843 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.826 9.090 -4.363 1.00 0.00 H new ATOM 732 N SER A 51 1.302 2.005 -5.379 1.00 0.00 N ATOM 733 CA SER A 51 1.910 0.680 -5.338 1.00 0.00 C ATOM 734 C SER A 51 1.359 -0.134 -4.171 1.00 0.00 C ATOM 735 O SER A 51 1.195 0.379 -3.064 1.00 0.00 O ATOM 736 CB SER A 51 3.431 0.797 -5.220 1.00 0.00 C ATOM 737 OG SER A 51 4.076 -0.317 -5.812 1.00 0.00 O ATOM 0 H SER A 51 1.234 2.466 -4.472 1.00 0.00 H new ATOM 0 HA SER A 51 1.663 0.165 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.767 1.715 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.713 0.868 -4.170 1.00 0.00 H new ATOM 0 HG SER A 51 4.122 -1.051 -5.164 1.00 0.00 H new ATOM 743 N VAL A 52 1.076 -1.407 -4.428 1.00 0.00 N ATOM 744 CA VAL A 52 0.544 -2.294 -3.400 1.00 0.00 C ATOM 745 C VAL A 52 1.286 -3.626 -3.386 1.00 0.00 C ATOM 746 O VAL A 52 1.145 -4.435 -4.303 1.00 0.00 O ATOM 747 CB VAL A 52 -0.959 -2.559 -3.609 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.519 -3.390 -2.465 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.716 -1.246 -3.746 1.00 0.00 C ATOM 0 H VAL A 52 1.206 -1.847 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 52 0.687 -1.791 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.086 -3.124 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.582 -3.567 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.995 -4.345 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.382 -2.855 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.776 -1.451 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.583 -0.653 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.331 -0.692 -4.602 1.00 0.00 H new ATOM 759 N GLU A 53 2.076 -3.846 -2.340 1.00 0.00 N ATOM 760 CA GLU A 53 2.841 -5.081 -2.208 1.00 0.00 C ATOM 761 C GLU A 53 2.223 -5.993 -1.151 1.00 0.00 C ATOM 762 O GLU A 53 1.730 -5.526 -0.124 1.00 0.00 O ATOM 763 CB GLU A 53 4.294 -4.770 -1.842 1.00 0.00 C ATOM 764 CG GLU A 53 5.106 -4.213 -2.999 1.00 0.00 C ATOM 765 CD GLU A 53 5.017 -2.703 -3.101 1.00 0.00 C ATOM 766 OE1 GLU A 53 3.998 -2.203 -3.621 1.00 0.00 O ATOM 767 OE2 GLU A 53 5.966 -2.021 -2.660 1.00 0.00 O ATOM 0 H GLU A 53 2.203 -3.186 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 53 2.818 -5.597 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.308 -4.053 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.771 -5.680 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.149 -4.504 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.756 -4.658 -3.931 1.00 0.00 H new ATOM 774 N TYR A 54 2.253 -7.295 -1.412 1.00 0.00 N ATOM 775 CA TYR A 54 1.694 -8.273 -0.487 1.00 0.00 C ATOM 776 C TYR A 54 2.449 -9.596 -0.571 1.00 0.00 C ATOM 777 O TYR A 54 2.829 -10.038 -1.655 1.00 0.00 O ATOM 778 CB TYR A 54 0.211 -8.499 -0.785 1.00 0.00 C ATOM 779 CG TYR A 54 -0.038 -9.338 -2.019 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.112 -10.719 -1.985 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.421 -8.750 -3.217 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.113 -11.489 -3.109 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.650 -9.512 -4.346 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.494 -10.882 -4.287 1.00 0.00 C ATOM 785 OH TYR A 54 -0.720 -11.645 -5.410 1.00 0.00 O ATOM 0 H TYR A 54 2.659 -7.698 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 54 1.798 -7.880 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.254 -8.984 0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.278 -7.532 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.410 -11.198 -1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.542 -7.678 -3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.009 -12.561 -3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.949 -9.039 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.150 -12.442 -5.384 1.00 0.00 H new ATOM 795 N GLN A 55 2.660 -10.223 0.582 1.00 0.00 N ATOM 796 CA GLN A 55 3.370 -11.496 0.639 1.00 0.00 C ATOM 797 C GLN A 55 3.115 -12.201 1.968 1.00 0.00 C ATOM 798 O GLN A 55 2.856 -11.557 2.985 1.00 0.00 O ATOM 799 CB GLN A 55 4.871 -11.277 0.444 1.00 0.00 C ATOM 800 CG GLN A 55 5.614 -10.972 1.734 1.00 0.00 C ATOM 801 CD GLN A 55 7.070 -10.620 1.500 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.786 -11.494 0.802 1.00 0.00 O flip ATOM 803 NE2 GLN A 55 7.547 -9.574 1.941 1.00 0.00 N flip ATOM 0 H GLN A 55 2.350 -9.871 1.488 1.00 0.00 H new ATOM 0 HA GLN A 55 2.996 -12.129 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.303 -12.167 -0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.022 -10.455 -0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.122 -10.145 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.555 -11.836 2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.961 -8.930 2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.528 -9.351 1.775 1.00 0.00 H new ATOM 812 N LEU A 56 3.191 -13.527 1.951 1.00 0.00 N ATOM 813 CA LEU A 56 2.969 -14.321 3.155 1.00 0.00 C ATOM 814 C LEU A 56 3.769 -13.765 4.329 1.00 0.00 C ATOM 815 O LEU A 56 5.000 -13.801 4.328 1.00 0.00 O ATOM 816 CB LEU A 56 3.355 -15.780 2.906 1.00 0.00 C ATOM 817 CG LEU A 56 2.310 -16.637 2.190 1.00 0.00 C ATOM 818 CD1 LEU A 56 2.921 -17.953 1.734 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.114 -16.889 3.096 1.00 0.00 C ATOM 0 H LEU A 56 3.404 -14.075 1.118 1.00 0.00 H new ATOM 0 HA LEU A 56 1.909 -14.269 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.274 -15.797 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.581 -16.244 3.866 1.00 0.00 H new ATOM 0 HG LEU A 56 1.965 -16.095 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.163 -18.550 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.745 -17.754 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.294 -18.500 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.381 -17.500 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.442 -17.410 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.661 -15.937 3.373 1.00 0.00 H new ATOM 831 N LEU A 57 3.062 -13.254 5.331 1.00 0.00 N ATOM 832 CA LEU A 57 3.705 -12.692 6.513 1.00 0.00 C ATOM 833 C LEU A 57 4.903 -13.537 6.934 1.00 0.00 C ATOM 834 O LEU A 57 5.986 -13.012 7.190 1.00 0.00 O ATOM 835 CB LEU A 57 2.704 -12.597 7.666 1.00 0.00 C ATOM 836 CG LEU A 57 3.153 -11.781 8.879 1.00 0.00 C ATOM 837 CD1 LEU A 57 3.229 -10.303 8.529 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.209 -12.005 10.051 1.00 0.00 C ATOM 0 H LEU A 57 2.043 -13.217 5.348 1.00 0.00 H new ATOM 0 HA LEU A 57 4.058 -11.692 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.780 -12.164 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.468 -13.607 8.000 1.00 0.00 H new ATOM 0 HG LEU A 57 4.148 -12.116 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.550 -9.738 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.945 -10.157 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.247 -9.953 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.544 -11.417 10.905 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.202 -11.697 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.204 -13.062 10.318 1.00 0.00 H new ATOM 850 N ASN A 58 4.702 -14.849 7.001 1.00 0.00 N ATOM 851 CA ASN A 58 5.766 -15.767 7.389 1.00 0.00 C ATOM 852 C ASN A 58 6.968 -15.631 6.458 1.00 0.00 C ATOM 853 O ASN A 58 8.108 -15.534 6.910 1.00 0.00 O ATOM 854 CB ASN A 58 5.256 -17.209 7.373 1.00 0.00 C ATOM 855 CG ASN A 58 4.456 -17.526 6.123 1.00 0.00 C ATOM 856 OD1 ASN A 58 3.166 -17.214 6.152 1.00 0.00 O flip ATOM 857 ND2 ASN A 58 4.993 -18.044 5.144 1.00 0.00 N flip ATOM 0 H ASN A 58 3.812 -15.300 6.791 1.00 0.00 H new ATOM 0 HA ASN A 58 6.081 -15.511 8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.103 -17.892 7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.635 -17.382 8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.988 -18.267 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.443 -18.251 4.310 1.00 0.00 H new ATOM 864 N GLY A 59 6.703 -15.624 5.155 1.00 0.00 N ATOM 865 CA GLY A 59 7.772 -15.498 4.182 1.00 0.00 C ATOM 866 C GLY A 59 7.593 -16.432 3.001 1.00 0.00 C ATOM 867 O GLY A 59 7.990 -17.595 3.054 1.00 0.00 O ATOM 0 H GLY A 59 5.768 -15.703 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.815 -14.469 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.726 -15.707 4.666 1.00 0.00 H new ATOM 871 N GLY A 60 6.991 -15.921 1.931 1.00 0.00 N ATOM 872 CA GLY A 60 6.769 -16.732 0.747 1.00 0.00 C ATOM 873 C GLY A 60 7.013 -15.963 -0.536 1.00 0.00 C ATOM 874 O GLY A 60 8.117 -15.473 -0.772 1.00 0.00 O ATOM 0 H GLY A 60 6.653 -14.961 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.427 -17.601 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.745 -17.107 0.754 1.00 0.00 H new ATOM 878 N GLU A 61 5.981 -15.859 -1.367 1.00 0.00 N ATOM 879 CA GLU A 61 6.091 -15.146 -2.635 1.00 0.00 C ATOM 880 C GLU A 61 5.634 -13.698 -2.486 1.00 0.00 C ATOM 881 O GLU A 61 4.568 -13.425 -1.932 1.00 0.00 O ATOM 882 CB GLU A 61 5.260 -15.846 -3.712 1.00 0.00 C ATOM 883 CG GLU A 61 5.631 -15.437 -5.128 1.00 0.00 C ATOM 884 CD GLU A 61 5.351 -16.529 -6.143 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.074 -17.547 -6.132 1.00 0.00 O ATOM 886 OE2 GLU A 61 4.410 -16.365 -6.947 1.00 0.00 O ATOM 0 H GLU A 61 5.060 -16.259 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 61 7.139 -15.149 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.383 -16.924 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.205 -15.628 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.074 -14.541 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.689 -15.177 -5.162 1.00 0.00 H new ATOM 893 N LEU A 62 6.448 -12.773 -2.983 1.00 0.00 N ATOM 894 CA LEU A 62 6.129 -11.352 -2.906 1.00 0.00 C ATOM 895 C LEU A 62 5.578 -10.844 -4.235 1.00 0.00 C ATOM 896 O LEU A 62 6.228 -10.964 -5.274 1.00 0.00 O ATOM 897 CB LEU A 62 7.372 -10.551 -2.517 1.00 0.00 C ATOM 898 CG LEU A 62 7.246 -9.029 -2.605 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.302 -8.573 -4.055 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.955 -8.562 -1.947 1.00 0.00 C ATOM 0 H LEU A 62 7.334 -12.982 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 62 5.363 -11.218 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.644 -10.814 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.197 -10.865 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 62 8.085 -8.582 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.211 -7.488 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.252 -8.875 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.483 -9.029 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.882 -7.477 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.103 -9.017 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.954 -8.857 -0.898 1.00 0.00 H new ATOM 912 N HIS A 63 4.378 -10.275 -4.193 1.00 0.00 N ATOM 913 CA HIS A 63 3.740 -9.746 -5.394 1.00 0.00 C ATOM 914 C HIS A 63 3.607 -8.228 -5.314 1.00 0.00 C ATOM 915 O HIS A 63 2.974 -7.698 -4.401 1.00 0.00 O ATOM 916 CB HIS A 63 2.363 -10.381 -5.588 1.00 0.00 C ATOM 917 CG HIS A 63 2.408 -11.869 -5.753 1.00 0.00 C ATOM 918 ND1 HIS A 63 1.810 -12.528 -6.806 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.986 -12.827 -4.991 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.016 -13.828 -6.684 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.728 -14.035 -5.591 1.00 0.00 N ATOM 0 H HIS A 63 3.827 -10.168 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 63 4.369 -9.994 -6.249 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.736 -10.137 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.889 -9.940 -6.465 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.290 -12.082 -7.561 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.546 -12.670 -4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.663 -14.591 -7.362 1.00 0.00 H new ATOM 929 N ARG A 64 4.208 -7.535 -6.276 1.00 0.00 N ATOM 930 CA ARG A 64 4.157 -6.078 -6.313 1.00 0.00 C ATOM 931 C ARG A 64 3.130 -5.596 -7.333 1.00 0.00 C ATOM 932 O ARG A 64 3.219 -5.917 -8.519 1.00 0.00 O ATOM 933 CB ARG A 64 5.536 -5.508 -6.652 1.00 0.00 C ATOM 934 CG ARG A 64 5.621 -3.997 -6.510 1.00 0.00 C ATOM 935 CD ARG A 64 6.789 -3.428 -7.300 1.00 0.00 C ATOM 936 NE ARG A 64 6.514 -3.395 -8.734 1.00 0.00 N ATOM 937 CZ ARG A 64 7.463 -3.336 -9.663 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.740 -3.305 -9.309 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.134 -3.310 -10.948 1.00 0.00 N ATOM 0 H ARG A 64 4.735 -7.958 -7.039 1.00 0.00 H new ATOM 0 HA ARG A 64 3.857 -5.724 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.280 -5.968 -6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.792 -5.784 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.692 -3.545 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.730 -3.735 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.007 -2.419 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.679 -4.029 -7.115 1.00 0.00 H new ATOM 0 HE ARG A 64 5.541 -3.418 -9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.996 -3.326 -8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.466 -3.260 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.152 -3.335 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.863 -3.265 -11.660 1.00 0.00 H new ATOM 953 N LEU A 65 2.156 -4.824 -6.865 1.00 0.00 N ATOM 954 CA LEU A 65 1.111 -4.297 -7.735 1.00 0.00 C ATOM 955 C LEU A 65 1.312 -2.805 -7.985 1.00 0.00 C ATOM 956 O LEU A 65 1.686 -2.059 -7.082 1.00 0.00 O ATOM 957 CB LEU A 65 -0.266 -4.541 -7.118 1.00 0.00 C ATOM 958 CG LEU A 65 -0.584 -5.988 -6.737 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.814 -6.047 -5.845 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.787 -6.835 -7.985 1.00 0.00 C ATOM 0 H LEU A 65 2.068 -4.549 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 65 1.171 -4.819 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.357 -3.923 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.024 -4.197 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 65 0.262 -6.392 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.025 -7.084 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.632 -5.474 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.668 -5.625 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.012 -7.861 -7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.616 -6.432 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.121 -6.819 -8.587 1.00 0.00 H new ATOM 972 N ASN A 66 1.057 -2.378 -9.218 1.00 0.00 N ATOM 973 CA ASN A 66 1.208 -0.974 -9.586 1.00 0.00 C ATOM 974 C ASN A 66 -0.127 -0.380 -10.024 1.00 0.00 C ATOM 975 O ASN A 66 -0.960 -1.068 -10.615 1.00 0.00 O ATOM 976 CB ASN A 66 2.236 -0.828 -10.710 1.00 0.00 C ATOM 977 CG ASN A 66 3.662 -0.964 -10.210 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.133 -2.067 -9.936 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.355 0.162 -10.089 1.00 0.00 N ATOM 0 H ASN A 66 0.745 -2.983 -9.978 1.00 0.00 H new ATOM 0 HA ASN A 66 1.558 -0.430 -8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.047 -1.584 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.112 0.144 -11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.319 0.134 -9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.923 1.055 -10.328 1.00 0.00 H new ATOM 986 N ILE A 67 -0.323 0.901 -9.730 1.00 0.00 N ATOM 987 CA ILE A 67 -1.556 1.587 -10.094 1.00 0.00 C ATOM 988 C ILE A 67 -1.289 2.697 -11.105 1.00 0.00 C ATOM 989 O ILE A 67 -0.752 3.755 -10.775 1.00 0.00 O ATOM 990 CB ILE A 67 -2.251 2.190 -8.859 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.232 1.192 -7.699 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.680 2.589 -9.197 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.068 -0.043 -7.949 1.00 0.00 C ATOM 0 H ILE A 67 0.356 1.484 -9.241 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.212 0.840 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.707 3.084 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.202 0.891 -7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.592 1.688 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.158 3.013 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.671 3.330 -9.996 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.236 1.710 -9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.007 -0.705 -7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.106 0.247 -8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.694 -0.563 -8.831 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.674 2.454 -12.366 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.489 3.422 -13.451 1.00 0.00 C ATOM 1007 C PRO A 68 -2.397 4.638 -13.305 1.00 0.00 C ATOM 1008 O PRO A 68 -2.419 5.516 -14.167 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.860 2.626 -14.705 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.784 1.563 -14.219 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.321 1.215 -12.831 1.00 0.00 C ATOM 0 HA PRO A 68 -0.476 3.824 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.343 3.261 -15.448 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.976 2.197 -15.177 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.815 1.917 -14.209 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.752 0.690 -14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.155 0.932 -12.189 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.625 0.376 -12.838 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.145 4.684 -12.207 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.056 5.793 -11.948 1.00 0.00 C ATOM 1021 C ASN A 69 -3.866 6.334 -10.534 1.00 0.00 C ATOM 1022 O ASN A 69 -4.126 5.653 -9.542 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.506 5.346 -12.144 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.470 6.516 -12.191 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.142 7.584 -12.708 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.666 6.319 -11.649 1.00 0.00 N ATOM 0 H ASN A 69 -3.138 3.966 -11.482 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.829 6.590 -12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.586 4.776 -13.069 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.790 4.677 -11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.356 7.070 -11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.894 5.417 -11.231 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.401 7.589 -10.438 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.167 8.250 -9.150 1.00 0.00 C ATOM 1035 C PRO A 70 -4.466 8.570 -8.418 1.00 0.00 C ATOM 1036 O PRO A 70 -4.449 9.074 -7.296 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.441 9.540 -9.541 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.871 9.807 -10.942 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.070 8.459 -11.578 1.00 0.00 C ATOM 0 HA PRO A 70 -2.603 7.618 -8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.713 10.363 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.360 9.421 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.793 10.388 -10.963 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.118 10.384 -11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.872 8.477 -12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.171 8.121 -12.093 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.591 8.273 -9.061 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.898 8.527 -8.470 1.00 0.00 C ATOM 1049 C ALA A 71 -7.464 7.266 -7.825 1.00 0.00 C ATOM 1050 O ALA A 71 -8.240 7.340 -6.873 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.859 9.061 -9.522 1.00 0.00 C ATOM 0 H ALA A 71 -5.623 7.856 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.776 9.279 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.832 9.246 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.468 9.992 -9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.967 8.328 -10.322 1.00 0.00 H new ATOM 1057 N GLN A 72 -7.070 6.111 -8.352 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.540 4.834 -7.828 1.00 0.00 C ATOM 1059 C GLN A 72 -6.850 4.499 -6.510 1.00 0.00 C ATOM 1060 O GLN A 72 -5.720 4.008 -6.495 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.292 3.719 -8.845 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.484 2.322 -8.277 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.862 1.247 -9.146 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.808 1.376 -10.369 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.388 0.178 -8.517 1.00 0.00 N ATOM 0 H GLN A 72 -6.427 6.033 -9.140 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.611 4.917 -7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.966 3.854 -9.691 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.276 3.809 -9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.046 2.276 -7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.550 2.122 -8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.454 0.113 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.958 -0.578 -9.050 1.00 0.00 H new ATOM 1074 N THR A 73 -7.535 4.767 -5.403 1.00 0.00 N ATOM 1075 CA THR A 73 -6.988 4.496 -4.080 1.00 0.00 C ATOM 1076 C THR A 73 -7.483 3.158 -3.544 1.00 0.00 C ATOM 1077 O THR A 73 -7.705 3.003 -2.343 1.00 0.00 O ATOM 1078 CB THR A 73 -7.360 5.606 -3.079 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.783 5.684 -2.942 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.815 6.951 -3.536 1.00 0.00 C ATOM 0 H THR A 73 -8.471 5.172 -5.397 1.00 0.00 H new ATOM 0 HA THR A 73 -5.904 4.463 -4.188 1.00 0.00 H new ATOM 0 HB THR A 73 -6.915 5.360 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.012 6.391 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.090 7.719 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.729 6.897 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.235 7.202 -4.510 1.00 0.00 H new ATOM 1088 N SER A 74 -7.653 2.192 -4.442 1.00 0.00 N ATOM 1089 CA SER A 74 -8.125 0.867 -4.059 1.00 0.00 C ATOM 1090 C SER A 74 -7.790 -0.161 -5.135 1.00 0.00 C ATOM 1091 O SER A 74 -8.000 0.077 -6.325 1.00 0.00 O ATOM 1092 CB SER A 74 -9.635 0.891 -3.814 1.00 0.00 C ATOM 1093 OG SER A 74 -10.320 1.475 -4.908 1.00 0.00 O ATOM 0 H SER A 74 -7.471 2.303 -5.439 1.00 0.00 H new ATOM 0 HA SER A 74 -7.619 0.581 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.997 -0.125 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.850 1.452 -2.905 1.00 0.00 H new ATOM 0 HG SER A 74 -11.283 1.477 -4.728 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.266 -1.306 -4.708 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.902 -2.372 -5.634 1.00 0.00 C ATOM 1101 C VAL A 75 -7.370 -3.729 -5.121 1.00 0.00 C ATOM 1102 O VAL A 75 -7.425 -3.963 -3.913 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.380 -2.420 -5.864 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.651 -2.709 -4.561 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.034 -3.459 -6.920 1.00 0.00 C ATOM 0 H VAL A 75 -7.084 -1.519 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.398 -2.153 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.054 -1.445 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.577 -2.739 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.874 -1.925 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.979 -3.671 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.955 -3.480 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.373 -4.441 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.526 -3.202 -7.858 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.706 -4.622 -6.046 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.169 -5.958 -5.688 1.00 0.00 C ATOM 1117 C VAL A 76 -7.032 -6.971 -5.762 1.00 0.00 C ATOM 1118 O VAL A 76 -6.357 -7.089 -6.785 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.315 -6.421 -6.607 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.671 -7.873 -6.327 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.531 -5.522 -6.435 1.00 0.00 C ATOM 0 H VAL A 76 -7.666 -4.445 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.536 -5.902 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.980 -6.348 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.482 -8.182 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.799 -8.502 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.987 -7.976 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.331 -5.863 -7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.869 -5.562 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.264 -4.496 -6.691 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.825 -7.702 -4.671 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.771 -8.707 -4.612 1.00 0.00 C ATOM 1133 C VAL A 77 -6.355 -10.115 -4.598 1.00 0.00 C ATOM 1134 O VAL A 77 -7.085 -10.485 -3.680 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.884 -8.518 -3.367 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.819 -9.602 -3.301 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.249 -7.136 -3.371 1.00 0.00 C ATOM 0 H VAL A 77 -7.374 -7.617 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.161 -8.579 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.511 -8.603 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.202 -9.452 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.298 -10.580 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.193 -9.552 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.626 -7.019 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.635 -7.020 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.031 -6.376 -3.367 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.026 -10.896 -5.622 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.519 -12.265 -5.727 1.00 0.00 C ATOM 1149 C GLU A 78 -5.363 -13.250 -5.873 1.00 0.00 C ATOM 1150 O GLU A 78 -4.195 -12.862 -5.836 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.470 -12.398 -6.918 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.701 -11.513 -6.816 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.707 -11.783 -7.919 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.262 -12.901 -7.954 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -9.939 -10.877 -8.746 1.00 0.00 O ATOM 0 H GLU A 78 -5.421 -10.605 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.060 -12.500 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.930 -12.151 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.786 -13.437 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.178 -11.670 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.396 -10.467 -6.855 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.697 -14.525 -6.038 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.687 -15.566 -6.190 1.00 0.00 C ATOM 1164 C ASP A 79 -3.878 -15.730 -4.907 1.00 0.00 C ATOM 1165 O ASP A 79 -2.657 -15.888 -4.947 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.756 -15.237 -7.357 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.512 -14.797 -8.595 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.028 -13.660 -8.602 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.589 -15.590 -9.557 1.00 0.00 O ATOM 0 H ASP A 79 -6.659 -14.863 -6.070 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.198 -16.506 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.066 -14.448 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.153 -16.113 -7.595 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.565 -15.689 -3.771 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.910 -15.832 -2.475 1.00 0.00 C ATOM 1176 C LEU A 80 -4.183 -17.208 -1.875 1.00 0.00 C ATOM 1177 O LEU A 80 -4.938 -18.003 -2.437 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.389 -14.741 -1.517 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.278 -13.303 -2.026 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.368 -12.435 -1.418 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.902 -12.732 -1.714 1.00 0.00 C ATOM 0 H LEU A 80 -5.575 -15.558 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.835 -15.729 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.432 -14.937 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.819 -14.822 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.410 -13.310 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.272 -11.416 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.345 -12.832 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.269 -12.434 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.841 -11.708 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.741 -12.739 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.138 -13.339 -2.199 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.566 -17.481 -0.731 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.745 -18.761 -0.053 1.00 0.00 C ATOM 1195 C LEU A 81 -4.705 -18.623 1.124 1.00 0.00 C ATOM 1196 O LEU A 81 -4.688 -17.635 1.859 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.396 -19.295 0.433 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.468 -19.855 -0.645 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.061 -20.035 -0.097 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.007 -21.173 -1.180 1.00 0.00 C ATOM 0 H LEU A 81 -2.938 -16.835 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.172 -19.466 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.874 -18.490 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.581 -20.079 1.167 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.426 -19.142 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.585 -20.434 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.325 -19.072 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.084 -20.728 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.334 -21.557 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.079 -21.894 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.995 -21.014 -1.612 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.561 -19.639 1.311 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.543 -19.656 2.400 1.00 0.00 C ATOM 1214 C PRO A 82 -5.889 -19.827 3.767 1.00 0.00 C ATOM 1215 O PRO A 82 -4.871 -20.505 3.898 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.417 -20.868 2.070 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.540 -21.759 1.260 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.637 -20.848 0.474 1.00 0.00 C ATOM 0 HA PRO A 82 -7.096 -18.719 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.760 -21.367 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.306 -20.575 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.961 -22.424 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.131 -22.390 0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.654 -21.292 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.047 -20.629 -0.512 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.482 -19.207 4.783 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.956 -19.291 6.141 1.00 0.00 C ATOM 1228 C ASN A 83 -4.457 -19.007 6.162 1.00 0.00 C ATOM 1229 O ASN A 83 -3.673 -19.791 6.697 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.232 -20.675 6.732 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.694 -20.871 7.087 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -8.579 -20.534 6.156 1.00 0.00 O flip ATOM 1233 ND2 ASN A 83 -8.022 -21.320 8.185 1.00 0.00 N flip ATOM 0 H ASN A 83 -7.326 -18.642 4.692 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.459 -18.537 6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.929 -21.440 6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.622 -20.814 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.307 -21.566 8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.009 -21.447 8.410 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.066 -17.878 5.578 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.662 -17.488 5.532 1.00 0.00 C ATOM 1242 C HIS A 84 -2.513 -15.975 5.656 1.00 0.00 C ATOM 1243 O HIS A 84 -3.205 -15.216 4.978 1.00 0.00 O ATOM 1244 CB HIS A 84 -2.020 -17.970 4.230 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.563 -19.396 4.280 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.429 -20.459 4.429 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.323 -19.932 4.197 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.741 -21.586 4.438 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.460 -21.294 4.298 1.00 0.00 N ATOM 0 H HIS A 84 -4.702 -17.218 5.130 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.153 -17.955 6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.737 -17.855 3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.168 -17.332 3.997 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.442 -20.386 4.518 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.602 -19.389 4.074 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.155 -22.578 4.542 1.00 0.00 H new ATOM 1257 N SER A 85 -1.607 -15.544 6.528 1.00 0.00 N ATOM 1258 CA SER A 85 -1.372 -14.121 6.745 1.00 0.00 C ATOM 1259 C SER A 85 -0.625 -13.508 5.564 1.00 0.00 C ATOM 1260 O SER A 85 0.109 -14.197 4.854 1.00 0.00 O ATOM 1261 CB SER A 85 -0.576 -13.905 8.034 1.00 0.00 C ATOM 1262 OG SER A 85 0.432 -14.890 8.183 1.00 0.00 O ATOM 0 H SER A 85 -1.024 -16.159 7.095 1.00 0.00 H new ATOM 0 HA SER A 85 -2.340 -13.628 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.122 -12.914 8.023 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.249 -13.937 8.890 1.00 0.00 H new ATOM 0 HG SER A 85 0.820 -14.828 9.081 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.817 -12.210 5.360 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.165 -11.503 4.265 1.00 0.00 C ATOM 1270 C TYR A 86 0.102 -10.048 4.637 1.00 0.00 C ATOM 1271 O TYR A 86 -0.824 -9.288 4.923 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.027 -11.569 3.003 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.967 -12.905 2.297 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.093 -13.223 1.457 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.971 -13.850 2.472 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.150 -14.442 0.811 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.921 -15.072 1.831 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.858 -15.364 1.001 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.804 -16.580 0.359 1.00 0.00 O ATOM 0 H TYR A 86 -1.420 -11.626 5.939 1.00 0.00 H new ATOM 0 HA TYR A 86 0.791 -11.990 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.062 -11.354 3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.706 -10.788 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.886 -12.505 1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.805 -13.625 3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.980 -14.672 0.160 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.709 -15.795 1.978 1.00 0.00 H new ATOM 0 HH TYR A 86 0.132 -16.836 0.222 1.00 0.00 H new ATOM 1289 N VAL A 87 1.375 -9.666 4.631 1.00 0.00 N ATOM 1290 CA VAL A 87 1.765 -8.302 4.966 1.00 0.00 C ATOM 1291 C VAL A 87 1.629 -7.379 3.760 1.00 0.00 C ATOM 1292 O VAL A 87 2.433 -7.434 2.829 1.00 0.00 O ATOM 1293 CB VAL A 87 3.216 -8.244 5.482 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.168 -8.862 4.469 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.613 -6.809 5.793 1.00 0.00 C ATOM 0 H VAL A 87 2.154 -10.282 4.398 1.00 0.00 H new ATOM 0 HA VAL A 87 1.092 -7.965 5.755 1.00 0.00 H new ATOM 0 HB VAL A 87 3.279 -8.822 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.188 -8.812 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.894 -9.904 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.105 -8.314 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.640 -6.786 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.534 -6.206 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.949 -6.405 6.557 1.00 0.00 H new ATOM 1305 N PHE A 88 0.607 -6.531 3.783 1.00 0.00 N ATOM 1306 CA PHE A 88 0.364 -5.596 2.691 1.00 0.00 C ATOM 1307 C PHE A 88 1.053 -4.260 2.956 1.00 0.00 C ATOM 1308 O PHE A 88 0.804 -3.612 3.972 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.138 -5.379 2.501 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.821 -6.507 1.781 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -1.922 -7.759 2.366 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.362 -6.316 0.520 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.548 -8.799 1.706 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.990 -7.352 -0.145 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.084 -8.595 0.450 1.00 0.00 C ATOM 0 H PHE A 88 -0.067 -6.472 4.546 1.00 0.00 H new ATOM 0 HA PHE A 88 0.780 -6.025 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.604 -5.247 3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.296 -4.455 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.507 -7.924 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.292 -5.346 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.618 -9.771 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.407 -7.190 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.576 -9.406 -0.066 1.00 0.00 H new ATOM 1325 N ARG A 89 1.920 -3.855 2.034 1.00 0.00 N ATOM 1326 CA ARG A 89 2.647 -2.598 2.168 1.00 0.00 C ATOM 1327 C ARG A 89 2.362 -1.677 0.985 1.00 0.00 C ATOM 1328 O ARG A 89 2.919 -1.851 -0.099 1.00 0.00 O ATOM 1329 CB ARG A 89 4.150 -2.862 2.272 1.00 0.00 C ATOM 1330 CG ARG A 89 4.561 -3.535 3.571 1.00 0.00 C ATOM 1331 CD ARG A 89 6.063 -3.443 3.795 1.00 0.00 C ATOM 1332 NE ARG A 89 6.548 -4.490 4.689 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.713 -5.755 4.318 1.00 0.00 C ATOM 1334 NH1 ARG A 89 6.434 -6.127 3.077 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.159 -6.651 5.190 1.00 0.00 N ATOM 0 H ARG A 89 2.136 -4.379 1.186 1.00 0.00 H new ATOM 0 HA ARG A 89 2.308 -2.106 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.459 -3.488 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.684 -1.916 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.038 -3.068 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.258 -4.582 3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.578 -3.517 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.308 -2.467 4.214 1.00 0.00 H new ATOM 0 HE ARG A 89 6.773 -4.237 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.092 -5.441 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.562 -7.099 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.375 -6.369 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.285 -7.622 4.904 1.00 0.00 H new ATOM 1349 N VAL A 90 1.490 -0.697 1.201 1.00 0.00 N ATOM 1350 CA VAL A 90 1.131 0.252 0.154 1.00 0.00 C ATOM 1351 C VAL A 90 1.968 1.522 0.253 1.00 0.00 C ATOM 1352 O VAL A 90 2.486 1.855 1.320 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.361 0.627 0.223 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.695 1.685 -0.817 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.229 -0.608 0.037 1.00 0.00 C ATOM 0 H VAL A 90 1.019 -0.540 2.092 1.00 0.00 H new ATOM 0 HA VAL A 90 1.331 -0.238 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.568 1.044 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.754 1.937 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.098 2.578 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.474 1.300 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.280 -0.325 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.021 -1.056 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.009 -1.330 0.824 1.00 0.00 H new ATOM 1365 N ARG A 91 2.097 2.228 -0.865 1.00 0.00 N ATOM 1366 CA ARG A 91 2.872 3.463 -0.904 1.00 0.00 C ATOM 1367 C ARG A 91 2.512 4.292 -2.133 1.00 0.00 C ATOM 1368 O ARG A 91 1.974 3.771 -3.110 1.00 0.00 O ATOM 1369 CB ARG A 91 4.370 3.150 -0.908 1.00 0.00 C ATOM 1370 CG ARG A 91 4.794 2.214 -2.028 1.00 0.00 C ATOM 1371 CD ARG A 91 6.260 2.400 -2.385 1.00 0.00 C ATOM 1372 NE ARG A 91 6.715 1.415 -3.362 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.209 0.227 -3.032 1.00 0.00 C ATOM 1374 NH1 ARG A 91 7.310 -0.122 -1.757 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.602 -0.616 -3.979 1.00 0.00 N ATOM 0 H ARG A 91 1.675 1.966 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 91 2.631 4.042 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.927 4.083 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.642 2.704 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.620 1.181 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.178 2.396 -2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.411 3.403 -2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.866 2.321 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 91 6.650 1.652 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.008 0.522 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.690 -1.035 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.525 -0.352 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.981 -1.528 -3.725 1.00 0.00 H new ATOM 1389 N ALA A 92 2.812 5.585 -2.077 1.00 0.00 N ATOM 1390 CA ALA A 92 2.522 6.486 -3.186 1.00 0.00 C ATOM 1391 C ALA A 92 3.807 7.002 -3.825 1.00 0.00 C ATOM 1392 O ALA A 92 4.870 6.978 -3.207 1.00 0.00 O ATOM 1393 CB ALA A 92 1.663 7.649 -2.710 1.00 0.00 C ATOM 0 H ALA A 92 3.256 6.033 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 92 1.971 5.926 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.454 8.314 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.725 7.267 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.194 8.200 -1.934 1.00 0.00 H new ATOM 1399 N GLN A 93 3.699 7.466 -5.066 1.00 0.00 N ATOM 1400 CA GLN A 93 4.854 7.986 -5.789 1.00 0.00 C ATOM 1401 C GLN A 93 4.590 9.402 -6.291 1.00 0.00 C ATOM 1402 O GLN A 93 3.477 9.726 -6.706 1.00 0.00 O ATOM 1403 CB GLN A 93 5.200 7.071 -6.965 1.00 0.00 C ATOM 1404 CG GLN A 93 6.402 7.542 -7.768 1.00 0.00 C ATOM 1405 CD GLN A 93 7.009 6.438 -8.611 1.00 0.00 C ATOM 1406 OE1 GLN A 93 6.158 5.619 -9.217 1.00 0.00 O flip ATOM 1407 NE2 GLN A 93 8.231 6.321 -8.715 1.00 0.00 N flip ATOM 0 H GLN A 93 2.825 7.493 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 93 5.699 8.016 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.396 6.067 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.336 7.001 -7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.101 8.365 -8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.159 7.932 -7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.849 6.973 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.625 5.572 -9.284 1.00 0.00 H new ATOM 1416 N SER A 94 5.619 10.241 -6.249 1.00 0.00 N ATOM 1417 CA SER A 94 5.497 11.624 -6.696 1.00 0.00 C ATOM 1418 C SER A 94 6.724 12.045 -7.499 1.00 0.00 C ATOM 1419 O SER A 94 7.773 11.406 -7.430 1.00 0.00 O ATOM 1420 CB SER A 94 5.314 12.555 -5.497 1.00 0.00 C ATOM 1421 OG SER A 94 6.537 12.744 -4.806 1.00 0.00 O ATOM 0 H SER A 94 6.547 9.988 -5.910 1.00 0.00 H new ATOM 0 HA SER A 94 4.620 11.696 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.931 13.518 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.570 12.137 -4.818 1.00 0.00 H new ATOM 0 HG SER A 94 6.502 13.584 -4.302 1.00 0.00 H new ATOM 1427 N GLN A 95 6.582 13.126 -8.261 1.00 0.00 N ATOM 1428 CA GLN A 95 7.678 13.633 -9.078 1.00 0.00 C ATOM 1429 C GLN A 95 9.020 13.408 -8.389 1.00 0.00 C ATOM 1430 O GLN A 95 10.022 13.119 -9.042 1.00 0.00 O ATOM 1431 CB GLN A 95 7.481 15.122 -9.365 1.00 0.00 C ATOM 1432 CG GLN A 95 8.550 15.714 -10.269 1.00 0.00 C ATOM 1433 CD GLN A 95 8.312 15.406 -11.734 1.00 0.00 C ATOM 1434 OE1 GLN A 95 7.292 15.794 -12.304 1.00 0.00 O ATOM 1435 NE2 GLN A 95 9.255 14.705 -12.352 1.00 0.00 N ATOM 0 H GLN A 95 5.720 13.666 -8.329 1.00 0.00 H new ATOM 0 HA GLN A 95 7.679 13.086 -10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.505 15.268 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.472 15.667 -8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.581 16.795 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.525 15.326 -9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.084 14.404 -11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.150 14.468 -13.338 1.00 0.00 H new ATOM 1444 N GLU A 96 9.031 13.544 -7.067 1.00 0.00 N ATOM 1445 CA GLU A 96 10.251 13.357 -6.290 1.00 0.00 C ATOM 1446 C GLU A 96 10.660 11.887 -6.265 1.00 0.00 C ATOM 1447 O GLU A 96 11.752 11.528 -6.702 1.00 0.00 O ATOM 1448 CB GLU A 96 10.055 13.868 -4.861 1.00 0.00 C ATOM 1449 CG GLU A 96 9.819 15.366 -4.777 1.00 0.00 C ATOM 1450 CD GLU A 96 10.764 16.156 -5.661 1.00 0.00 C ATOM 1451 OE1 GLU A 96 10.518 16.220 -6.884 1.00 0.00 O ATOM 1452 OE2 GLU A 96 11.749 16.711 -5.131 1.00 0.00 O ATOM 0 H GLU A 96 8.209 13.783 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 96 11.047 13.929 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.208 13.350 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.934 13.614 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.791 15.585 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.937 15.691 -3.743 1.00 0.00 H new ATOM 1459 N GLY A 97 9.773 11.041 -5.750 1.00 0.00 N ATOM 1460 CA GLY A 97 10.059 9.620 -5.677 1.00 0.00 C ATOM 1461 C GLY A 97 9.122 8.887 -4.738 1.00 0.00 C ATOM 1462 O GLY A 97 8.187 9.478 -4.198 1.00 0.00 O ATOM 0 H GLY A 97 8.862 11.314 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.982 9.186 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.087 9.476 -5.345 1.00 0.00 H new ATOM 1466 N TRP A 98 9.370 7.597 -4.545 1.00 0.00 N ATOM 1467 CA TRP A 98 8.539 6.782 -3.666 1.00 0.00 C ATOM 1468 C TRP A 98 8.790 7.130 -2.203 1.00 0.00 C ATOM 1469 O TRP A 98 9.920 7.056 -1.722 1.00 0.00 O ATOM 1470 CB TRP A 98 8.813 5.296 -3.903 1.00 0.00 C ATOM 1471 CG TRP A 98 8.244 4.786 -5.193 1.00 0.00 C ATOM 1472 CD1 TRP A 98 8.937 4.472 -6.327 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.865 4.533 -5.480 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.071 4.039 -7.302 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.794 4.066 -6.807 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.683 4.653 -4.745 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.588 3.722 -7.412 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.486 4.312 -5.347 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.446 3.850 -6.669 1.00 0.00 C ATOM 0 H TRP A 98 10.140 7.093 -4.985 1.00 0.00 H new ATOM 0 HA TRP A 98 7.495 6.993 -3.897 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.890 5.127 -3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.395 4.720 -3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.008 4.552 -6.441 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.336 3.745 -8.242 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.704 5.006 -3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.555 3.367 -8.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.566 4.403 -4.789 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.495 3.590 -7.110 1.00 0.00 H new ATOM 1490 N GLY A 99 7.728 7.511 -1.499 1.00 0.00 N ATOM 1491 CA GLY A 99 7.855 7.865 -0.097 1.00 0.00 C ATOM 1492 C GLY A 99 7.814 6.653 0.813 1.00 0.00 C ATOM 1493 O GLY A 99 8.391 5.612 0.497 1.00 0.00 O ATOM 0 H GLY A 99 6.782 7.581 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.793 8.399 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.051 8.548 0.176 1.00 0.00 H new ATOM 1497 N ARG A 100 7.133 6.788 1.946 1.00 0.00 N ATOM 1498 CA ARG A 100 7.023 5.696 2.906 1.00 0.00 C ATOM 1499 C ARG A 100 5.877 4.759 2.534 1.00 0.00 C ATOM 1500 O ARG A 100 5.229 4.935 1.503 1.00 0.00 O ATOM 1501 CB ARG A 100 6.807 6.248 4.316 1.00 0.00 C ATOM 1502 CG ARG A 100 8.049 6.886 4.917 1.00 0.00 C ATOM 1503 CD ARG A 100 8.068 6.750 6.431 1.00 0.00 C ATOM 1504 NE ARG A 100 9.302 7.271 7.012 1.00 0.00 N ATOM 1505 CZ ARG A 100 10.446 6.596 7.034 1.00 0.00 C ATOM 1506 NH1 ARG A 100 10.513 5.380 6.510 1.00 0.00 N ATOM 1507 NH2 ARG A 100 11.527 7.138 7.581 1.00 0.00 N ATOM 0 H ARG A 100 6.649 7.643 2.222 1.00 0.00 H new ATOM 0 HA ARG A 100 7.954 5.130 2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.006 6.987 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.473 5.440 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.939 6.418 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.085 7.941 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.216 7.282 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.955 5.700 6.702 1.00 0.00 H new ATOM 0 HE ARG A 100 9.285 8.204 7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.685 4.960 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.393 4.864 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.480 8.073 7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.405 6.619 7.598 1.00 0.00 H new ATOM 1521 N GLU A 101 5.635 3.764 3.381 1.00 0.00 N ATOM 1522 CA GLU A 101 4.568 2.799 3.140 1.00 0.00 C ATOM 1523 C GLU A 101 3.823 2.478 4.432 1.00 0.00 C ATOM 1524 O GLU A 101 4.258 2.852 5.522 1.00 0.00 O ATOM 1525 CB GLU A 101 5.139 1.515 2.535 1.00 0.00 C ATOM 1526 CG GLU A 101 6.270 0.909 3.349 1.00 0.00 C ATOM 1527 CD GLU A 101 6.000 0.946 4.840 1.00 0.00 C ATOM 1528 OE1 GLU A 101 5.176 0.136 5.315 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.613 1.784 5.533 1.00 0.00 O ATOM 0 H GLU A 101 6.162 3.605 4.239 1.00 0.00 H new ATOM 0 HA GLU A 101 3.864 3.242 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.338 0.782 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.500 1.727 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.424 -0.124 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.194 1.447 3.137 1.00 0.00 H new ATOM 1536 N ARG A 102 2.698 1.782 4.302 1.00 0.00 N ATOM 1537 CA ARG A 102 1.891 1.412 5.459 1.00 0.00 C ATOM 1538 C ARG A 102 1.648 -0.095 5.492 1.00 0.00 C ATOM 1539 O ARG A 102 1.129 -0.670 4.536 1.00 0.00 O ATOM 1540 CB ARG A 102 0.554 2.154 5.433 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.380 1.766 6.568 1.00 0.00 C ATOM 1542 CD ARG A 102 0.202 2.143 7.922 1.00 0.00 C ATOM 1543 NE ARG A 102 0.114 3.579 8.174 1.00 0.00 N ATOM 1544 CZ ARG A 102 0.842 4.210 9.089 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.707 3.536 9.833 1.00 0.00 N ATOM 1546 NH2 ARG A 102 0.705 5.519 9.260 1.00 0.00 N ATOM 0 H ARG A 102 2.325 1.463 3.408 1.00 0.00 H new ATOM 0 HA ARG A 102 2.438 1.695 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.742 3.227 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.058 1.958 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.342 2.260 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.566 0.692 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.328 1.604 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.245 1.830 7.968 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.542 4.127 7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.815 2.530 9.704 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.264 4.023 10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.041 6.041 8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.264 6.003 9.963 1.00 0.00 H new ATOM 1560 N GLU A 103 2.028 -0.726 6.599 1.00 0.00 N ATOM 1561 CA GLU A 103 1.852 -2.165 6.755 1.00 0.00 C ATOM 1562 C GLU A 103 0.391 -2.508 7.031 1.00 0.00 C ATOM 1563 O GLU A 103 -0.275 -1.843 7.823 1.00 0.00 O ATOM 1564 CB GLU A 103 2.733 -2.688 7.891 1.00 0.00 C ATOM 1565 CG GLU A 103 3.031 -4.175 7.795 1.00 0.00 C ATOM 1566 CD GLU A 103 3.561 -4.750 9.094 1.00 0.00 C ATOM 1567 OE1 GLU A 103 2.739 -5.176 9.932 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.796 -4.772 9.273 1.00 0.00 O ATOM 0 H GLU A 103 2.459 -0.264 7.400 1.00 0.00 H new ATOM 0 HA GLU A 103 2.150 -2.645 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.673 -2.137 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.242 -2.485 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.122 -4.706 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.760 -4.345 7.003 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.101 -3.552 6.370 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.480 -3.965 6.557 1.00 0.00 C ATOM 1577 C GLY A 104 -1.650 -5.469 6.474 1.00 0.00 C ATOM 1578 O GLY A 104 -2.108 -5.994 5.460 1.00 0.00 O ATOM 0 H GLY A 104 0.430 -4.119 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.833 -3.615 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.104 -3.489 5.801 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.280 -6.165 7.545 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.393 -7.617 7.589 1.00 0.00 C ATOM 1584 C VAL A 105 -2.854 -8.053 7.632 1.00 0.00 C ATOM 1585 O VAL A 105 -3.677 -7.433 8.305 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.659 -8.201 8.811 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.623 -9.720 8.738 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.748 -7.631 8.908 1.00 0.00 C ATOM 0 H VAL A 105 -0.899 -5.746 8.393 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.929 -7.998 6.679 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.205 -7.918 9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.101 -10.114 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.642 -10.108 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.101 -10.028 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.253 -8.054 9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.306 -7.883 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.695 -6.547 9.011 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.167 -9.124 6.911 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.528 -9.644 6.868 1.00 0.00 C ATOM 1600 C ILE A 106 -4.546 -11.156 7.064 1.00 0.00 C ATOM 1601 O ILE A 106 -3.614 -11.856 6.667 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.220 -9.303 5.535 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.701 -9.681 5.592 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.529 -10.017 4.382 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.546 -8.697 6.371 1.00 0.00 C ATOM 0 H ILE A 106 -2.497 -9.649 6.349 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.073 -9.168 7.683 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.146 -8.228 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.088 -9.755 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.799 -10.668 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.029 -9.766 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.487 -9.702 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.576 -11.094 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.584 -9.028 6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.185 -8.640 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.479 -7.713 5.908 1.00 0.00 H new ATOM 1617 N THR A 107 -5.614 -11.655 7.679 1.00 0.00 N ATOM 1618 CA THR A 107 -5.754 -13.084 7.928 1.00 0.00 C ATOM 1619 C THR A 107 -6.967 -13.653 7.201 1.00 0.00 C ATOM 1620 O THR A 107 -8.109 -13.389 7.579 1.00 0.00 O ATOM 1621 CB THR A 107 -5.886 -13.382 9.433 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.696 -12.976 10.119 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.133 -14.864 9.672 1.00 0.00 C ATOM 0 H THR A 107 -6.395 -11.090 8.014 1.00 0.00 H new ATOM 0 HA THR A 107 -4.850 -13.560 7.549 1.00 0.00 H new ATOM 0 HB THR A 107 -6.737 -12.821 9.818 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.789 -13.167 11.076 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.223 -15.050 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.054 -15.164 9.173 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.299 -15.441 9.272 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.712 -14.434 6.156 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.785 -15.041 5.378 1.00 0.00 C ATOM 1633 C ILE A 108 -8.688 -15.897 6.260 1.00 0.00 C ATOM 1634 O ILE A 108 -8.234 -16.855 6.884 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.228 -15.911 4.235 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.302 -15.085 3.341 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.367 -16.507 3.421 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.032 -14.077 2.481 1.00 0.00 C ATOM 0 H ILE A 108 -5.773 -14.661 5.829 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.367 -14.224 4.952 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.650 -16.728 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.579 -14.561 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.737 -15.758 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.958 -17.119 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.991 -17.125 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.969 -15.704 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.312 -13.528 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.735 -14.596 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.575 -13.380 3.119 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.969 -15.544 6.304 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.936 -16.282 7.109 1.00 0.00 C ATOM 1652 C GLU A 109 -12.162 -16.656 6.280 1.00 0.00 C ATOM 1653 O GLU A 109 -12.960 -15.795 5.910 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.361 -15.452 8.322 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.331 -15.435 9.439 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.701 -14.482 10.559 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.080 -13.331 10.257 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.613 -14.887 11.737 1.00 0.00 O ATOM 0 H GLU A 109 -10.361 -14.753 5.793 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.459 -17.199 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.554 -14.428 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.300 -15.847 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.223 -16.441 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.362 -15.150 9.030 1.00 0.00 H new ATOM 1665 N SER A 110 -12.302 -17.945 5.991 1.00 0.00 N ATOM 1666 CA SER A 110 -13.427 -18.434 5.202 1.00 0.00 C ATOM 1667 C SER A 110 -14.560 -18.908 6.107 1.00 0.00 C ATOM 1668 O SER A 110 -15.664 -18.366 6.072 1.00 0.00 O ATOM 1669 CB SER A 110 -12.978 -19.575 4.287 1.00 0.00 C ATOM 1670 OG SER A 110 -14.051 -20.037 3.485 1.00 0.00 O ATOM 0 H SER A 110 -11.651 -18.670 6.291 1.00 0.00 H new ATOM 0 HA SER A 110 -13.795 -17.611 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.163 -19.234 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.589 -20.397 4.889 1.00 0.00 H new ATOM 0 HG SER A 110 -13.738 -20.765 2.908 1.00 0.00 H new ATOM 1676 N GLN A 111 -14.276 -19.924 6.916 1.00 0.00 N ATOM 1677 CA GLN A 111 -15.271 -20.473 7.830 1.00 0.00 C ATOM 1678 C GLN A 111 -15.176 -19.810 9.200 1.00 0.00 C ATOM 1679 O GLN A 111 -14.457 -20.281 10.081 1.00 0.00 O ATOM 1680 CB GLN A 111 -15.089 -21.985 7.968 1.00 0.00 C ATOM 1681 CG GLN A 111 -16.154 -22.651 8.824 1.00 0.00 C ATOM 1682 CD GLN A 111 -16.009 -24.159 8.868 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -16.196 -24.842 7.861 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -15.673 -24.688 10.039 1.00 0.00 N ATOM 0 H GLN A 111 -13.366 -20.383 6.957 1.00 0.00 H new ATOM 0 HA GLN A 111 -16.259 -20.270 7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -15.098 -22.436 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -14.109 -22.187 8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -16.100 -22.255 9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -17.140 -22.396 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -15.528 -24.084 10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -15.560 -25.698 10.129 1.00 0.00 H new ATOM 1693 N VAL A 112 -15.906 -18.712 9.373 1.00 0.00 N ATOM 1694 CA VAL A 112 -15.904 -17.984 10.636 1.00 0.00 C ATOM 1695 C VAL A 112 -16.207 -18.914 11.806 1.00 0.00 C ATOM 1696 O VAL A 112 -17.076 -19.781 11.715 1.00 0.00 O ATOM 1697 CB VAL A 112 -16.934 -16.839 10.625 1.00 0.00 C ATOM 1698 CG1 VAL A 112 -18.321 -17.370 10.297 1.00 0.00 C ATOM 1699 CG2 VAL A 112 -16.935 -16.111 11.961 1.00 0.00 C ATOM 0 H VAL A 112 -16.506 -18.308 8.654 1.00 0.00 H new ATOM 0 HA VAL A 112 -14.906 -17.564 10.758 1.00 0.00 H new ATOM 0 HB VAL A 112 -16.651 -16.127 9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -19.035 -16.546 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -18.307 -17.842 9.314 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -18.617 -18.103 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -17.668 -15.305 11.936 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -17.192 -16.811 12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -15.945 -15.695 12.149 1.00 0.00 H new ATOM 1709 N SER A 113 -15.484 -18.726 12.906 1.00 0.00 N ATOM 1710 CA SER A 113 -15.673 -19.550 14.094 1.00 0.00 C ATOM 1711 C SER A 113 -15.335 -18.766 15.358 1.00 0.00 C ATOM 1712 O SER A 113 -14.431 -17.931 15.362 1.00 0.00 O ATOM 1713 CB SER A 113 -14.804 -20.807 14.013 1.00 0.00 C ATOM 1714 OG SER A 113 -15.163 -21.741 15.015 1.00 0.00 O ATOM 0 H SER A 113 -14.763 -18.011 12.999 1.00 0.00 H new ATOM 0 HA SER A 113 -16.722 -19.844 14.139 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.912 -21.265 13.030 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.754 -20.535 14.124 1.00 0.00 H new ATOM 0 HG SER A 113 -14.594 -22.536 14.940 1.00 0.00 H new ATOM 1720 N GLY A 114 -16.069 -19.040 16.432 1.00 0.00 N ATOM 1721 CA GLY A 114 -15.833 -18.353 17.688 1.00 0.00 C ATOM 1722 C GLY A 114 -16.569 -18.995 18.848 1.00 0.00 C ATOM 1723 O GLY A 114 -17.704 -19.452 18.714 1.00 0.00 O ATOM 0 H GLY A 114 -16.823 -19.726 16.454 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.764 -18.346 17.899 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.146 -17.313 17.594 1.00 0.00 H new ATOM 1727 N PRO A 115 -15.914 -19.037 20.018 1.00 0.00 N ATOM 1728 CA PRO A 115 -16.494 -19.627 21.228 1.00 0.00 C ATOM 1729 C PRO A 115 -17.641 -18.793 21.788 1.00 0.00 C ATOM 1730 O PRO A 115 -17.863 -17.660 21.360 1.00 0.00 O ATOM 1731 CB PRO A 115 -15.320 -19.649 22.210 1.00 0.00 C ATOM 1732 CG PRO A 115 -14.418 -18.557 21.746 1.00 0.00 C ATOM 1733 CD PRO A 115 -14.558 -18.512 20.250 1.00 0.00 C ATOM 0 HA PRO A 115 -16.925 -20.609 21.035 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -15.656 -19.477 23.233 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.812 -20.614 22.199 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.698 -17.603 22.193 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.386 -18.754 22.036 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.449 -17.498 19.867 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.801 -19.122 19.757 1.00 0.00 H new ATOM 1741 N SER A 116 -18.366 -19.360 22.746 1.00 0.00 N ATOM 1742 CA SER A 116 -19.493 -18.668 23.363 1.00 0.00 C ATOM 1743 C SER A 116 -19.295 -18.543 24.870 1.00 0.00 C ATOM 1744 O SER A 116 -18.601 -19.352 25.486 1.00 0.00 O ATOM 1745 CB SER A 116 -20.797 -19.412 23.069 1.00 0.00 C ATOM 1746 OG SER A 116 -21.320 -19.045 21.804 1.00 0.00 O ATOM 0 H SER A 116 -18.194 -20.296 23.112 1.00 0.00 H new ATOM 0 HA SER A 116 -19.550 -17.666 22.937 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.620 -20.487 23.095 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.528 -19.191 23.846 1.00 0.00 H new ATOM 0 HG SER A 116 -22.152 -19.536 21.639 1.00 0.00 H new ATOM 1752 N SER A 117 -19.909 -17.521 25.458 1.00 0.00 N ATOM 1753 CA SER A 117 -19.798 -17.286 26.893 1.00 0.00 C ATOM 1754 C SER A 117 -19.713 -18.605 27.655 1.00 0.00 C ATOM 1755 O SER A 117 -20.572 -19.474 27.512 1.00 0.00 O ATOM 1756 CB SER A 117 -20.994 -16.472 27.392 1.00 0.00 C ATOM 1757 OG SER A 117 -20.895 -16.221 28.783 1.00 0.00 O ATOM 0 H SER A 117 -20.488 -16.843 24.963 1.00 0.00 H new ATOM 0 HA SER A 117 -18.883 -16.722 27.074 1.00 0.00 H new ATOM 0 HB2 SER A 117 -21.046 -15.527 26.851 1.00 0.00 H new ATOM 0 HB3 SER A 117 -21.918 -17.011 27.181 1.00 0.00 H new ATOM 0 HG SER A 117 -21.670 -15.698 29.077 1.00 0.00 H new ATOM 1763 N GLY A 118 -18.669 -18.747 28.466 1.00 0.00 N ATOM 1764 CA GLY A 118 -18.490 -19.962 29.239 1.00 0.00 C ATOM 1765 C GLY A 118 -17.205 -20.687 28.890 1.00 0.00 C ATOM 1766 O GLY A 118 -16.971 -21.805 29.349 1.00 0.00 O ATOM 0 H GLY A 118 -17.944 -18.042 28.601 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.488 -19.716 30.301 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -19.337 -20.626 29.067 1.00 0.00 H new TER 1770 GLY A 118