USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 777 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 71 SER OG : rot -42:sc= 0.0182 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 38 GLN : amide:sc= -13! C(o=-13!,f=-24!) USER MOD Set 3.2: A 89 TYR OH : rot 180:sc= -0.0248 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 47 THR OG1 : rot -58:sc= 0.861 USER MOD Set 5.1: A 31 SER OG : rot -110:sc= 0.513 USER MOD Set 5.2: A 32 ASN : amide:sc= -5.89! C(o=-5.4!,f=-6!) USER MOD Set 6.1: A 6 GLN : amide:sc= -8.29! C(o=-8.9!,f=-13!) USER MOD Set 6.2: A 106 THR OG1 : rot -62:sc= -0.659 USER MOD Single : A 1 ASN :FLIP amide:sc= -0.145 F(o=-0.77,f=-0.15) USER MOD Single : A 1 ASN N :NH3+ -114:sc= 0.101 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 9 SER OG : rot 180:sc= -0.478 USER MOD Single : A 11 SER OG : rot 180:sc= -0.551 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 39:sc= 0.0383 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -152:sc= 0.359 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.674 F(o=-7.4!,f=-0.67) USER MOD Single : A 43 SER OG : rot 180:sc= -0.463 USER MOD Single : A 44 SER OG : rot 180:sc= -0.502 USER MOD Single : A 46 THR OG1 : rot 44:sc= 0.343 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -2.61 F(o=-6.1!,f=-2.6) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0601 F(o=-1.7!,f=-0.06) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.357! C(o=-0.36!,f=-4.5!) USER MOD Single : A 75 SER OG : rot 100:sc= -0.105 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 28:sc= 0.0593 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 93 SER OG : rot 170:sc= -0.693 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00201 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.9!) USER MOD Single : A 99 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.011) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 69.818 10.170 -16.373 1.00 0.00 N ATOM 2 CA ASN A 1 70.174 8.799 -15.913 1.00 0.00 C ATOM 3 C ASN A 1 70.676 8.878 -14.473 1.00 0.00 C ATOM 4 O ASN A 1 71.095 9.943 -14.017 1.00 0.00 O ATOM 5 CB ASN A 1 71.252 8.223 -16.837 1.00 0.00 C ATOM 6 CG ASN A 1 71.216 6.699 -16.813 1.00 0.00 C ATOM 7 OD1 ASN A 1 70.070 6.085 -16.933 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 72.261 6.050 -16.758 1.00 0.00 N flip ATOM 0 H1 ASN A 1 68.793 10.226 -16.537 1.00 0.00 H new ATOM 0 H2 ASN A 1 70.090 10.862 -15.646 1.00 0.00 H new ATOM 0 H3 ASN A 1 70.322 10.381 -17.258 1.00 0.00 H new ATOM 0 HA ASN A 1 69.303 8.144 -15.947 1.00 0.00 H new ATOM 0 HB2 ASN A 1 71.096 8.580 -17.855 1.00 0.00 H new ATOM 0 HB3 ASN A 1 72.235 8.575 -16.523 1.00 0.00 H new ATOM 0 HD21 ASN A 1 73.156 6.531 -16.664 1.00 0.00 H new ATOM 0 HD22 ASN A 1 72.232 5.032 -16.806 1.00 0.00 H new ATOM 17 N PHE A 2 70.786 7.725 -13.819 1.00 0.00 N ATOM 18 CA PHE A 2 71.310 7.663 -12.458 1.00 0.00 C ATOM 19 C PHE A 2 72.365 6.564 -12.376 1.00 0.00 C ATOM 20 O PHE A 2 72.046 5.380 -12.493 1.00 0.00 O ATOM 21 CB PHE A 2 70.160 7.369 -11.487 1.00 0.00 C ATOM 22 CG PHE A 2 70.471 7.916 -10.112 1.00 0.00 C ATOM 23 CD1 PHE A 2 71.515 7.366 -9.358 1.00 0.00 C ATOM 24 CD2 PHE A 2 69.699 8.955 -9.578 1.00 0.00 C ATOM 25 CE1 PHE A 2 71.799 7.873 -8.084 1.00 0.00 C ATOM 26 CE2 PHE A 2 69.993 9.469 -8.308 1.00 0.00 C ATOM 27 CZ PHE A 2 71.048 8.932 -7.562 1.00 0.00 C ATOM 0 H PHE A 2 70.519 6.821 -14.209 1.00 0.00 H new ATOM 0 HA PHE A 2 71.767 8.615 -12.189 1.00 0.00 H new ATOM 0 HB2 PHE A 2 69.238 7.814 -11.861 1.00 0.00 H new ATOM 0 HB3 PHE A 2 69.993 6.293 -11.427 1.00 0.00 H new ATOM 0 HD1 PHE A 2 72.100 6.552 -9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 2 68.875 9.361 -10.146 1.00 0.00 H new ATOM 0 HE1 PHE A 2 72.601 7.445 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 2 69.405 10.280 -7.905 1.00 0.00 H new ATOM 0 HZ PHE A 2 71.282 9.333 -6.587 1.00 0.00 H new ATOM 37 N MET A 3 73.590 6.951 -12.033 1.00 0.00 N ATOM 38 CA MET A 3 74.682 5.993 -11.909 1.00 0.00 C ATOM 39 C MET A 3 75.598 6.423 -10.767 1.00 0.00 C ATOM 40 O MET A 3 75.494 7.550 -10.280 1.00 0.00 O ATOM 41 CB MET A 3 75.472 5.936 -13.221 1.00 0.00 C ATOM 42 CG MET A 3 74.794 4.993 -14.219 1.00 0.00 C ATOM 43 SD MET A 3 75.307 3.293 -13.866 1.00 0.00 S ATOM 44 CE MET A 3 75.758 2.791 -15.546 1.00 0.00 C ATOM 0 H MET A 3 73.850 7.918 -11.837 1.00 0.00 H new ATOM 0 HA MET A 3 74.279 5.003 -11.697 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.547 6.935 -13.650 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.489 5.596 -13.025 1.00 0.00 H new ATOM 0 HG2 MET A 3 73.710 5.082 -14.145 1.00 0.00 H new ATOM 0 HG3 MET A 3 75.067 5.265 -15.239 1.00 0.00 H new ATOM 0 HE1 MET A 3 76.104 1.758 -15.536 1.00 0.00 H new ATOM 0 HE2 MET A 3 74.888 2.876 -16.197 1.00 0.00 H new ATOM 0 HE3 MET A 3 76.554 3.437 -15.917 1.00 0.00 H new ATOM 54 N LEU A 4 76.504 5.542 -10.349 1.00 0.00 N ATOM 55 CA LEU A 4 77.446 5.853 -9.282 1.00 0.00 C ATOM 56 C LEU A 4 78.880 5.748 -9.790 1.00 0.00 C ATOM 57 O LEU A 4 79.244 4.797 -10.482 1.00 0.00 O ATOM 58 CB LEU A 4 77.251 4.863 -8.133 1.00 0.00 C ATOM 59 CG LEU A 4 75.875 5.073 -7.492 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.467 3.807 -6.729 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.886 6.292 -6.560 1.00 0.00 C ATOM 0 H LEU A 4 76.604 4.604 -10.736 1.00 0.00 H new ATOM 0 HA LEU A 4 77.264 6.871 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.337 3.841 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.034 4.999 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 4 75.144 5.265 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.488 3.956 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.421 2.965 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.202 3.598 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.898 6.420 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.621 6.139 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.147 7.184 -7.130 1.00 0.00 H new ATOM 73 N THR A 5 79.683 6.747 -9.439 1.00 0.00 N ATOM 74 CA THR A 5 81.084 6.796 -9.847 1.00 0.00 C ATOM 75 C THR A 5 81.987 6.629 -8.629 1.00 0.00 C ATOM 76 O THR A 5 82.004 7.479 -7.739 1.00 0.00 O ATOM 77 CB THR A 5 81.360 8.129 -10.546 1.00 0.00 C ATOM 78 OG1 THR A 5 80.780 8.101 -11.841 1.00 0.00 O ATOM 79 CG2 THR A 5 82.865 8.376 -10.670 1.00 0.00 C ATOM 0 H THR A 5 79.386 7.539 -8.869 1.00 0.00 H new ATOM 0 HA THR A 5 81.293 5.982 -10.541 1.00 0.00 H new ATOM 0 HB THR A 5 80.925 8.934 -9.954 1.00 0.00 H new ATOM 0 HG1 THR A 5 80.951 8.953 -12.295 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.037 9.329 -11.170 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.313 8.401 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.319 7.574 -11.252 1.00 0.00 H new ATOM 87 N GLN A 6 82.797 5.573 -8.632 1.00 0.00 N ATOM 88 CA GLN A 6 83.698 5.287 -7.518 1.00 0.00 C ATOM 89 C GLN A 6 85.118 5.101 -8.046 1.00 0.00 C ATOM 90 O GLN A 6 85.331 5.136 -9.258 1.00 0.00 O ATOM 91 CB GLN A 6 83.225 4.048 -6.746 1.00 0.00 C ATOM 92 CG GLN A 6 81.763 3.759 -7.089 1.00 0.00 C ATOM 93 CD GLN A 6 81.167 2.785 -6.082 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.945 2.749 -5.957 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.936 2.249 -5.174 1.00 0.00 N ATOM 0 H GLN A 6 82.848 4.899 -9.396 1.00 0.00 H new ATOM 0 HA GLN A 6 83.692 6.128 -6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.846 3.189 -7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.332 4.212 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.192 4.687 -7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.694 3.342 -8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.950 2.281 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.523 1.798 -4.357 1.00 0.00 H new ATOM 104 N PRO A 7 86.067 4.821 -7.190 1.00 0.00 N ATOM 105 CA PRO A 7 87.475 4.579 -7.614 1.00 0.00 C ATOM 106 C PRO A 7 87.621 3.267 -8.381 1.00 0.00 C ATOM 107 O PRO A 7 86.902 2.302 -8.120 1.00 0.00 O ATOM 108 CB PRO A 7 88.284 4.562 -6.309 1.00 0.00 C ATOM 109 CG PRO A 7 87.339 4.906 -5.201 1.00 0.00 C ATOM 110 CD PRO A 7 85.919 4.695 -5.731 1.00 0.00 C ATOM 0 HA PRO A 7 87.826 5.349 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.729 3.581 -6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.103 5.280 -6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.522 4.276 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.481 5.939 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.529 3.716 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.229 5.439 -5.333 1.00 0.00 H new ATOM 118 N HIS A 8 88.615 3.214 -9.261 1.00 0.00 N ATOM 119 CA HIS A 8 88.901 1.999 -10.016 1.00 0.00 C ATOM 120 C HIS A 8 89.430 0.894 -9.106 1.00 0.00 C ATOM 121 O HIS A 8 89.076 -0.274 -9.269 1.00 0.00 O ATOM 122 CB HIS A 8 89.913 2.311 -11.120 1.00 0.00 C ATOM 123 CG HIS A 8 90.082 1.106 -12.006 1.00 0.00 C ATOM 124 ND1 HIS A 8 91.285 0.428 -12.114 1.00 0.00 N ATOM 125 CD2 HIS A 8 89.224 0.494 -12.889 1.00 0.00 C ATOM 126 CE1 HIS A 8 91.114 -0.568 -13.001 1.00 0.00 C ATOM 127 NE2 HIS A 8 89.879 -0.568 -13.511 1.00 0.00 N ATOM 0 H HIS A 8 89.235 3.997 -9.469 1.00 0.00 H new ATOM 0 HA HIS A 8 87.974 1.642 -10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.573 3.163 -11.709 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.871 2.589 -10.681 1.00 0.00 H new ATOM 0 HD2 HIS A 8 88.202 0.790 -13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 8 91.881 -1.280 -13.268 1.00 0.00 H new ATOM 0 HE2 HIS A 8 89.497 -1.208 -14.207 1.00 0.00 H new ATOM 135 N SER A 9 90.303 1.259 -8.172 1.00 0.00 N ATOM 136 CA SER A 9 90.880 0.280 -7.258 1.00 0.00 C ATOM 137 C SER A 9 91.683 0.986 -6.169 1.00 0.00 C ATOM 138 O SER A 9 91.898 2.196 -6.234 1.00 0.00 O ATOM 139 CB SER A 9 91.782 -0.688 -8.026 1.00 0.00 C ATOM 140 OG SER A 9 92.596 -1.414 -7.116 1.00 0.00 O ATOM 0 H SER A 9 90.624 2.217 -8.029 1.00 0.00 H new ATOM 0 HA SER A 9 90.071 -0.283 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.175 -1.377 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.408 -0.137 -8.728 1.00 0.00 H new ATOM 0 HG SER A 9 93.170 -2.033 -7.613 1.00 0.00 H new ATOM 146 N VAL A 10 92.081 0.241 -5.143 1.00 0.00 N ATOM 147 CA VAL A 10 92.812 0.838 -4.032 1.00 0.00 C ATOM 148 C VAL A 10 93.452 -0.240 -3.164 1.00 0.00 C ATOM 149 O VAL A 10 93.027 -1.396 -3.177 1.00 0.00 O ATOM 150 CB VAL A 10 91.860 1.690 -3.190 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.661 0.838 -2.765 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.586 2.212 -1.947 1.00 0.00 C ATOM 0 H VAL A 10 91.913 -0.761 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 10 93.605 1.468 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 10 91.516 2.538 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.980 1.442 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.140 0.476 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.008 -0.011 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.901 2.818 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.937 1.370 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.437 2.821 -2.252 1.00 0.00 H new ATOM 162 N SER A 11 94.483 0.147 -2.417 1.00 0.00 N ATOM 163 CA SER A 11 95.191 -0.777 -1.537 1.00 0.00 C ATOM 164 C SER A 11 95.485 -0.106 -0.201 1.00 0.00 C ATOM 165 O SER A 11 95.595 1.118 -0.124 1.00 0.00 O ATOM 166 CB SER A 11 96.508 -1.195 -2.192 1.00 0.00 C ATOM 167 OG SER A 11 96.243 -1.827 -3.436 1.00 0.00 O ATOM 0 H SER A 11 94.848 1.099 -2.404 1.00 0.00 H new ATOM 0 HA SER A 11 94.567 -1.654 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.143 -0.322 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.052 -1.875 -1.536 1.00 0.00 H new ATOM 0 HG SER A 11 97.088 -2.093 -3.855 1.00 0.00 H new ATOM 173 N GLU A 12 95.610 -0.908 0.851 1.00 0.00 N ATOM 174 CA GLU A 12 95.892 -0.370 2.178 1.00 0.00 C ATOM 175 C GLU A 12 96.557 -1.426 3.055 1.00 0.00 C ATOM 176 O GLU A 12 96.414 -2.623 2.808 1.00 0.00 O ATOM 177 CB GLU A 12 94.587 0.098 2.826 1.00 0.00 C ATOM 178 CG GLU A 12 94.889 0.927 4.074 1.00 0.00 C ATOM 179 CD GLU A 12 95.503 2.261 3.665 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.321 2.643 2.521 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.187 2.853 4.484 1.00 0.00 O ATOM 0 H GLU A 12 95.522 -1.923 0.813 1.00 0.00 H new ATOM 0 HA GLU A 12 96.574 0.474 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.012 0.692 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 12 93.974 -0.763 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 12 93.974 1.095 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.574 0.385 4.726 1.00 0.00 H new ATOM 188 N SER A 13 97.399 -0.983 3.985 1.00 0.00 N ATOM 189 CA SER A 13 98.131 -1.909 4.843 1.00 0.00 C ATOM 190 C SER A 13 97.345 -2.194 6.121 1.00 0.00 C ATOM 191 O SER A 13 96.633 -1.320 6.613 1.00 0.00 O ATOM 192 CB SER A 13 99.495 -1.314 5.199 1.00 0.00 C ATOM 193 OG SER A 13 100.200 -1.010 4.004 1.00 0.00 O ATOM 0 H SER A 13 97.590 0.003 4.163 1.00 0.00 H new ATOM 0 HA SER A 13 98.271 -2.846 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.366 -0.413 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.066 -2.019 5.803 1.00 0.00 H new ATOM 0 HG SER A 13 101.074 -0.627 4.228 1.00 0.00 H new ATOM 199 N PRO A 14 97.506 -3.348 6.714 1.00 0.00 N ATOM 200 CA PRO A 14 96.756 -3.698 7.953 1.00 0.00 C ATOM 201 C PRO A 14 97.081 -2.724 9.082 1.00 0.00 C ATOM 202 O PRO A 14 98.127 -2.075 9.070 1.00 0.00 O ATOM 203 CB PRO A 14 97.187 -5.130 8.301 1.00 0.00 C ATOM 204 CG PRO A 14 98.201 -5.551 7.284 1.00 0.00 C ATOM 205 CD PRO A 14 98.204 -4.516 6.155 1.00 0.00 C ATOM 0 HA PRO A 14 95.678 -3.634 7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.610 -5.170 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.329 -5.803 8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.189 -5.621 7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.960 -6.539 6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.220 -4.262 5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.694 -4.895 5.269 1.00 0.00 H new ATOM 213 N GLY A 15 96.186 -2.642 10.061 1.00 0.00 N ATOM 214 CA GLY A 15 96.403 -1.775 11.214 1.00 0.00 C ATOM 215 C GLY A 15 95.951 -0.350 10.913 1.00 0.00 C ATOM 216 O GLY A 15 95.688 0.431 11.827 1.00 0.00 O ATOM 0 H GLY A 15 95.309 -3.162 10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.855 -2.161 12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.459 -1.777 11.483 1.00 0.00 H new ATOM 220 N LYS A 16 95.968 0.015 9.635 1.00 0.00 N ATOM 221 CA LYS A 16 95.548 1.347 9.214 1.00 0.00 C ATOM 222 C LYS A 16 94.059 1.350 8.890 1.00 0.00 C ATOM 223 O LYS A 16 93.311 0.492 9.359 1.00 0.00 O ATOM 224 CB LYS A 16 96.358 1.796 7.993 1.00 0.00 C ATOM 225 CG LYS A 16 97.780 1.229 8.056 1.00 0.00 C ATOM 226 CD LYS A 16 98.501 1.728 9.310 1.00 0.00 C ATOM 227 CE LYS A 16 99.881 1.076 9.407 1.00 0.00 C ATOM 228 NZ LYS A 16 100.497 1.430 10.718 1.00 0.00 N ATOM 0 H LYS A 16 96.268 -0.593 8.873 1.00 0.00 H new ATOM 0 HA LYS A 16 95.730 2.047 10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.866 1.461 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.395 2.885 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.744 0.140 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.336 1.526 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 16 98.603 2.813 9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.913 1.491 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.793 -0.006 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.516 1.416 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.436 0.989 10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.593 2.463 10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.892 1.085 11.490 1.00 0.00 H new ATOM 242 N THR A 17 93.627 2.358 8.138 1.00 0.00 N ATOM 243 CA THR A 17 92.221 2.494 7.775 1.00 0.00 C ATOM 244 C THR A 17 92.054 2.805 6.295 1.00 0.00 C ATOM 245 O THR A 17 93.017 3.107 5.590 1.00 0.00 O ATOM 246 CB THR A 17 91.568 3.608 8.592 1.00 0.00 C ATOM 247 OG1 THR A 17 92.238 4.834 8.337 1.00 0.00 O ATOM 248 CG2 THR A 17 91.673 3.271 10.082 1.00 0.00 C ATOM 0 H THR A 17 94.231 3.092 7.768 1.00 0.00 H new ATOM 0 HA THR A 17 91.737 1.541 7.989 1.00 0.00 H new ATOM 0 HB THR A 17 90.519 3.701 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.819 5.550 8.859 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.208 4.064 10.668 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.163 2.328 10.279 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.723 3.181 10.362 1.00 0.00 H new ATOM 256 N VAL A 18 90.815 2.678 5.834 1.00 0.00 N ATOM 257 CA VAL A 18 90.493 2.987 4.445 1.00 0.00 C ATOM 258 C VAL A 18 89.090 3.567 4.315 1.00 0.00 C ATOM 259 O VAL A 18 88.194 3.232 5.088 1.00 0.00 O ATOM 260 CB VAL A 18 90.620 1.719 3.597 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.607 0.686 4.099 1.00 0.00 C ATOM 262 CG2 VAL A 18 90.381 2.035 2.114 1.00 0.00 C ATOM 0 H VAL A 18 90.023 2.366 6.396 1.00 0.00 H new ATOM 0 HA VAL A 18 91.197 3.739 4.088 1.00 0.00 H new ATOM 0 HB VAL A 18 91.628 1.316 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.688 -0.223 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 18 89.812 0.453 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 18 88.599 1.091 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.476 1.121 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 18 89.380 2.446 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.118 2.762 1.774 1.00 0.00 H new ATOM 272 N THR A 19 88.926 4.523 3.405 1.00 0.00 N ATOM 273 CA THR A 19 87.645 5.174 3.195 1.00 0.00 C ATOM 274 C THR A 19 87.263 5.064 1.722 1.00 0.00 C ATOM 275 O THR A 19 87.995 5.519 0.843 1.00 0.00 O ATOM 276 CB THR A 19 87.763 6.641 3.617 1.00 0.00 C ATOM 277 OG1 THR A 19 88.212 6.708 4.963 1.00 0.00 O ATOM 278 CG2 THR A 19 86.404 7.336 3.512 1.00 0.00 C ATOM 0 H THR A 19 89.673 4.863 2.799 1.00 0.00 H new ATOM 0 HA THR A 19 86.869 4.695 3.792 1.00 0.00 H new ATOM 0 HB THR A 19 88.473 7.140 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.290 7.646 5.235 1.00 0.00 H new ATOM 0 HG21 THR A 19 86.504 8.378 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.050 7.290 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 19 85.688 6.835 4.164 1.00 0.00 H new ATOM 286 N ILE A 20 86.062 4.551 1.473 1.00 0.00 N ATOM 287 CA ILE A 20 85.537 4.415 0.119 1.00 0.00 C ATOM 288 C ILE A 20 84.468 5.473 -0.133 1.00 0.00 C ATOM 289 O ILE A 20 83.473 5.545 0.587 1.00 0.00 O ATOM 290 CB ILE A 20 84.929 3.021 -0.060 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.022 1.970 0.152 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.352 2.894 -1.472 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.414 0.576 0.322 1.00 0.00 C ATOM 0 H ILE A 20 85.428 4.219 2.200 1.00 0.00 H new ATOM 0 HA ILE A 20 86.351 4.551 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 20 84.130 2.868 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.704 1.972 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.611 2.224 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.919 1.902 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.579 3.649 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.146 3.041 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.211 -0.153 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.751 0.571 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.846 0.315 -0.571 1.00 0.00 H new ATOM 305 N SER A 21 84.648 6.249 -1.197 1.00 0.00 N ATOM 306 CA SER A 21 83.697 7.299 -1.550 1.00 0.00 C ATOM 307 C SER A 21 82.853 6.868 -2.747 1.00 0.00 C ATOM 308 O SER A 21 83.397 6.442 -3.766 1.00 0.00 O ATOM 309 CB SER A 21 84.455 8.590 -1.868 1.00 0.00 C ATOM 310 OG SER A 21 85.585 8.296 -2.677 1.00 0.00 O ATOM 0 H SER A 21 85.444 6.171 -1.830 1.00 0.00 H new ATOM 0 HA SER A 21 83.029 7.477 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.799 9.290 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.773 9.073 -0.944 1.00 0.00 H new ATOM 0 HG SER A 21 85.349 7.605 -3.330 1.00 0.00 H new ATOM 316 N CYS A 22 81.531 6.994 -2.635 1.00 0.00 N ATOM 317 CA CYS A 22 80.630 6.655 -3.735 1.00 0.00 C ATOM 318 C CYS A 22 79.961 7.953 -4.204 1.00 0.00 C ATOM 319 O CYS A 22 79.313 8.649 -3.422 1.00 0.00 O ATOM 320 CB CYS A 22 79.624 5.581 -3.264 1.00 0.00 C ATOM 321 SG CYS A 22 80.270 3.904 -3.567 1.00 0.00 S ATOM 0 H CYS A 22 81.061 7.328 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 22 81.161 6.223 -4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.420 5.710 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.677 5.710 -3.788 1.00 0.00 H new ATOM 326 N THR A 23 80.227 8.348 -5.451 1.00 0.00 N ATOM 327 CA THR A 23 79.680 9.573 -6.034 1.00 0.00 C ATOM 328 C THR A 23 78.446 9.245 -6.867 1.00 0.00 C ATOM 329 O THR A 23 78.527 8.454 -7.805 1.00 0.00 O ATOM 330 CB THR A 23 80.709 10.269 -6.934 1.00 0.00 C ATOM 331 OG1 THR A 23 81.853 10.614 -6.166 1.00 0.00 O ATOM 332 CG2 THR A 23 80.145 11.550 -7.566 1.00 0.00 C ATOM 0 H THR A 23 80.830 7.825 -6.086 1.00 0.00 H new ATOM 0 HA THR A 23 79.417 10.241 -5.214 1.00 0.00 H new ATOM 0 HB THR A 23 80.968 9.574 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.511 11.057 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.906 12.011 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.274 11.303 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.854 12.246 -6.779 1.00 0.00 H new ATOM 340 N GLY A 24 77.361 9.981 -6.644 1.00 0.00 N ATOM 341 CA GLY A 24 76.117 9.745 -7.372 1.00 0.00 C ATOM 342 C GLY A 24 75.855 10.851 -8.388 1.00 0.00 C ATOM 343 O GLY A 24 75.853 12.035 -8.049 1.00 0.00 O ATOM 0 H GLY A 24 77.317 10.743 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.168 8.783 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.286 9.689 -6.669 1.00 0.00 H new ATOM 347 N SER A 25 75.658 10.454 -9.642 1.00 0.00 N ATOM 348 CA SER A 25 75.377 11.412 -10.705 1.00 0.00 C ATOM 349 C SER A 25 73.877 11.515 -10.961 1.00 0.00 C ATOM 350 O SER A 25 73.304 10.691 -11.674 1.00 0.00 O ATOM 351 CB SER A 25 76.092 10.977 -11.986 1.00 0.00 C ATOM 352 OG SER A 25 75.878 11.945 -13.003 1.00 0.00 O ATOM 0 H SER A 25 75.688 9.481 -9.945 1.00 0.00 H new ATOM 0 HA SER A 25 75.740 12.392 -10.395 1.00 0.00 H new ATOM 0 HB2 SER A 25 77.159 10.862 -11.798 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.719 10.005 -12.310 1.00 0.00 H new ATOM 0 HG SER A 25 76.338 11.666 -13.822 1.00 0.00 H new ATOM 358 N SER A 26 73.243 12.520 -10.364 1.00 0.00 N ATOM 359 CA SER A 26 71.817 12.749 -10.568 1.00 0.00 C ATOM 360 C SER A 26 71.276 13.673 -9.483 1.00 0.00 C ATOM 361 O SER A 26 70.646 14.690 -9.771 1.00 0.00 O ATOM 362 CB SER A 26 71.053 11.421 -10.539 1.00 0.00 C ATOM 363 OG SER A 26 69.770 11.608 -9.959 1.00 0.00 O ATOM 0 H SER A 26 73.693 13.187 -9.737 1.00 0.00 H new ATOM 0 HA SER A 26 71.678 13.216 -11.543 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.949 11.030 -11.551 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.615 10.682 -9.968 1.00 0.00 H new ATOM 0 HG SER A 26 69.478 10.774 -9.535 1.00 0.00 H new ATOM 369 N GLY A 27 71.539 13.311 -8.233 1.00 0.00 N ATOM 370 CA GLY A 27 71.028 14.075 -7.103 1.00 0.00 C ATOM 371 C GLY A 27 71.806 13.748 -5.834 1.00 0.00 C ATOM 372 O GLY A 27 72.740 12.947 -5.855 1.00 0.00 O ATOM 0 H GLY A 27 72.100 12.498 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 27 71.102 15.141 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.971 13.852 -6.955 1.00 0.00 H new ATOM 376 N SER A 28 71.363 14.312 -4.717 1.00 0.00 N ATOM 377 CA SER A 28 71.999 14.041 -3.434 1.00 0.00 C ATOM 378 C SER A 28 71.858 12.566 -3.074 1.00 0.00 C ATOM 379 O SER A 28 70.845 11.936 -3.378 1.00 0.00 O ATOM 380 CB SER A 28 71.359 14.902 -2.344 1.00 0.00 C ATOM 381 OG SER A 28 71.304 16.252 -2.780 1.00 0.00 O ATOM 0 H SER A 28 70.572 14.955 -4.673 1.00 0.00 H new ATOM 0 HA SER A 28 73.059 14.285 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.356 14.539 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.936 14.829 -1.422 1.00 0.00 H new ATOM 0 HG SER A 28 70.892 16.804 -2.083 1.00 0.00 H new ATOM 387 N ILE A 29 72.888 12.016 -2.441 1.00 0.00 N ATOM 388 CA ILE A 29 72.886 10.608 -2.058 1.00 0.00 C ATOM 389 C ILE A 29 72.031 10.406 -0.811 1.00 0.00 C ATOM 390 O ILE A 29 71.771 9.273 -0.405 1.00 0.00 O ATOM 391 CB ILE A 29 74.316 10.126 -1.771 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.220 11.299 -1.377 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.918 9.442 -3.001 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.648 12.099 -0.202 1.00 0.00 C ATOM 0 H ILE A 29 73.735 12.523 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 29 72.472 10.030 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 29 74.257 9.415 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.207 10.922 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 29 75.351 11.959 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.931 9.109 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.307 8.582 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.946 10.147 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.322 12.920 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.672 12.500 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.542 11.447 0.665 1.00 0.00 H new ATOM 406 N ALA A 30 71.581 11.511 -0.226 1.00 0.00 N ATOM 407 CA ALA A 30 70.741 11.449 0.964 1.00 0.00 C ATOM 408 C ALA A 30 69.275 11.407 0.556 1.00 0.00 C ATOM 409 O ALA A 30 68.389 11.202 1.385 1.00 0.00 O ATOM 410 CB ALA A 30 70.996 12.682 1.834 1.00 0.00 C ATOM 0 H ALA A 30 71.783 12.455 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 30 70.983 10.549 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.368 12.636 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.044 12.707 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.757 13.582 1.268 1.00 0.00 H new ATOM 416 N SER A 31 69.046 11.524 -0.748 1.00 0.00 N ATOM 417 CA SER A 31 67.695 11.464 -1.291 1.00 0.00 C ATOM 418 C SER A 31 67.136 10.050 -1.178 1.00 0.00 C ATOM 419 O SER A 31 65.927 9.840 -1.285 1.00 0.00 O ATOM 420 CB SER A 31 67.698 11.895 -2.759 1.00 0.00 C ATOM 421 OG SER A 31 68.512 11.007 -3.509 1.00 0.00 O ATOM 0 H SER A 31 69.777 11.661 -1.446 1.00 0.00 H new ATOM 0 HA SER A 31 67.064 12.142 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.681 11.894 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.073 12.914 -2.849 1.00 0.00 H new ATOM 0 HG SER A 31 69.327 11.471 -3.793 1.00 0.00 H new ATOM 427 N ASN A 32 68.018 9.091 -0.915 1.00 0.00 N ATOM 428 CA ASN A 32 67.620 7.691 -0.826 1.00 0.00 C ATOM 429 C ASN A 32 68.574 6.945 0.102 1.00 0.00 C ATOM 430 O ASN A 32 69.667 7.431 0.397 1.00 0.00 O ATOM 431 CB ASN A 32 67.619 7.045 -2.216 1.00 0.00 C ATOM 432 CG ASN A 32 67.337 8.095 -3.285 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.253 8.523 -3.986 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.125 8.555 -3.436 1.00 0.00 N ATOM 0 H ASN A 32 69.012 9.258 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 32 66.610 7.635 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.583 6.572 -2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 32 66.864 6.260 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.935 9.271 -4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.368 8.198 -2.853 1.00 0.00 H new ATOM 441 N TYR A 33 68.196 5.732 0.494 1.00 0.00 N ATOM 442 CA TYR A 33 69.045 4.918 1.357 1.00 0.00 C ATOM 443 C TYR A 33 70.067 4.154 0.521 1.00 0.00 C ATOM 444 O TYR A 33 69.782 3.757 -0.610 1.00 0.00 O ATOM 445 CB TYR A 33 68.184 3.913 2.124 1.00 0.00 C ATOM 446 CG TYR A 33 67.087 4.645 2.861 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.414 5.639 3.792 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.744 4.313 2.634 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.396 6.343 4.448 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.728 4.999 3.310 1.00 0.00 C ATOM 451 CZ TYR A 33 65.056 6.010 4.221 1.00 0.00 C ATOM 452 OH TYR A 33 64.056 6.695 4.880 1.00 0.00 O ATOM 0 H TYR A 33 67.314 5.294 0.230 1.00 0.00 H new ATOM 0 HA TYR A 33 69.565 5.574 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.752 3.188 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.800 3.354 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.449 5.862 4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.493 3.527 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.645 7.143 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.693 4.749 3.129 1.00 0.00 H new ATOM 0 HH TYR A 33 63.183 6.341 4.609 1.00 0.00 H new ATOM 462 N VAL A 34 71.278 3.996 1.052 1.00 0.00 N ATOM 463 CA VAL A 34 72.340 3.284 0.348 1.00 0.00 C ATOM 464 C VAL A 34 72.873 2.163 1.233 1.00 0.00 C ATOM 465 O VAL A 34 73.122 2.357 2.423 1.00 0.00 O ATOM 466 CB VAL A 34 73.445 4.273 -0.044 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.756 3.535 -0.333 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.019 5.061 -1.288 1.00 0.00 C ATOM 0 H VAL A 34 71.547 4.352 1.969 1.00 0.00 H new ATOM 0 HA VAL A 34 71.952 2.834 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 34 73.604 4.958 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.526 4.256 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.071 2.991 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.605 2.833 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.807 5.762 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.844 4.371 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.103 5.611 -1.074 1.00 0.00 H new ATOM 478 N GLN A 35 73.181 1.038 0.597 1.00 0.00 N ATOM 479 CA GLN A 35 73.703 -0.131 1.296 1.00 0.00 C ATOM 480 C GLN A 35 75.069 -0.496 0.726 1.00 0.00 C ATOM 481 O GLN A 35 75.386 -0.154 -0.413 1.00 0.00 O ATOM 482 CB GLN A 35 72.762 -1.323 1.109 1.00 0.00 C ATOM 483 CG GLN A 35 71.387 -1.002 1.699 1.00 0.00 C ATOM 484 CD GLN A 35 70.361 -2.023 1.220 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.519 -3.221 1.451 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.365 -1.632 0.472 1.00 0.00 N ATOM 0 H GLN A 35 73.077 0.911 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 35 73.787 0.105 2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.666 -1.558 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.178 -2.205 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.439 -1.010 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.080 0.001 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 35 69.231 -0.639 0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.720 -2.319 0.081 1.00 0.00 H new ATOM 495 N TRP A 36 75.901 -1.127 1.548 1.00 0.00 N ATOM 496 CA TRP A 36 77.240 -1.522 1.127 1.00 0.00 C ATOM 497 C TRP A 36 77.330 -3.037 0.996 1.00 0.00 C ATOM 498 O TRP A 36 76.632 -3.772 1.694 1.00 0.00 O ATOM 499 CB TRP A 36 78.271 -1.044 2.152 1.00 0.00 C ATOM 500 CG TRP A 36 78.326 0.450 2.137 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.447 1.267 2.761 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.284 1.317 1.460 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.798 2.578 2.505 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.934 2.665 1.727 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.418 1.068 0.668 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.662 3.730 1.186 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.172 2.131 0.155 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.795 3.455 0.412 1.00 0.00 C ATOM 0 H TRP A 36 75.671 -1.376 2.510 1.00 0.00 H new ATOM 0 HA TRP A 36 77.446 -1.066 0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.004 -1.400 3.147 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.252 -1.458 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.608 0.947 3.361 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.279 3.386 2.850 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.710 0.051 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.354 4.750 1.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.049 1.929 -0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.382 4.268 0.011 1.00 0.00 H new ATOM 519 N TYR A 37 78.197 -3.490 0.096 1.00 0.00 N ATOM 520 CA TYR A 37 78.349 -4.913 -0.186 1.00 0.00 C ATOM 521 C TYR A 37 79.820 -5.237 -0.418 1.00 0.00 C ATOM 522 O TYR A 37 80.597 -4.376 -0.831 1.00 0.00 O ATOM 523 CB TYR A 37 77.522 -5.300 -1.417 1.00 0.00 C ATOM 524 CG TYR A 37 76.086 -5.556 -1.022 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.192 -4.484 -0.916 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.679 -6.845 -0.659 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.871 -4.709 -0.510 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.346 -7.080 -0.298 1.00 0.00 C ATOM 529 CZ TYR A 37 73.443 -6.012 -0.224 1.00 0.00 C ATOM 530 OH TYR A 37 72.141 -6.235 0.174 1.00 0.00 O ATOM 0 H TYR A 37 78.809 -2.887 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 37 77.989 -5.485 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.566 -4.503 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.943 -6.191 -1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.522 -3.482 -1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.391 -7.657 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.184 -3.881 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 37 74.015 -8.084 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 37 72.007 -7.193 0.332 1.00 0.00 H new ATOM 540 N GLN A 38 80.188 -6.488 -0.163 1.00 0.00 N ATOM 541 CA GLN A 38 81.564 -6.933 -0.351 1.00 0.00 C ATOM 542 C GLN A 38 81.551 -8.268 -1.086 1.00 0.00 C ATOM 543 O GLN A 38 80.782 -9.163 -0.735 1.00 0.00 O ATOM 544 CB GLN A 38 82.246 -7.061 1.021 1.00 0.00 C ATOM 545 CG GLN A 38 83.541 -6.247 1.089 1.00 0.00 C ATOM 546 CD GLN A 38 84.622 -6.933 0.262 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.307 -7.719 -0.630 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.870 -6.823 0.626 1.00 0.00 N ATOM 0 H GLN A 38 79.553 -7.211 0.174 1.00 0.00 H new ATOM 0 HA GLN A 38 82.125 -6.212 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.563 -6.723 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.465 -8.110 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.368 -5.238 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.868 -6.151 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 38 86.130 -6.171 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.586 -7.389 0.171 1.00 0.00 H new ATOM 557 N GLN A 39 82.485 -8.436 -2.019 1.00 0.00 N ATOM 558 CA GLN A 39 82.546 -9.667 -2.804 1.00 0.00 C ATOM 559 C GLN A 39 83.793 -10.452 -2.409 1.00 0.00 C ATOM 560 O GLN A 39 84.884 -10.192 -2.915 1.00 0.00 O ATOM 561 CB GLN A 39 82.582 -9.315 -4.300 1.00 0.00 C ATOM 562 CG GLN A 39 81.394 -9.924 -5.053 1.00 0.00 C ATOM 563 CD GLN A 39 80.123 -9.147 -4.728 1.00 0.00 C ATOM 564 OE1 GLN A 39 79.947 -8.685 -3.521 1.00 0.00 O flip ATOM 565 NE2 GLN A 39 79.306 -8.891 -5.613 1.00 0.00 N flip ATOM 0 H GLN A 39 83.201 -7.746 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 39 81.666 -10.280 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.572 -8.232 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.513 -9.675 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.581 -9.900 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 39 81.273 -10.971 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 39 79.446 -9.253 -6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 39 78.490 -8.317 -5.403 1.00 0.00 H new ATOM 574 N ARG A 40 83.605 -11.436 -1.532 1.00 0.00 N ATOM 575 CA ARG A 40 84.704 -12.280 -1.078 1.00 0.00 C ATOM 576 C ARG A 40 84.851 -13.495 -1.993 1.00 0.00 C ATOM 577 O ARG A 40 83.919 -14.294 -2.080 1.00 0.00 O ATOM 578 CB ARG A 40 84.445 -12.732 0.363 1.00 0.00 C ATOM 579 CG ARG A 40 85.774 -12.987 1.079 1.00 0.00 C ATOM 580 CD ARG A 40 85.527 -13.409 2.528 1.00 0.00 C ATOM 581 NE ARG A 40 86.716 -14.061 3.066 1.00 0.00 N ATOM 582 CZ ARG A 40 86.701 -14.636 4.264 1.00 0.00 C ATOM 583 NH1 ARG A 40 85.942 -14.152 5.210 1.00 0.00 N ATOM 584 NH2 ARG A 40 87.409 -15.711 4.480 1.00 0.00 N ATOM 0 H ARG A 40 82.700 -11.667 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 40 85.631 -11.707 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.876 -11.970 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 40 83.841 -13.640 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.332 -13.765 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 40 86.386 -12.085 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.275 -12.537 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.676 -14.088 2.578 1.00 0.00 H new ATOM 0 HE ARG A 40 87.573 -14.076 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 40 85.361 -13.333 5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 40 85.930 -14.593 6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.973 -16.109 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 40 87.398 -16.153 5.399 1.00 0.00 H new ATOM 598 N PRO A 41 85.964 -13.699 -2.652 1.00 0.00 N ATOM 599 CA PRO A 41 86.120 -14.888 -3.534 1.00 0.00 C ATOM 600 C PRO A 41 85.916 -16.176 -2.741 1.00 0.00 C ATOM 601 O PRO A 41 86.685 -16.477 -1.828 1.00 0.00 O ATOM 602 CB PRO A 41 87.544 -14.800 -4.103 1.00 0.00 C ATOM 603 CG PRO A 41 88.158 -13.531 -3.599 1.00 0.00 C ATOM 604 CD PRO A 41 87.151 -12.828 -2.683 1.00 0.00 C ATOM 0 HA PRO A 41 85.378 -14.901 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.135 -15.661 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.522 -14.808 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.078 -13.746 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.426 -12.883 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.562 -12.690 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.900 -11.838 -3.064 1.00 0.00 H new ATOM 612 N GLY A 42 84.926 -16.968 -3.143 1.00 0.00 N ATOM 613 CA GLY A 42 84.632 -18.229 -2.470 1.00 0.00 C ATOM 614 C GLY A 42 83.362 -18.116 -1.632 1.00 0.00 C ATOM 615 O GLY A 42 82.745 -19.125 -1.288 1.00 0.00 O ATOM 0 H GLY A 42 84.314 -16.759 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.515 -19.022 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.470 -18.509 -1.832 1.00 0.00 H new ATOM 619 N SER A 43 82.995 -16.887 -1.275 1.00 0.00 N ATOM 620 CA SER A 43 81.791 -16.643 -0.486 1.00 0.00 C ATOM 621 C SER A 43 80.877 -15.663 -1.217 1.00 0.00 C ATOM 622 O SER A 43 81.352 -14.753 -1.897 1.00 0.00 O ATOM 623 CB SER A 43 82.185 -16.085 0.886 1.00 0.00 C ATOM 624 OG SER A 43 81.847 -14.708 0.974 1.00 0.00 O ATOM 0 H SER A 43 83.515 -16.044 -1.520 1.00 0.00 H new ATOM 0 HA SER A 43 81.252 -17.580 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 43 81.676 -16.642 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 43 83.256 -16.215 1.045 1.00 0.00 H new ATOM 0 HG SER A 43 82.102 -14.364 1.855 1.00 0.00 H new ATOM 630 N SER A 44 79.576 -15.780 -0.974 1.00 0.00 N ATOM 631 CA SER A 44 78.608 -14.897 -1.613 1.00 0.00 C ATOM 632 C SER A 44 78.785 -13.469 -1.103 1.00 0.00 C ATOM 633 O SER A 44 79.662 -13.214 -0.279 1.00 0.00 O ATOM 634 CB SER A 44 77.191 -15.395 -1.311 1.00 0.00 C ATOM 635 OG SER A 44 76.600 -14.594 -0.298 1.00 0.00 O ATOM 0 H SER A 44 79.170 -16.472 -0.344 1.00 0.00 H new ATOM 0 HA SER A 44 78.769 -14.902 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.584 -15.359 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.223 -16.436 -0.990 1.00 0.00 H new ATOM 0 HG SER A 44 75.694 -14.918 -0.112 1.00 0.00 H new ATOM 641 N PRO A 45 78.002 -12.534 -1.573 1.00 0.00 N ATOM 642 CA PRO A 45 78.073 -11.124 -1.095 1.00 0.00 C ATOM 643 C PRO A 45 77.625 -11.009 0.360 1.00 0.00 C ATOM 644 O PRO A 45 76.618 -11.603 0.746 1.00 0.00 O ATOM 645 CB PRO A 45 77.142 -10.343 -2.035 1.00 0.00 C ATOM 646 CG PRO A 45 76.680 -11.308 -3.082 1.00 0.00 C ATOM 647 CD PRO A 45 76.894 -12.717 -2.525 1.00 0.00 C ATOM 0 HA PRO A 45 79.091 -10.735 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.294 -9.932 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.667 -9.502 -2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.629 -11.144 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.241 -11.170 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.998 -13.097 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.151 -13.427 -3.311 1.00 0.00 H new ATOM 655 N THR A 46 78.259 -10.108 1.106 1.00 0.00 N ATOM 656 CA THR A 46 77.875 -9.849 2.490 1.00 0.00 C ATOM 657 C THR A 46 77.692 -8.353 2.723 1.00 0.00 C ATOM 658 O THR A 46 78.649 -7.584 2.647 1.00 0.00 O ATOM 659 CB THR A 46 78.954 -10.384 3.436 1.00 0.00 C ATOM 660 OG1 THR A 46 80.224 -9.929 2.993 1.00 0.00 O ATOM 661 CG2 THR A 46 78.953 -11.917 3.461 1.00 0.00 C ATOM 0 H THR A 46 79.042 -9.545 0.774 1.00 0.00 H new ATOM 0 HA THR A 46 76.930 -10.355 2.688 1.00 0.00 H new ATOM 0 HB THR A 46 78.746 -10.020 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.165 -8.982 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.729 -12.270 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 46 77.981 -12.275 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.148 -12.297 2.458 1.00 0.00 H new ATOM 669 N THR A 47 76.469 -7.956 3.059 1.00 0.00 N ATOM 670 CA THR A 47 76.184 -6.553 3.331 1.00 0.00 C ATOM 671 C THR A 47 77.096 -6.053 4.447 1.00 0.00 C ATOM 672 O THR A 47 76.964 -6.483 5.593 1.00 0.00 O ATOM 673 CB THR A 47 74.715 -6.396 3.735 1.00 0.00 C ATOM 674 OG1 THR A 47 73.917 -7.254 2.932 1.00 0.00 O ATOM 675 CG2 THR A 47 74.257 -4.951 3.528 1.00 0.00 C ATOM 0 H THR A 47 75.667 -8.580 3.149 1.00 0.00 H new ATOM 0 HA THR A 47 76.368 -5.962 2.434 1.00 0.00 H new ATOM 0 HB THR A 47 74.608 -6.656 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.050 -7.034 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.211 -4.856 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.866 -4.285 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.367 -4.681 2.478 1.00 0.00 H new ATOM 683 N VAL A 48 77.894 -5.029 4.157 1.00 0.00 N ATOM 684 CA VAL A 48 78.853 -4.533 5.139 1.00 0.00 C ATOM 685 C VAL A 48 78.206 -3.473 6.024 1.00 0.00 C ATOM 686 O VAL A 48 78.359 -3.502 7.245 1.00 0.00 O ATOM 687 CB VAL A 48 80.068 -3.906 4.445 1.00 0.00 C ATOM 688 CG1 VAL A 48 81.179 -3.635 5.471 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.570 -4.830 3.327 1.00 0.00 C ATOM 0 H VAL A 48 77.897 -4.534 3.265 1.00 0.00 H new ATOM 0 HA VAL A 48 79.174 -5.381 5.744 1.00 0.00 H new ATOM 0 HB VAL A 48 79.775 -2.956 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 48 82.038 -3.190 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.810 -2.950 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.479 -4.573 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.433 -4.376 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.857 -5.792 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.777 -4.979 2.594 1.00 0.00 H new ATOM 699 N ILE A 49 77.315 -2.681 5.433 1.00 0.00 N ATOM 700 CA ILE A 49 76.587 -1.663 6.183 1.00 0.00 C ATOM 701 C ILE A 49 75.171 -1.521 5.640 1.00 0.00 C ATOM 702 O ILE A 49 74.859 -1.998 4.549 1.00 0.00 O ATOM 703 CB ILE A 49 77.341 -0.330 6.100 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.608 -0.460 6.950 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.468 0.838 6.579 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.291 0.899 7.088 1.00 0.00 C ATOM 0 H ILE A 49 77.081 -2.725 4.441 1.00 0.00 H new ATOM 0 HA ILE A 49 76.518 -1.962 7.229 1.00 0.00 H new ATOM 0 HB ILE A 49 77.603 -0.113 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.355 -0.850 7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 49 79.292 -1.174 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 49 77.033 1.768 6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.577 0.906 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 49 76.174 0.671 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.191 0.794 7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.561 1.273 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.610 1.602 7.568 1.00 0.00 H new ATOM 718 N TYR A 50 74.330 -0.823 6.398 1.00 0.00 N ATOM 719 CA TYR A 50 72.937 -0.618 6.014 1.00 0.00 C ATOM 720 C TYR A 50 72.575 0.863 6.083 1.00 0.00 C ATOM 721 O TYR A 50 73.056 1.599 6.945 1.00 0.00 O ATOM 722 CB TYR A 50 72.032 -1.421 6.954 1.00 0.00 C ATOM 723 CG TYR A 50 70.701 -1.687 6.291 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.643 -2.519 5.167 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.520 -1.196 6.860 1.00 0.00 C ATOM 726 CE1 TYR A 50 69.413 -2.777 4.551 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.290 -1.447 6.239 1.00 0.00 C ATOM 728 CZ TYR A 50 68.235 -2.252 5.096 1.00 0.00 C ATOM 729 OH TYR A 50 67.020 -2.523 4.501 1.00 0.00 O ATOM 0 H TYR A 50 74.590 -0.389 7.284 1.00 0.00 H new ATOM 0 HA TYR A 50 72.796 -0.958 4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.512 -2.364 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.881 -0.872 7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.547 -2.962 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.557 -0.625 7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 50 69.373 -3.380 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.384 -1.019 6.642 1.00 0.00 H new ATOM 0 HH TYR A 50 66.304 -2.084 5.005 1.00 0.00 H new ATOM 739 N GLU A 51 71.656 1.270 5.214 1.00 0.00 N ATOM 740 CA GLU A 51 71.215 2.660 5.156 1.00 0.00 C ATOM 741 C GLU A 51 72.402 3.616 5.196 1.00 0.00 C ATOM 742 O GLU A 51 72.264 4.762 5.622 1.00 0.00 O ATOM 743 CB GLU A 51 70.280 2.948 6.335 1.00 0.00 C ATOM 744 CG GLU A 51 68.878 2.408 6.044 1.00 0.00 C ATOM 745 CD GLU A 51 67.942 2.765 7.193 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.405 3.395 8.129 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.762 2.477 7.084 1.00 0.00 O ATOM 0 H GLU A 51 71.201 0.656 4.539 1.00 0.00 H new ATOM 0 HA GLU A 51 70.686 2.815 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.674 2.488 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.233 4.022 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.502 2.829 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.914 1.326 5.914 1.00 0.00 H new ATOM 754 N ASP A 52 73.572 3.117 4.817 1.00 0.00 N ATOM 755 CA ASP A 52 74.773 3.943 4.779 1.00 0.00 C ATOM 756 C ASP A 52 74.913 4.760 6.058 1.00 0.00 C ATOM 757 O ASP A 52 75.636 5.755 6.104 1.00 0.00 O ATOM 758 CB ASP A 52 74.749 4.880 3.571 1.00 0.00 C ATOM 759 CG ASP A 52 73.613 5.890 3.692 1.00 0.00 C ATOM 760 OD1 ASP A 52 73.526 6.540 4.721 1.00 0.00 O ATOM 761 OD2 ASP A 52 72.856 6.010 2.742 1.00 0.00 O ATOM 0 H ASP A 52 73.715 2.148 4.532 1.00 0.00 H new ATOM 0 HA ASP A 52 75.630 3.275 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 52 75.701 5.405 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.629 4.299 2.657 1.00 0.00 H new ATOM 766 N ASN A 53 74.226 4.312 7.103 1.00 0.00 N ATOM 767 CA ASN A 53 74.241 4.992 8.394 1.00 0.00 C ATOM 768 C ASN A 53 74.989 4.150 9.421 1.00 0.00 C ATOM 769 O ASN A 53 75.805 4.662 10.187 1.00 0.00 O ATOM 770 CB ASN A 53 72.808 5.226 8.875 1.00 0.00 C ATOM 771 CG ASN A 53 72.094 6.190 7.934 1.00 0.00 C ATOM 772 OD1 ASN A 53 72.788 6.884 7.074 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 70.866 6.273 7.949 1.00 0.00 N flip ATOM 0 H ASN A 53 73.646 3.473 7.081 1.00 0.00 H new ATOM 0 HA ASN A 53 74.747 5.951 8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 53 72.270 4.279 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.817 5.632 9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.326 5.729 8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 53 70.388 6.885 7.288 1.00 0.00 H new ATOM 780 N GLN A 54 74.681 2.857 9.451 1.00 0.00 N ATOM 781 CA GLN A 54 75.309 1.944 10.395 1.00 0.00 C ATOM 782 C GLN A 54 74.987 0.511 9.986 1.00 0.00 C ATOM 783 O GLN A 54 74.272 0.292 9.008 1.00 0.00 O ATOM 784 CB GLN A 54 74.810 2.235 11.814 1.00 0.00 C ATOM 785 CG GLN A 54 73.377 2.773 11.765 1.00 0.00 C ATOM 786 CD GLN A 54 72.727 2.708 13.143 1.00 0.00 C ATOM 787 OE1 GLN A 54 73.219 1.922 14.060 1.00 0.00 O flip ATOM 788 NE2 GLN A 54 71.737 3.395 13.392 1.00 0.00 N flip ATOM 0 H GLN A 54 73.999 2.419 8.831 1.00 0.00 H new ATOM 0 HA GLN A 54 76.390 2.081 10.384 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.846 1.326 12.414 1.00 0.00 H new ATOM 0 HB3 GLN A 54 75.464 2.962 12.296 1.00 0.00 H new ATOM 0 HG2 GLN A 54 73.382 3.803 11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.790 2.193 11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.350 4.011 12.676 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.303 3.349 14.314 1.00 0.00 H new ATOM 797 N ARG A 55 75.313 -0.439 10.857 1.00 0.00 N ATOM 798 CA ARG A 55 75.117 -1.853 10.556 1.00 0.00 C ATOM 799 C ARG A 55 74.347 -2.515 11.696 1.00 0.00 C ATOM 800 O ARG A 55 74.485 -2.096 12.846 1.00 0.00 O ATOM 801 CB ARG A 55 76.488 -2.514 10.396 1.00 0.00 C ATOM 802 CG ARG A 55 77.190 -2.562 11.755 1.00 0.00 C ATOM 803 CD ARG A 55 78.689 -2.792 11.557 1.00 0.00 C ATOM 804 NE ARG A 55 79.320 -1.588 11.028 1.00 0.00 N ATOM 805 CZ ARG A 55 79.221 -0.422 11.659 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.071 -0.397 12.955 1.00 0.00 N ATOM 807 NH2 ARG A 55 79.181 0.690 10.978 1.00 0.00 N ATOM 0 H ARG A 55 75.714 -0.255 11.777 1.00 0.00 H new ATOM 0 HA ARG A 55 74.546 -1.966 9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.374 -3.522 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.092 -1.955 9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.024 -1.629 12.293 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.768 -3.361 12.365 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.150 -3.066 12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.849 -3.625 10.873 1.00 0.00 H new ATOM 0 HE ARG A 55 79.848 -1.642 10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.030 -1.270 13.481 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.995 0.496 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.226 0.666 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 55 79.105 1.583 11.464 1.00 0.00 H new ATOM 821 N PRO A 56 73.656 -3.597 11.451 1.00 0.00 N ATOM 822 CA PRO A 56 72.865 -4.276 12.517 1.00 0.00 C ATOM 823 C PRO A 56 73.738 -4.612 13.722 1.00 0.00 C ATOM 824 O PRO A 56 74.949 -4.398 13.687 1.00 0.00 O ATOM 825 CB PRO A 56 72.303 -5.535 11.840 1.00 0.00 C ATOM 826 CG PRO A 56 72.903 -5.591 10.471 1.00 0.00 C ATOM 827 CD PRO A 56 73.349 -4.169 10.129 1.00 0.00 C ATOM 0 HA PRO A 56 72.069 -3.645 12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.558 -6.428 12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.215 -5.492 11.784 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.749 -6.278 10.447 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.176 -5.954 9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.220 -4.165 9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.564 -3.611 9.619 1.00 0.00 H new ATOM 835 N SER A 57 73.104 -4.919 14.849 1.00 0.00 N ATOM 836 CA SER A 57 73.858 -5.274 16.046 1.00 0.00 C ATOM 837 C SER A 57 74.432 -6.680 15.905 1.00 0.00 C ATOM 838 O SER A 57 73.690 -7.632 15.661 1.00 0.00 O ATOM 839 CB SER A 57 72.961 -5.169 17.284 1.00 0.00 C ATOM 840 OG SER A 57 73.219 -3.939 17.946 1.00 0.00 O ATOM 0 H SER A 57 72.090 -4.930 14.959 1.00 0.00 H new ATOM 0 HA SER A 57 74.687 -4.577 16.166 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.912 -5.226 16.993 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.151 -6.005 17.957 1.00 0.00 H new ATOM 0 HG SER A 57 72.646 -3.867 18.738 1.00 0.00 H new ATOM 846 N GLY A 58 75.704 -6.831 16.264 1.00 0.00 N ATOM 847 CA GLY A 58 76.341 -8.142 16.310 1.00 0.00 C ATOM 848 C GLY A 58 77.454 -8.250 15.271 1.00 0.00 C ATOM 849 O GLY A 58 78.509 -8.823 15.544 1.00 0.00 O ATOM 0 H GLY A 58 76.315 -6.058 16.528 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.750 -8.316 17.305 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.596 -8.918 16.132 1.00 0.00 H new ATOM 853 N VAL A 59 77.257 -7.630 14.111 1.00 0.00 N ATOM 854 CA VAL A 59 78.266 -7.671 13.058 1.00 0.00 C ATOM 855 C VAL A 59 79.445 -6.774 13.436 1.00 0.00 C ATOM 856 O VAL A 59 79.257 -5.765 14.116 1.00 0.00 O ATOM 857 CB VAL A 59 77.653 -7.215 11.725 1.00 0.00 C ATOM 858 CG1 VAL A 59 77.105 -8.405 10.932 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.513 -6.227 11.994 1.00 0.00 C ATOM 0 H VAL A 59 76.418 -7.099 13.878 1.00 0.00 H new ATOM 0 HA VAL A 59 78.624 -8.694 12.944 1.00 0.00 H new ATOM 0 HB VAL A 59 78.437 -6.736 11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.678 -8.051 9.994 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.913 -9.105 10.721 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.333 -8.907 11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.080 -5.905 11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.746 -6.712 12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.901 -5.360 12.529 1.00 0.00 H new ATOM 869 N PRO A 60 80.605 -7.006 12.878 1.00 0.00 N ATOM 870 CA PRO A 60 81.809 -6.190 13.203 1.00 0.00 C ATOM 871 C PRO A 60 81.594 -4.720 12.850 1.00 0.00 C ATOM 872 O PRO A 60 80.919 -4.405 11.871 1.00 0.00 O ATOM 873 CB PRO A 60 82.950 -6.805 12.378 1.00 0.00 C ATOM 874 CG PRO A 60 82.369 -7.915 11.556 1.00 0.00 C ATOM 875 CD PRO A 60 80.928 -8.155 12.015 1.00 0.00 C ATOM 0 HA PRO A 60 82.032 -6.206 14.270 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.407 -6.052 11.736 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.735 -7.184 13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.391 -7.655 10.498 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.960 -8.823 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.248 -8.213 11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.839 -9.095 12.560 1.00 0.00 H new ATOM 883 N ASP A 61 82.201 -3.828 13.629 1.00 0.00 N ATOM 884 CA ASP A 61 82.103 -2.392 13.381 1.00 0.00 C ATOM 885 C ASP A 61 83.333 -1.873 12.646 1.00 0.00 C ATOM 886 O ASP A 61 83.579 -0.667 12.611 1.00 0.00 O ATOM 887 CB ASP A 61 81.947 -1.643 14.706 1.00 0.00 C ATOM 888 CG ASP A 61 80.669 -2.090 15.407 1.00 0.00 C ATOM 889 OD1 ASP A 61 80.732 -3.050 16.159 1.00 0.00 O ATOM 890 OD2 ASP A 61 79.645 -1.468 15.178 1.00 0.00 O ATOM 0 H ASP A 61 82.768 -4.076 14.440 1.00 0.00 H new ATOM 0 HA ASP A 61 81.228 -2.219 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.809 -1.834 15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.916 -0.569 14.525 1.00 0.00 H new ATOM 895 N ARG A 62 84.064 -2.781 12.006 1.00 0.00 N ATOM 896 CA ARG A 62 85.256 -2.390 11.264 1.00 0.00 C ATOM 897 C ARG A 62 84.889 -1.498 10.083 1.00 0.00 C ATOM 898 O ARG A 62 85.763 -0.891 9.468 1.00 0.00 O ATOM 899 CB ARG A 62 85.993 -3.630 10.754 1.00 0.00 C ATOM 900 CG ARG A 62 86.400 -4.511 11.936 1.00 0.00 C ATOM 901 CD ARG A 62 87.453 -5.526 11.488 1.00 0.00 C ATOM 902 NE ARG A 62 86.971 -6.298 10.347 1.00 0.00 N ATOM 903 CZ ARG A 62 87.753 -6.583 9.309 1.00 0.00 C ATOM 904 NH1 ARG A 62 88.740 -5.790 8.995 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.508 -7.622 8.557 1.00 0.00 N ATOM 0 H ARG A 62 83.855 -3.779 11.986 1.00 0.00 H new ATOM 0 HA ARG A 62 85.906 -1.833 11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.353 -4.191 10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.876 -3.333 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.797 -3.893 12.742 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.527 -5.030 12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 88.374 -5.008 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.693 -6.197 12.313 1.00 0.00 H new ATOM 0 HE ARG A 62 86.006 -6.629 10.345 1.00 0.00 H new ATOM 0 HH11 ARG A 62 88.914 -4.949 9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 62 89.338 -6.011 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 62 86.711 -8.224 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 62 88.114 -7.832 7.764 1.00 0.00 H new ATOM 919 N PHE A 63 83.595 -1.391 9.791 1.00 0.00 N ATOM 920 CA PHE A 63 83.119 -0.561 8.687 1.00 0.00 C ATOM 921 C PHE A 63 82.184 0.525 9.207 1.00 0.00 C ATOM 922 O PHE A 63 81.398 0.281 10.122 1.00 0.00 O ATOM 923 CB PHE A 63 82.407 -1.425 7.642 1.00 0.00 C ATOM 924 CG PHE A 63 83.078 -2.776 7.566 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.866 -3.715 8.582 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.932 -3.083 6.500 1.00 0.00 C ATOM 927 CE1 PHE A 63 83.450 -4.985 8.494 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.547 -4.340 6.438 1.00 0.00 C ATOM 929 CZ PHE A 63 84.374 -5.260 7.480 1.00 0.00 C ATOM 0 H PHE A 63 82.856 -1.870 10.305 1.00 0.00 H new ATOM 0 HA PHE A 63 83.977 -0.082 8.215 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.356 -1.543 7.907 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.438 -0.936 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 63 82.252 -3.460 9.433 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.116 -2.352 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.187 -5.751 9.208 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.156 -4.600 5.585 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.949 -6.174 7.501 1.00 0.00 H new ATOM 939 N SER A 64 82.197 1.687 8.558 1.00 0.00 N ATOM 940 CA SER A 64 81.269 2.755 8.922 1.00 0.00 C ATOM 941 C SER A 64 80.776 3.483 7.674 1.00 0.00 C ATOM 942 O SER A 64 81.597 3.882 6.852 1.00 0.00 O ATOM 943 CB SER A 64 81.976 3.733 9.866 1.00 0.00 C ATOM 944 OG SER A 64 81.051 4.234 10.819 1.00 0.00 O ATOM 0 H SER A 64 82.829 1.911 7.789 1.00 0.00 H new ATOM 0 HA SER A 64 80.403 2.325 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.800 3.231 10.374 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.407 4.556 9.296 1.00 0.00 H new ATOM 0 HG SER A 64 81.508 4.858 11.422 1.00 0.00 H new ATOM 950 N GLY A 65 79.470 3.724 7.584 1.00 0.00 N ATOM 951 CA GLY A 65 78.891 4.432 6.446 1.00 0.00 C ATOM 952 C GLY A 65 78.650 5.904 6.765 1.00 0.00 C ATOM 953 O GLY A 65 78.347 6.257 7.903 1.00 0.00 O ATOM 0 H GLY A 65 78.791 3.438 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.558 4.349 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.949 3.961 6.164 1.00 0.00 H new ATOM 957 N SER A 66 78.728 6.749 5.740 1.00 0.00 N ATOM 958 CA SER A 66 78.500 8.181 5.907 1.00 0.00 C ATOM 959 C SER A 66 77.926 8.783 4.628 1.00 0.00 C ATOM 960 O SER A 66 78.133 8.256 3.535 1.00 0.00 O ATOM 961 CB SER A 66 79.814 8.874 6.280 1.00 0.00 C ATOM 962 OG SER A 66 79.540 9.969 7.141 1.00 0.00 O ATOM 0 H SER A 66 78.947 6.466 4.785 1.00 0.00 H new ATOM 0 HA SER A 66 77.778 8.333 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.483 8.168 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.323 9.222 5.381 1.00 0.00 H new ATOM 0 HG SER A 66 80.379 10.413 7.383 1.00 0.00 H new ATOM 968 N ILE A 67 77.214 9.898 4.771 1.00 0.00 N ATOM 969 CA ILE A 67 76.596 10.575 3.634 1.00 0.00 C ATOM 970 C ILE A 67 76.893 12.071 3.674 1.00 0.00 C ATOM 971 O ILE A 67 76.957 12.672 4.746 1.00 0.00 O ATOM 972 CB ILE A 67 75.079 10.346 3.641 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.508 10.545 5.053 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.773 8.945 3.101 1.00 0.00 C ATOM 975 CD1 ILE A 67 74.526 9.251 5.873 1.00 0.00 C ATOM 0 H ILE A 67 77.050 10.354 5.669 1.00 0.00 H new ATOM 0 HA ILE A 67 77.016 10.159 2.718 1.00 0.00 H new ATOM 0 HB ILE A 67 74.598 11.079 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 67 75.086 11.310 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 67 73.485 10.913 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.695 8.781 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.149 8.858 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.256 8.199 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 67 74.113 9.442 6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 67 73.926 8.493 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 67 75.552 8.896 5.970 1.00 0.00 H new ATOM 987 N ASP A 68 77.085 12.667 2.500 1.00 0.00 N ATOM 988 CA ASP A 68 77.359 14.097 2.396 1.00 0.00 C ATOM 989 C ASP A 68 76.342 14.770 1.481 1.00 0.00 C ATOM 990 O ASP A 68 76.598 14.966 0.292 1.00 0.00 O ATOM 991 CB ASP A 68 78.762 14.301 1.823 1.00 0.00 C ATOM 992 CG ASP A 68 79.785 13.553 2.672 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.960 13.926 3.821 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.368 12.608 2.166 1.00 0.00 O ATOM 0 H ASP A 68 77.056 12.179 1.605 1.00 0.00 H new ATOM 0 HA ASP A 68 77.290 14.542 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.799 13.943 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.004 15.364 1.800 1.00 0.00 H new ATOM 999 N SER A 69 75.182 15.103 2.037 1.00 0.00 N ATOM 1000 CA SER A 69 74.145 15.764 1.255 1.00 0.00 C ATOM 1001 C SER A 69 74.703 17.019 0.591 1.00 0.00 C ATOM 1002 O SER A 69 74.191 17.478 -0.430 1.00 0.00 O ATOM 1003 CB SER A 69 72.975 16.144 2.166 1.00 0.00 C ATOM 1004 OG SER A 69 73.163 17.464 2.657 1.00 0.00 O ATOM 0 H SER A 69 74.939 14.929 3.012 1.00 0.00 H new ATOM 0 HA SER A 69 73.798 15.079 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.036 16.080 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.905 15.442 2.997 1.00 0.00 H new ATOM 0 HG SER A 69 72.413 17.707 3.239 1.00 0.00 H new ATOM 1010 N SER A 70 75.732 17.592 1.205 1.00 0.00 N ATOM 1011 CA SER A 70 76.339 18.810 0.684 1.00 0.00 C ATOM 1012 C SER A 70 77.306 18.485 -0.449 1.00 0.00 C ATOM 1013 O SER A 70 77.254 19.096 -1.516 1.00 0.00 O ATOM 1014 CB SER A 70 77.112 19.514 1.798 1.00 0.00 C ATOM 1015 OG SER A 70 76.273 19.682 2.932 1.00 0.00 O ATOM 0 H SER A 70 76.161 17.235 2.059 1.00 0.00 H new ATOM 0 HA SER A 70 75.545 19.455 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.992 18.930 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.468 20.484 1.450 1.00 0.00 H new ATOM 0 HG SER A 70 76.773 20.132 3.645 1.00 0.00 H new ATOM 1021 N SER A 71 78.214 17.547 -0.196 1.00 0.00 N ATOM 1022 CA SER A 71 79.196 17.161 -1.201 1.00 0.00 C ATOM 1023 C SER A 71 78.547 16.255 -2.240 1.00 0.00 C ATOM 1024 O SER A 71 79.155 15.924 -3.257 1.00 0.00 O ATOM 1025 CB SER A 71 80.373 16.438 -0.544 1.00 0.00 C ATOM 1026 OG SER A 71 81.512 16.517 -1.390 1.00 0.00 O ATOM 0 H SER A 71 78.289 17.045 0.689 1.00 0.00 H new ATOM 0 HA SER A 71 79.567 18.061 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.594 16.887 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.116 15.395 -0.360 1.00 0.00 H new ATOM 0 HG SER A 71 81.241 16.362 -2.319 1.00 0.00 H new ATOM 1032 N ASN A 72 77.290 15.899 -1.996 1.00 0.00 N ATOM 1033 CA ASN A 72 76.549 15.079 -2.949 1.00 0.00 C ATOM 1034 C ASN A 72 77.266 13.757 -3.211 1.00 0.00 C ATOM 1035 O ASN A 72 77.307 13.284 -4.347 1.00 0.00 O ATOM 1036 CB ASN A 72 76.370 15.830 -4.271 1.00 0.00 C ATOM 1037 CG ASN A 72 75.264 15.183 -5.099 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.140 15.686 -5.140 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.513 14.091 -5.770 1.00 0.00 N ATOM 0 H ASN A 72 76.769 16.161 -1.159 1.00 0.00 H new ATOM 0 HA ASN A 72 75.572 14.867 -2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.124 16.874 -4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.305 15.823 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.778 13.656 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.443 13.673 -5.737 1.00 0.00 H new ATOM 1046 N SER A 73 77.935 13.227 -2.190 1.00 0.00 N ATOM 1047 CA SER A 73 78.672 11.975 -2.333 1.00 0.00 C ATOM 1048 C SER A 73 78.671 11.199 -1.021 1.00 0.00 C ATOM 1049 O SER A 73 78.567 11.785 0.055 1.00 0.00 O ATOM 1050 CB SER A 73 80.119 12.266 -2.735 1.00 0.00 C ATOM 1051 OG SER A 73 80.810 12.838 -1.634 1.00 0.00 O ATOM 0 H SER A 73 77.982 13.642 -1.260 1.00 0.00 H new ATOM 0 HA SER A 73 78.184 11.378 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.612 11.346 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.141 12.947 -3.586 1.00 0.00 H new ATOM 0 HG SER A 73 81.738 13.023 -1.890 1.00 0.00 H new ATOM 1057 N ALA A 74 78.769 9.875 -1.102 1.00 0.00 N ATOM 1058 CA ALA A 74 78.693 9.034 0.090 1.00 0.00 C ATOM 1059 C ALA A 74 80.089 8.520 0.420 1.00 0.00 C ATOM 1060 O ALA A 74 80.957 8.487 -0.451 1.00 0.00 O ATOM 1061 CB ALA A 74 77.727 7.867 -0.155 1.00 0.00 C ATOM 0 H ALA A 74 78.900 9.363 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 74 78.317 9.614 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.675 7.244 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.735 8.257 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.084 7.270 -0.994 1.00 0.00 H new ATOM 1067 N SER A 75 80.345 8.303 1.707 1.00 0.00 N ATOM 1068 CA SER A 75 81.668 7.872 2.148 1.00 0.00 C ATOM 1069 C SER A 75 81.580 6.960 3.365 1.00 0.00 C ATOM 1070 O SER A 75 80.792 7.200 4.280 1.00 0.00 O ATOM 1071 CB SER A 75 82.533 9.087 2.489 1.00 0.00 C ATOM 1072 OG SER A 75 82.372 10.079 1.486 1.00 0.00 O ATOM 0 H SER A 75 79.662 8.417 2.456 1.00 0.00 H new ATOM 0 HA SER A 75 82.122 7.314 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.248 9.488 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.580 8.793 2.560 1.00 0.00 H new ATOM 0 HG SER A 75 81.744 10.762 1.800 1.00 0.00 H new ATOM 1078 N LEU A 76 82.282 5.832 3.284 1.00 0.00 N ATOM 1079 CA LEU A 76 82.357 4.889 4.395 1.00 0.00 C ATOM 1080 C LEU A 76 83.738 4.957 5.040 1.00 0.00 C ATOM 1081 O LEU A 76 84.746 4.964 4.340 1.00 0.00 O ATOM 1082 CB LEU A 76 81.990 3.483 3.894 1.00 0.00 C ATOM 1083 CG LEU A 76 82.891 2.376 4.458 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.190 1.018 4.326 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.257 2.356 3.755 1.00 0.00 C ATOM 0 H LEU A 76 82.808 5.549 2.457 1.00 0.00 H new ATOM 0 HA LEU A 76 81.638 5.151 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 76 80.955 3.269 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.047 3.468 2.806 1.00 0.00 H new ATOM 0 HG LEU A 76 83.071 2.581 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.834 0.236 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.252 1.037 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 76 81.985 0.815 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.872 1.561 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.115 2.178 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.755 3.315 3.899 1.00 0.00 H new ATOM 1097 N THR A 77 83.783 4.948 6.370 1.00 0.00 N ATOM 1098 CA THR A 77 85.047 4.911 7.100 1.00 0.00 C ATOM 1099 C THR A 77 85.264 3.540 7.734 1.00 0.00 C ATOM 1100 O THR A 77 84.443 3.082 8.529 1.00 0.00 O ATOM 1101 CB THR A 77 85.047 5.980 8.196 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.630 7.224 7.651 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.454 6.122 8.780 1.00 0.00 C ATOM 0 H THR A 77 82.955 4.966 6.966 1.00 0.00 H new ATOM 0 HA THR A 77 85.855 5.106 6.395 1.00 0.00 H new ATOM 0 HB THR A 77 84.358 5.683 8.986 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.629 7.906 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.449 6.884 9.560 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.769 5.169 9.206 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.147 6.414 7.991 1.00 0.00 H new ATOM 1111 N ILE A 78 86.383 2.899 7.405 1.00 0.00 N ATOM 1112 CA ILE A 78 86.701 1.580 7.945 1.00 0.00 C ATOM 1113 C ILE A 78 87.855 1.696 8.934 1.00 0.00 C ATOM 1114 O ILE A 78 88.933 2.162 8.571 1.00 0.00 O ATOM 1115 CB ILE A 78 87.059 0.652 6.778 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.791 0.046 6.161 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.000 -0.481 7.201 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.038 -0.354 4.706 1.00 0.00 C ATOM 0 H ILE A 78 87.085 3.272 6.766 1.00 0.00 H new ATOM 0 HA ILE A 78 85.846 1.166 8.479 1.00 0.00 H new ATOM 0 HB ILE A 78 87.576 1.266 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.482 -0.827 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.975 0.767 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.223 -1.110 6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.926 -0.058 7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.521 -1.082 7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.127 -0.781 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.324 0.526 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.839 -1.092 4.663 1.00 0.00 H new ATOM 1130 N SER A 79 87.702 1.063 10.093 1.00 0.00 N ATOM 1131 CA SER A 79 88.740 1.084 11.120 1.00 0.00 C ATOM 1132 C SER A 79 89.352 -0.302 11.305 1.00 0.00 C ATOM 1133 O SER A 79 88.632 -1.295 11.407 1.00 0.00 O ATOM 1134 CB SER A 79 88.151 1.566 12.446 1.00 0.00 C ATOM 1135 OG SER A 79 87.024 0.771 12.782 1.00 0.00 O ATOM 0 H SER A 79 86.870 0.529 10.345 1.00 0.00 H new ATOM 0 HA SER A 79 89.524 1.769 10.798 1.00 0.00 H new ATOM 0 HB2 SER A 79 88.902 1.502 13.234 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.860 2.613 12.367 1.00 0.00 H new ATOM 0 HG SER A 79 87.124 -0.121 12.388 1.00 0.00 H new ATOM 1141 N GLY A 80 90.679 -0.366 11.296 1.00 0.00 N ATOM 1142 CA GLY A 80 91.379 -1.620 11.552 1.00 0.00 C ATOM 1143 C GLY A 80 90.956 -2.705 10.565 1.00 0.00 C ATOM 1144 O GLY A 80 90.291 -3.669 10.942 1.00 0.00 O ATOM 0 H GLY A 80 91.289 0.431 11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.455 -1.459 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.174 -1.952 12.570 1.00 0.00 H new ATOM 1148 N LEU A 81 91.273 -2.500 9.291 1.00 0.00 N ATOM 1149 CA LEU A 81 90.955 -3.479 8.257 1.00 0.00 C ATOM 1150 C LEU A 81 91.845 -4.714 8.376 1.00 0.00 C ATOM 1151 O LEU A 81 92.979 -4.624 8.847 1.00 0.00 O ATOM 1152 CB LEU A 81 91.072 -2.848 6.867 1.00 0.00 C ATOM 1153 CG LEU A 81 92.535 -2.621 6.466 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.613 -2.131 5.017 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.177 -1.588 7.398 1.00 0.00 C ATOM 0 H LEU A 81 91.750 -1.665 8.949 1.00 0.00 H new ATOM 0 HA LEU A 81 89.924 -3.802 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 81 90.590 -3.494 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.540 -1.897 6.854 1.00 0.00 H new ATOM 0 HG LEU A 81 93.074 -3.564 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 81 93.656 -1.973 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 81 92.173 -2.878 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.066 -1.193 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.216 -1.432 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.634 -0.646 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.138 -1.951 8.425 1.00 0.00 H new ATOM 1167 N LYS A 82 91.383 -5.841 7.838 1.00 0.00 N ATOM 1168 CA LYS A 82 92.157 -7.080 7.868 1.00 0.00 C ATOM 1169 C LYS A 82 92.053 -7.814 6.535 1.00 0.00 C ATOM 1170 O LYS A 82 91.084 -7.639 5.799 1.00 0.00 O ATOM 1171 CB LYS A 82 91.637 -7.989 8.983 1.00 0.00 C ATOM 1172 CG LYS A 82 91.876 -7.325 10.341 1.00 0.00 C ATOM 1173 CD LYS A 82 91.272 -8.186 11.454 1.00 0.00 C ATOM 1174 CE LYS A 82 92.056 -9.491 11.606 1.00 0.00 C ATOM 1175 NZ LYS A 82 91.789 -10.067 12.953 1.00 0.00 N ATOM 0 H LYS A 82 90.477 -5.922 7.376 1.00 0.00 H new ATOM 0 HA LYS A 82 93.201 -6.827 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.573 -8.181 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.143 -8.954 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.945 -7.195 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.428 -6.331 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 82 91.284 -7.636 12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 82 90.229 -8.406 11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 82 91.763 -10.198 10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.123 -9.305 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.320 -10.955 13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.089 -9.392 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.772 -10.257 13.054 1.00 0.00 H new ATOM 1189 N THR A 83 93.000 -8.706 6.262 1.00 0.00 N ATOM 1190 CA THR A 83 92.983 -9.453 5.012 1.00 0.00 C ATOM 1191 C THR A 83 91.643 -10.149 4.811 1.00 0.00 C ATOM 1192 O THR A 83 91.158 -10.277 3.687 1.00 0.00 O ATOM 1193 CB THR A 83 94.102 -10.498 5.028 1.00 0.00 C ATOM 1194 OG1 THR A 83 95.277 -9.919 5.577 1.00 0.00 O ATOM 1195 CG2 THR A 83 94.403 -11.006 3.614 1.00 0.00 C ATOM 0 H THR A 83 93.779 -8.927 6.882 1.00 0.00 H new ATOM 0 HA THR A 83 93.136 -8.754 4.190 1.00 0.00 H new ATOM 0 HB THR A 83 93.776 -11.342 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.995 -10.586 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 83 95.201 -11.747 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.507 -11.462 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.715 -10.171 2.986 1.00 0.00 H new ATOM 1203 N GLU A 84 91.031 -10.555 5.917 1.00 0.00 N ATOM 1204 CA GLU A 84 89.734 -11.212 5.852 1.00 0.00 C ATOM 1205 C GLU A 84 88.746 -10.332 5.094 1.00 0.00 C ATOM 1206 O GLU A 84 87.647 -10.775 4.758 1.00 0.00 O ATOM 1207 CB GLU A 84 89.210 -11.465 7.267 1.00 0.00 C ATOM 1208 CG GLU A 84 90.072 -12.516 7.976 1.00 0.00 C ATOM 1209 CD GLU A 84 89.563 -13.922 7.674 1.00 0.00 C ATOM 1210 OE1 GLU A 84 89.654 -14.329 6.528 1.00 0.00 O ATOM 1211 OE2 GLU A 84 89.032 -14.545 8.579 1.00 0.00 O ATOM 0 H GLU A 84 91.407 -10.442 6.858 1.00 0.00 H new ATOM 0 HA GLU A 84 89.843 -12.163 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.217 -10.535 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.175 -11.804 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 84 91.109 -12.422 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 90.056 -12.341 9.052 1.00 0.00 H new ATOM 1218 N ASP A 85 89.152 -9.100 4.796 1.00 0.00 N ATOM 1219 CA ASP A 85 88.306 -8.181 4.041 1.00 0.00 C ATOM 1220 C ASP A 85 88.852 -8.007 2.629 1.00 0.00 C ATOM 1221 O ASP A 85 88.123 -7.602 1.724 1.00 0.00 O ATOM 1222 CB ASP A 85 88.254 -6.818 4.734 1.00 0.00 C ATOM 1223 CG ASP A 85 87.415 -6.907 6.002 1.00 0.00 C ATOM 1224 OD1 ASP A 85 86.790 -7.934 6.206 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.468 -5.970 6.783 1.00 0.00 O ATOM 0 H ASP A 85 90.058 -8.717 5.065 1.00 0.00 H new ATOM 0 HA ASP A 85 87.300 -8.599 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.263 -6.487 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.830 -6.074 4.059 1.00 0.00 H new ATOM 1230 N GLU A 86 90.104 -8.408 2.422 1.00 0.00 N ATOM 1231 CA GLU A 86 90.703 -8.322 1.095 1.00 0.00 C ATOM 1232 C GLU A 86 89.737 -8.817 0.026 1.00 0.00 C ATOM 1233 O GLU A 86 89.438 -10.010 -0.034 1.00 0.00 O ATOM 1234 CB GLU A 86 91.966 -9.180 1.038 1.00 0.00 C ATOM 1235 CG GLU A 86 92.672 -8.983 -0.304 1.00 0.00 C ATOM 1236 CD GLU A 86 93.983 -9.763 -0.317 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.168 -10.585 0.565 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.760 -9.564 -1.236 1.00 0.00 O ATOM 0 H GLU A 86 90.715 -8.790 3.144 1.00 0.00 H new ATOM 0 HA GLU A 86 90.944 -7.276 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.636 -8.910 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.708 -10.231 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.029 -9.321 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.867 -7.924 -0.471 1.00 0.00 H new ATOM 1245 N ALA A 87 89.185 -7.899 -0.760 1.00 0.00 N ATOM 1246 CA ALA A 87 88.256 -8.302 -1.806 1.00 0.00 C ATOM 1247 C ALA A 87 87.664 -7.086 -2.510 1.00 0.00 C ATOM 1248 O ALA A 87 88.179 -5.974 -2.397 1.00 0.00 O ATOM 1249 CB ALA A 87 87.148 -9.170 -1.195 1.00 0.00 C ATOM 0 H ALA A 87 89.359 -6.896 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 87 88.795 -8.883 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.451 -9.473 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.590 -10.056 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.615 -8.598 -0.435 1.00 0.00 H new ATOM 1255 N ASP A 88 86.637 -7.340 -3.314 1.00 0.00 N ATOM 1256 CA ASP A 88 85.956 -6.280 -4.048 1.00 0.00 C ATOM 1257 C ASP A 88 84.789 -5.724 -3.238 1.00 0.00 C ATOM 1258 O ASP A 88 84.037 -6.467 -2.610 1.00 0.00 O ATOM 1259 CB ASP A 88 85.455 -6.831 -5.385 1.00 0.00 C ATOM 1260 CG ASP A 88 86.573 -7.599 -6.084 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.492 -6.960 -6.569 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.493 -8.815 -6.127 1.00 0.00 O ATOM 0 H ASP A 88 86.257 -8.273 -3.474 1.00 0.00 H new ATOM 0 HA ASP A 88 86.659 -5.467 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.600 -7.487 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.112 -6.014 -6.019 1.00 0.00 H new ATOM 1267 N TYR A 89 84.598 -4.413 -3.342 1.00 0.00 N ATOM 1268 CA TYR A 89 83.533 -3.700 -2.642 1.00 0.00 C ATOM 1269 C TYR A 89 82.507 -3.183 -3.646 1.00 0.00 C ATOM 1270 O TYR A 89 82.842 -2.904 -4.797 1.00 0.00 O ATOM 1271 CB TYR A 89 84.132 -2.525 -1.862 1.00 0.00 C ATOM 1272 CG TYR A 89 84.712 -3.003 -0.551 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.880 -3.773 -0.546 1.00 0.00 C ATOM 1274 CD2 TYR A 89 84.105 -2.646 0.660 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.429 -4.203 0.668 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.667 -3.055 1.875 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.829 -3.836 1.879 1.00 0.00 C ATOM 1278 OH TYR A 89 86.346 -4.298 3.072 1.00 0.00 O ATOM 0 H TYR A 89 85.183 -3.809 -3.920 1.00 0.00 H new ATOM 0 HA TYR A 89 83.039 -4.381 -1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.909 -2.044 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.363 -1.775 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.358 -4.036 -1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.202 -2.054 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.316 -4.819 0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.205 -2.768 2.808 1.00 0.00 H new ATOM 0 HH TYR A 89 85.813 -3.949 3.817 1.00 0.00 H new ATOM 1288 N TYR A 90 81.251 -3.090 -3.215 1.00 0.00 N ATOM 1289 CA TYR A 90 80.165 -2.629 -4.077 1.00 0.00 C ATOM 1290 C TYR A 90 79.251 -1.657 -3.330 1.00 0.00 C ATOM 1291 O TYR A 90 79.261 -1.613 -2.100 1.00 0.00 O ATOM 1292 CB TYR A 90 79.372 -3.840 -4.580 1.00 0.00 C ATOM 1293 CG TYR A 90 80.112 -4.523 -5.707 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.099 -5.477 -5.428 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.751 -4.269 -7.035 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.792 -6.098 -6.475 1.00 0.00 C ATOM 1297 CE2 TYR A 90 80.435 -4.897 -8.082 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.449 -5.821 -7.803 1.00 0.00 C ATOM 1299 OH TYR A 90 82.128 -6.433 -8.837 1.00 0.00 O ATOM 0 H TYR A 90 80.959 -3.330 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 90 80.587 -2.095 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.212 -4.543 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.388 -3.521 -4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.326 -5.734 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.943 -3.587 -7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.591 -6.791 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 90 80.180 -4.669 -9.106 1.00 0.00 H new ATOM 0 HH TYR A 90 81.762 -6.129 -9.694 1.00 0.00 H new ATOM 1309 N CYS A 91 78.517 -0.833 -4.078 1.00 0.00 N ATOM 1310 CA CYS A 91 77.596 0.157 -3.515 1.00 0.00 C ATOM 1311 C CYS A 91 76.215 -0.100 -4.127 1.00 0.00 C ATOM 1312 O CYS A 91 76.115 -0.523 -5.280 1.00 0.00 O ATOM 1313 CB CYS A 91 78.047 1.592 -3.852 1.00 0.00 C ATOM 1314 SG CYS A 91 79.328 2.286 -2.760 1.00 0.00 S ATOM 0 H CYS A 91 78.544 -0.833 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 91 77.574 0.062 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.420 1.606 -4.876 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.175 2.245 -3.821 1.00 0.00 H new ATOM 1319 N GLN A 92 75.144 0.159 -3.379 1.00 0.00 N ATOM 1320 CA GLN A 92 73.783 0.051 -3.906 1.00 0.00 C ATOM 1321 C GLN A 92 72.957 1.274 -3.516 1.00 0.00 C ATOM 1322 O GLN A 92 72.891 1.638 -2.342 1.00 0.00 O ATOM 1323 CB GLN A 92 73.094 -1.202 -3.357 1.00 0.00 C ATOM 1324 CG GLN A 92 73.811 -2.461 -3.849 1.00 0.00 C ATOM 1325 CD GLN A 92 72.927 -3.687 -3.636 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.221 -3.777 -2.631 1.00 0.00 O ATOM 1327 NE2 GLN A 92 72.978 -4.676 -4.486 1.00 0.00 N ATOM 0 H GLN A 92 75.192 0.446 -2.402 1.00 0.00 H new ATOM 0 HA GLN A 92 73.851 -0.013 -4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.094 -1.178 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.052 -1.221 -3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.056 -2.359 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.753 -2.585 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 92 73.562 -4.603 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.434 -5.522 -4.317 1.00 0.00 H new ATOM 1336 N SER A 93 72.253 1.852 -4.485 1.00 0.00 N ATOM 1337 CA SER A 93 71.426 3.032 -4.248 1.00 0.00 C ATOM 1338 C SER A 93 70.022 2.823 -4.806 1.00 0.00 C ATOM 1339 O SER A 93 69.811 1.983 -5.680 1.00 0.00 O ATOM 1340 CB SER A 93 72.055 4.255 -4.917 1.00 0.00 C ATOM 1341 OG SER A 93 72.198 4.015 -6.309 1.00 0.00 O ATOM 0 H SER A 93 72.239 1.519 -5.449 1.00 0.00 H new ATOM 0 HA SER A 93 71.362 3.194 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.432 5.134 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.028 4.466 -4.472 1.00 0.00 H new ATOM 0 HG SER A 93 72.448 4.848 -6.761 1.00 0.00 H new ATOM 1347 N TYR A 94 69.065 3.605 -4.313 1.00 0.00 N ATOM 1348 CA TYR A 94 67.680 3.516 -4.764 1.00 0.00 C ATOM 1349 C TYR A 94 67.208 4.866 -5.296 1.00 0.00 C ATOM 1350 O TYR A 94 67.635 5.916 -4.814 1.00 0.00 O ATOM 1351 CB TYR A 94 66.784 3.085 -3.598 1.00 0.00 C ATOM 1352 CG TYR A 94 66.895 1.594 -3.385 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.038 1.058 -2.781 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.867 0.746 -3.816 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.127 -0.321 -2.558 1.00 0.00 C ATOM 1356 CE2 TYR A 94 65.976 -0.638 -3.631 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.109 -1.171 -3.006 1.00 0.00 C ATOM 1358 OH TYR A 94 67.209 -2.533 -2.806 1.00 0.00 O ATOM 0 H TYR A 94 69.226 4.312 -3.596 1.00 0.00 H new ATOM 0 HA TYR A 94 67.619 2.779 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.076 3.613 -2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.748 3.355 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 94 68.850 1.707 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 94 64.990 1.160 -4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.982 -0.730 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.187 -1.293 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 94 66.418 -2.977 -3.176 1.00 0.00 H new ATOM 1368 N ASP A 95 66.314 4.830 -6.281 1.00 0.00 N ATOM 1369 CA ASP A 95 65.757 6.046 -6.864 1.00 0.00 C ATOM 1370 C ASP A 95 64.304 6.225 -6.433 1.00 0.00 C ATOM 1371 O ASP A 95 63.760 5.399 -5.698 1.00 0.00 O ATOM 1372 CB ASP A 95 65.842 5.963 -8.391 1.00 0.00 C ATOM 1373 CG ASP A 95 65.806 7.358 -9.007 1.00 0.00 C ATOM 1374 OD1 ASP A 95 65.595 8.306 -8.269 1.00 0.00 O ATOM 1375 OD2 ASP A 95 66.030 7.460 -10.202 1.00 0.00 O ATOM 0 H ASP A 95 65.959 3.967 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 95 66.330 6.904 -6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 95 66.761 5.454 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.013 5.368 -8.775 1.00 0.00 H new ATOM 1380 N SER A 96 63.671 7.282 -6.930 1.00 0.00 N ATOM 1381 CA SER A 96 62.277 7.554 -6.602 1.00 0.00 C ATOM 1382 C SER A 96 61.359 6.494 -7.203 1.00 0.00 C ATOM 1383 O SER A 96 60.247 6.282 -6.722 1.00 0.00 O ATOM 1384 CB SER A 96 61.893 8.938 -7.128 1.00 0.00 C ATOM 1385 OG SER A 96 62.201 9.016 -8.512 1.00 0.00 O ATOM 0 H SER A 96 64.099 7.962 -7.559 1.00 0.00 H new ATOM 0 HA SER A 96 62.160 7.528 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 96 60.830 9.118 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 96 62.432 9.711 -6.580 1.00 0.00 H new ATOM 0 HG SER A 96 61.954 9.901 -8.853 1.00 0.00 H new ATOM 1391 N SER A 97 61.840 5.815 -8.241 1.00 0.00 N ATOM 1392 CA SER A 97 61.046 4.790 -8.909 1.00 0.00 C ATOM 1393 C SER A 97 61.162 3.459 -8.173 1.00 0.00 C ATOM 1394 O SER A 97 60.806 2.412 -8.713 1.00 0.00 O ATOM 1395 CB SER A 97 61.513 4.620 -10.357 1.00 0.00 C ATOM 1396 OG SER A 97 61.056 5.717 -11.134 1.00 0.00 O ATOM 0 H SER A 97 62.770 5.955 -8.635 1.00 0.00 H new ATOM 0 HA SER A 97 60.003 5.107 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 97 62.601 4.562 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.129 3.686 -10.767 1.00 0.00 H new ATOM 0 HG SER A 97 61.356 5.609 -12.061 1.00 0.00 H new ATOM 1402 N ASN A 98 61.737 3.495 -6.975 1.00 0.00 N ATOM 1403 CA ASN A 98 61.919 2.281 -6.189 1.00 0.00 C ATOM 1404 C ASN A 98 62.697 1.238 -6.984 1.00 0.00 C ATOM 1405 O ASN A 98 62.456 0.039 -6.843 1.00 0.00 O ATOM 1406 CB ASN A 98 60.560 1.703 -5.787 1.00 0.00 C ATOM 1407 CG ASN A 98 59.926 2.560 -4.697 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.629 3.279 -3.987 1.00 0.00 O ATOM 1409 ND2 ASN A 98 58.638 2.504 -4.501 1.00 0.00 N ATOM 0 H ASN A 98 62.083 4.345 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 98 62.484 2.538 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 98 59.903 1.661 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.682 0.680 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 98 58.211 3.057 -3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 98 58.058 1.907 -5.091 1.00 0.00 H new ATOM 1416 N HIS A 99 63.697 1.686 -7.739 1.00 0.00 N ATOM 1417 CA HIS A 99 64.552 0.777 -8.497 1.00 0.00 C ATOM 1418 C HIS A 99 65.965 0.804 -7.927 1.00 0.00 C ATOM 1419 O HIS A 99 66.633 1.837 -7.934 1.00 0.00 O ATOM 1420 CB HIS A 99 64.569 1.189 -9.974 1.00 0.00 C ATOM 1421 CG HIS A 99 63.394 0.586 -10.696 1.00 0.00 C ATOM 1422 ND1 HIS A 99 62.612 1.319 -11.574 1.00 0.00 N ATOM 1423 CD2 HIS A 99 62.912 -0.701 -10.750 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.686 0.488 -12.084 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.830 -0.757 -11.626 1.00 0.00 N ATOM 0 H HIS A 99 63.935 2.672 -7.842 1.00 0.00 H new ATOM 0 HA HIS A 99 64.159 -0.237 -8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.537 2.275 -10.056 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.498 0.861 -10.440 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.311 -1.539 -10.198 1.00 0.00 H new ATOM 0 HE1 HIS A 99 60.918 0.792 -12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 99 61.269 -1.574 -11.866 1.00 0.00 H new ATOM 1433 N VAL A 100 66.438 -0.370 -7.519 1.00 0.00 N ATOM 1434 CA VAL A 100 67.773 -0.497 -6.948 1.00 0.00 C ATOM 1435 C VAL A 100 68.833 -0.381 -8.037 1.00 0.00 C ATOM 1436 O VAL A 100 68.697 -0.966 -9.111 1.00 0.00 O ATOM 1437 CB VAL A 100 67.909 -1.843 -6.230 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.983 -2.981 -7.253 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.171 -1.854 -5.359 1.00 0.00 C ATOM 0 H VAL A 100 65.917 -1.245 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 100 67.921 0.309 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 100 67.035 -1.987 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 100 68.080 -3.933 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 100 67.075 -2.988 -7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.847 -2.833 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.256 -2.816 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.048 -1.695 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.107 -1.059 -4.616 1.00 0.00 H new ATOM 1449 N VAL A 101 69.859 0.422 -7.774 1.00 0.00 N ATOM 1450 CA VAL A 101 70.959 0.607 -8.715 1.00 0.00 C ATOM 1451 C VAL A 101 72.288 0.303 -8.032 1.00 0.00 C ATOM 1452 O VAL A 101 72.500 0.653 -6.871 1.00 0.00 O ATOM 1453 CB VAL A 101 70.954 2.048 -9.234 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.220 2.311 -10.054 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.711 2.286 -10.098 1.00 0.00 C ATOM 0 H VAL A 101 69.952 0.958 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 101 70.832 -0.077 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 101 70.933 2.732 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.210 3.338 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.098 2.158 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.255 1.625 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.713 3.313 -10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.719 1.599 -10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.815 2.116 -9.501 1.00 0.00 H new ATOM 1465 N PHE A 102 73.191 -0.328 -8.776 1.00 0.00 N ATOM 1466 CA PHE A 102 74.504 -0.703 -8.257 1.00 0.00 C ATOM 1467 C PHE A 102 75.585 0.082 -8.993 1.00 0.00 C ATOM 1468 O PHE A 102 75.461 0.365 -10.184 1.00 0.00 O ATOM 1469 CB PHE A 102 74.736 -2.215 -8.405 1.00 0.00 C ATOM 1470 CG PHE A 102 73.710 -2.817 -9.338 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.370 -2.873 -8.937 1.00 0.00 C ATOM 1472 CD2 PHE A 102 74.095 -3.358 -10.571 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.406 -3.422 -9.790 1.00 0.00 C ATOM 1474 CE2 PHE A 102 73.133 -3.912 -11.424 1.00 0.00 C ATOM 1475 CZ PHE A 102 71.790 -3.953 -11.028 1.00 0.00 C ATOM 0 H PHE A 102 73.036 -0.593 -9.749 1.00 0.00 H new ATOM 0 HA PHE A 102 74.548 -0.461 -7.195 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.739 -2.399 -8.790 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.676 -2.696 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 102 72.080 -2.492 -7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 102 75.134 -3.348 -10.864 1.00 0.00 H new ATOM 0 HE1 PHE A 102 70.367 -3.436 -9.494 1.00 0.00 H new ATOM 0 HE2 PHE A 102 73.426 -4.307 -12.386 1.00 0.00 H new ATOM 0 HZ PHE A 102 71.049 -4.395 -11.678 1.00 0.00 H new ATOM 1485 N GLY A 103 76.671 0.372 -8.283 1.00 0.00 N ATOM 1486 CA GLY A 103 77.777 1.135 -8.854 1.00 0.00 C ATOM 1487 C GLY A 103 78.831 0.198 -9.433 1.00 0.00 C ATOM 1488 O GLY A 103 78.779 -1.014 -9.219 1.00 0.00 O ATOM 0 H GLY A 103 76.809 0.091 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.404 1.798 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.225 1.766 -8.087 1.00 0.00 H new ATOM 1492 N GLY A 104 79.820 0.771 -10.110 1.00 0.00 N ATOM 1493 CA GLY A 104 80.881 -0.028 -10.710 1.00 0.00 C ATOM 1494 C GLY A 104 81.654 -0.788 -9.638 1.00 0.00 C ATOM 1495 O GLY A 104 82.291 -1.803 -9.919 1.00 0.00 O ATOM 0 H GLY A 104 79.909 1.777 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.454 -0.731 -11.425 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.560 0.619 -11.266 1.00 0.00 H new ATOM 1499 N GLY A 105 81.567 -0.306 -8.403 1.00 0.00 N ATOM 1500 CA GLY A 105 82.237 -0.963 -7.287 1.00 0.00 C ATOM 1501 C GLY A 105 83.700 -0.541 -7.208 1.00 0.00 C ATOM 1502 O GLY A 105 84.135 0.353 -7.933 1.00 0.00 O ATOM 0 H GLY A 105 81.043 0.532 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.731 -0.712 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.172 -2.045 -7.404 1.00 0.00 H new ATOM 1506 N THR A 106 84.433 -1.134 -6.271 1.00 0.00 N ATOM 1507 CA THR A 106 85.842 -0.803 -6.087 1.00 0.00 C ATOM 1508 C THR A 106 86.622 -2.015 -5.589 1.00 0.00 C ATOM 1509 O THR A 106 86.098 -2.827 -4.827 1.00 0.00 O ATOM 1510 CB THR A 106 85.970 0.333 -5.071 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.189 1.434 -5.510 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.432 0.768 -4.929 1.00 0.00 C ATOM 0 H THR A 106 84.077 -1.843 -5.630 1.00 0.00 H new ATOM 0 HA THR A 106 86.254 -0.493 -7.048 1.00 0.00 H new ATOM 0 HB THR A 106 85.617 -0.016 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.534 1.759 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.502 1.577 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.032 -0.077 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.804 1.114 -5.893 1.00 0.00 H new ATOM 1520 N LYS A 107 87.885 -2.113 -5.996 1.00 0.00 N ATOM 1521 CA LYS A 107 88.732 -3.229 -5.587 1.00 0.00 C ATOM 1522 C LYS A 107 89.659 -2.809 -4.451 1.00 0.00 C ATOM 1523 O LYS A 107 90.409 -1.841 -4.579 1.00 0.00 O ATOM 1524 CB LYS A 107 89.555 -3.728 -6.777 1.00 0.00 C ATOM 1525 CG LYS A 107 90.317 -4.995 -6.379 1.00 0.00 C ATOM 1526 CD LYS A 107 90.875 -5.668 -7.634 1.00 0.00 C ATOM 1527 CE LYS A 107 91.584 -6.964 -7.238 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.336 -7.499 -8.408 1.00 0.00 N ATOM 0 H LYS A 107 88.343 -1.436 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 107 88.092 -4.037 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.900 -3.936 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.255 -2.956 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.129 -4.745 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.654 -5.680 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.069 -5.881 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.571 -4.999 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.266 -6.779 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 107 90.856 -7.698 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 92.818 -8.380 -8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 91.675 -7.691 -9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.041 -6.800 -8.717 1.00 0.00 H new ATOM 1542 N LEU A 108 89.578 -3.516 -3.326 1.00 0.00 N ATOM 1543 CA LEU A 108 90.399 -3.227 -2.157 1.00 0.00 C ATOM 1544 C LEU A 108 91.421 -4.339 -1.958 1.00 0.00 C ATOM 1545 O LEU A 108 91.051 -5.496 -1.758 1.00 0.00 O ATOM 1546 CB LEU A 108 89.501 -3.134 -0.920 1.00 0.00 C ATOM 1547 CG LEU A 108 90.327 -3.007 0.364 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.314 -1.845 0.249 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.398 -2.748 1.553 1.00 0.00 C ATOM 0 H LEU A 108 88.942 -4.304 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 108 90.921 -2.282 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.838 -2.274 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.868 -4.019 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 108 90.877 -3.936 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.894 -1.767 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.987 -2.021 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.766 -0.917 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.990 -2.658 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.844 -1.824 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.698 -3.577 1.655 1.00 0.00 H new ATOM 1561 N THR A 109 92.696 -3.970 -1.896 1.00 0.00 N ATOM 1562 CA THR A 109 93.759 -4.939 -1.643 1.00 0.00 C ATOM 1563 C THR A 109 94.383 -4.700 -0.271 1.00 0.00 C ATOM 1564 O THR A 109 94.781 -3.582 0.056 1.00 0.00 O ATOM 1565 CB THR A 109 94.829 -4.809 -2.729 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.290 -5.234 -3.972 1.00 0.00 O ATOM 1567 CG2 THR A 109 96.051 -5.665 -2.392 1.00 0.00 C ATOM 0 H THR A 109 93.019 -3.010 -2.017 1.00 0.00 H new ATOM 0 HA THR A 109 93.337 -5.944 -1.661 1.00 0.00 H new ATOM 0 HB THR A 109 95.138 -3.766 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.973 -5.150 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.799 -5.557 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.473 -5.338 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.753 -6.711 -2.316 1.00 0.00 H new ATOM 1575 N VAL A 110 94.486 -5.764 0.521 1.00 0.00 N ATOM 1576 CA VAL A 110 95.009 -5.675 1.882 1.00 0.00 C ATOM 1577 C VAL A 110 96.378 -6.345 1.947 1.00 0.00 C ATOM 1578 O VAL A 110 96.560 -7.459 1.455 1.00 0.00 O ATOM 1579 CB VAL A 110 94.071 -6.384 2.864 1.00 0.00 C ATOM 1580 CG1 VAL A 110 94.548 -6.147 4.299 1.00 0.00 C ATOM 1581 CG2 VAL A 110 92.631 -5.884 2.699 1.00 0.00 C ATOM 0 H VAL A 110 94.212 -6.706 0.241 1.00 0.00 H new ATOM 0 HA VAL A 110 95.089 -4.622 2.153 1.00 0.00 H new ATOM 0 HB VAL A 110 94.088 -7.453 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 110 93.878 -6.653 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 110 95.557 -6.541 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 110 94.549 -5.078 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 110 91.983 -6.401 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.594 -4.812 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.291 -6.083 1.683 1.00 0.00 H new ATOM 1591 N LEU A 111 97.364 -5.620 2.468 1.00 0.00 N ATOM 1592 CA LEU A 111 98.727 -6.134 2.555 1.00 0.00 C ATOM 1593 C LEU A 111 98.984 -6.719 3.939 1.00 0.00 C ATOM 1594 O LEU A 111 99.781 -6.146 4.665 1.00 0.00 O ATOM 1595 CB LEU A 111 99.718 -4.999 2.285 1.00 0.00 C ATOM 1596 CG LEU A 111 99.450 -4.375 0.909 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.990 -2.942 0.877 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.133 -5.200 -0.185 1.00 0.00 C ATOM 1599 OXT LEU A 111 98.388 -7.738 4.248 1.00 0.00 O ATOM 0 H LEU A 111 97.245 -4.676 2.836 1.00 0.00 H new ATOM 0 HA LEU A 111 98.858 -6.920 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 111 99.630 -4.238 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.738 -5.380 2.327 1.00 0.00 H new ATOM 0 HG LEU A 111 98.375 -4.364 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.798 -2.502 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.494 -2.349 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 111 101.064 -2.953 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.936 -4.748 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.208 -5.223 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.742 -6.217 -0.172 1.00 0.00 H new TER 1611 LEU A 111