USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=39 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 -29:sc= 0.188 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= -3.98! C(o=-4!,f=-4.5!) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 92 GLN : amide:sc= 0 K(o=-4,f=-5.2!) USER MOD Set 2.4: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 SER OG : rot -140:sc= 0.0497 USER MOD Set 3.2: A 31 SER OG : rot -179:sc= -0.414 USER MOD Single : A 1 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ -169:sc= 0 (180deg=-0.0807) 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 6 GLN : amide:sc= -7.8! C(o=-7.8!,f=-8.1!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 9 SER OG : rot 33:sc= 0.17 USER MOD Single : A 11 SER OG : rot 180:sc= -0.636 USER MOD Single : A 13 SER OG : rot 180:sc= -0.249 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 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.26 USER MOD Single : A 32 ASN : amide:sc= -2.7 X(o=-2.7,f=-2.4) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.72! C(o=-5.7!,f=-14!) USER MOD Single : A 39 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-1.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=0.000116 USER MOD Single : A 46 THR OG1 : rot -170:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -4.62! K(o=-4.6!,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.113 X(o=-0.11,f=0) 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= -0.167 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 70 SER OG : rot 180:sc= 0.019 USER MOD Single : A 72 ASN : amide:sc= -0.452! C(o=-0.45!,f=-3.8!) USER MOD Single : A 75 SER OG : rot 113:sc= 0.245 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 89 TYR OH : rot 168:sc= 0.224 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 159:sc= -1 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.0459 X(o=0.046,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.39) USER MOD Single : A 106 THR OG1 : rot -20:sc= 1.76 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 71.232 7.998 -17.685 1.00 0.00 N ATOM 2 CA ASN A 1 71.115 9.362 -17.097 1.00 0.00 C ATOM 3 C ASN A 1 71.905 9.421 -15.794 1.00 0.00 C ATOM 4 O ASN A 1 73.054 9.865 -15.774 1.00 0.00 O ATOM 5 CB ASN A 1 69.642 9.675 -16.832 1.00 0.00 C ATOM 6 CG ASN A 1 68.877 9.731 -18.150 1.00 0.00 C ATOM 7 OD1 ASN A 1 68.363 8.714 -18.615 1.00 0.00 O ATOM 8 ND2 ASN A 1 68.767 10.868 -18.781 1.00 0.00 N ATOM 0 H1 ASN A 1 70.856 8.005 -18.655 1.00 0.00 H new ATOM 0 H2 ASN A 1 72.232 7.712 -17.703 1.00 0.00 H new ATOM 0 H3 ASN A 1 70.690 7.324 -17.108 1.00 0.00 H new ATOM 0 HA ASN A 1 71.517 10.099 -17.792 1.00 0.00 H new ATOM 0 HB2 ASN A 1 69.210 8.913 -16.183 1.00 0.00 H new ATOM 0 HB3 ASN A 1 69.552 10.627 -16.309 1.00 0.00 H new ATOM 0 HD21 ASN A 1 68.254 10.915 -19.661 1.00 0.00 H new ATOM 0 HD22 ASN A 1 69.194 11.710 -18.394 1.00 0.00 H new ATOM 17 N PHE A 2 71.269 9.013 -14.700 1.00 0.00 N ATOM 18 CA PHE A 2 71.924 9.005 -13.397 1.00 0.00 C ATOM 19 C PHE A 2 72.733 7.723 -13.221 1.00 0.00 C ATOM 20 O PHE A 2 72.252 6.636 -13.540 1.00 0.00 O ATOM 21 CB PHE A 2 70.867 9.114 -12.294 1.00 0.00 C ATOM 22 CG PHE A 2 70.095 7.821 -12.184 1.00 0.00 C ATOM 23 CD1 PHE A 2 70.628 6.762 -11.440 1.00 0.00 C ATOM 24 CD2 PHE A 2 68.893 7.650 -12.880 1.00 0.00 C ATOM 25 CE1 PHE A 2 69.952 5.538 -11.378 1.00 0.00 C ATOM 26 CE2 PHE A 2 68.206 6.433 -12.803 1.00 0.00 C ATOM 27 CZ PHE A 2 68.731 5.379 -12.045 1.00 0.00 C ATOM 0 H PHE A 2 70.303 8.685 -14.690 1.00 0.00 H new ATOM 0 HA PHE A 2 72.603 9.856 -13.332 1.00 0.00 H new ATOM 0 HB2 PHE A 2 71.346 9.342 -11.342 1.00 0.00 H new ATOM 0 HB3 PHE A 2 70.185 9.936 -12.513 1.00 0.00 H new ATOM 0 HD1 PHE A 2 71.562 6.890 -10.913 1.00 0.00 H new ATOM 0 HD2 PHE A 2 68.495 8.457 -13.477 1.00 0.00 H new ATOM 0 HE1 PHE A 2 70.372 4.717 -10.816 1.00 0.00 H new ATOM 0 HE2 PHE A 2 67.271 6.307 -13.328 1.00 0.00 H new ATOM 0 HZ PHE A 2 68.195 4.444 -11.975 1.00 0.00 H new ATOM 37 N MET A 3 73.922 7.837 -12.635 1.00 0.00 N ATOM 38 CA MET A 3 74.735 6.658 -12.363 1.00 0.00 C ATOM 39 C MET A 3 75.710 6.921 -11.218 1.00 0.00 C ATOM 40 O MET A 3 75.915 8.072 -10.831 1.00 0.00 O ATOM 41 CB MET A 3 75.493 6.275 -13.641 1.00 0.00 C ATOM 42 CG MET A 3 75.595 4.753 -13.771 1.00 0.00 C ATOM 43 SD MET A 3 76.289 4.333 -15.390 1.00 0.00 S ATOM 44 CE MET A 3 74.912 3.338 -16.014 1.00 0.00 C ATOM 0 H MET A 3 74.338 8.721 -12.343 1.00 0.00 H new ATOM 0 HA MET A 3 74.088 5.835 -12.060 1.00 0.00 H new ATOM 0 HB2 MET A 3 74.981 6.686 -14.511 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.492 6.712 -13.623 1.00 0.00 H new ATOM 0 HG2 MET A 3 76.225 4.351 -12.978 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.610 4.300 -13.657 1.00 0.00 H new ATOM 0 HE1 MET A 3 75.147 2.979 -17.016 1.00 0.00 H new ATOM 0 HE2 MET A 3 74.749 2.487 -15.353 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.009 3.948 -16.049 1.00 0.00 H new ATOM 54 N LEU A 4 76.384 5.873 -10.750 1.00 0.00 N ATOM 55 CA LEU A 4 77.347 5.999 -9.661 1.00 0.00 C ATOM 56 C LEU A 4 78.747 5.593 -10.107 1.00 0.00 C ATOM 57 O LEU A 4 78.915 4.661 -10.894 1.00 0.00 O ATOM 58 CB LEU A 4 76.901 5.114 -8.495 1.00 0.00 C ATOM 59 CG LEU A 4 75.548 5.605 -7.962 1.00 0.00 C ATOM 60 CD1 LEU A 4 74.748 4.446 -7.362 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.760 6.676 -6.886 1.00 0.00 C ATOM 0 H LEU A 4 76.280 4.924 -11.110 1.00 0.00 H new ATOM 0 HA LEU A 4 77.384 7.043 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 4 76.819 4.078 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.647 5.139 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 4 74.991 6.029 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 4 73.793 4.817 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 4 74.571 3.691 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 4 75.310 4.003 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.793 7.016 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.336 6.255 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.302 7.519 -7.314 1.00 0.00 H new ATOM 73 N THR A 5 79.746 6.337 -9.641 1.00 0.00 N ATOM 74 CA THR A 5 81.138 6.073 -9.996 1.00 0.00 C ATOM 75 C THR A 5 82.009 5.994 -8.745 1.00 0.00 C ATOM 76 O THR A 5 81.880 6.809 -7.831 1.00 0.00 O ATOM 77 CB THR A 5 81.661 7.185 -10.909 1.00 0.00 C ATOM 78 OG1 THR A 5 83.077 7.103 -10.984 1.00 0.00 O ATOM 79 CG2 THR A 5 81.255 8.553 -10.354 1.00 0.00 C ATOM 0 H THR A 5 79.617 7.131 -9.014 1.00 0.00 H new ATOM 0 HA THR A 5 81.184 5.117 -10.517 1.00 0.00 H new ATOM 0 HB THR A 5 81.233 7.065 -11.904 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.415 7.813 -11.569 1.00 0.00 H new ATOM 0 HG21 THR A 5 81.631 9.338 -11.010 1.00 0.00 H new ATOM 0 HG22 THR A 5 80.168 8.616 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 5 81.676 8.681 -9.357 1.00 0.00 H new ATOM 87 N GLN A 6 82.847 4.964 -8.673 1.00 0.00 N ATOM 88 CA GLN A 6 83.694 4.742 -7.504 1.00 0.00 C ATOM 89 C GLN A 6 85.026 4.145 -7.952 1.00 0.00 C ATOM 90 O GLN A 6 85.113 3.567 -9.035 1.00 0.00 O ATOM 91 CB GLN A 6 82.990 3.828 -6.488 1.00 0.00 C ATOM 92 CG GLN A 6 81.558 3.526 -6.932 1.00 0.00 C ATOM 93 CD GLN A 6 80.912 2.548 -5.960 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.712 2.647 -5.707 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.635 1.614 -5.403 1.00 0.00 N ATOM 0 H GLN A 6 82.958 4.269 -9.411 1.00 0.00 H new ATOM 0 HA GLN A 6 83.883 5.695 -7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.547 2.897 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 6 82.979 4.306 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.978 4.448 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.560 3.105 -7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.629 1.541 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.206 0.957 -4.751 1.00 0.00 H new ATOM 104 N PRO A 7 86.022 4.166 -7.107 1.00 0.00 N ATOM 105 CA PRO A 7 87.376 3.656 -7.462 1.00 0.00 C ATOM 106 C PRO A 7 87.299 2.235 -8.012 1.00 0.00 C ATOM 107 O PRO A 7 86.553 1.403 -7.497 1.00 0.00 O ATOM 108 CB PRO A 7 88.165 3.714 -6.145 1.00 0.00 C ATOM 109 CG PRO A 7 87.247 4.284 -5.109 1.00 0.00 C ATOM 110 CD PRO A 7 86.072 4.926 -5.849 1.00 0.00 C ATOM 0 HA PRO A 7 87.852 4.244 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.504 2.720 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.054 4.334 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.896 3.503 -4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.767 5.022 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.143 4.837 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.238 5.989 -6.025 1.00 0.00 H new ATOM 118 N HIS A 8 88.046 1.975 -9.079 1.00 0.00 N ATOM 119 CA HIS A 8 88.059 0.646 -9.678 1.00 0.00 C ATOM 120 C HIS A 8 88.782 -0.337 -8.760 1.00 0.00 C ATOM 121 O HIS A 8 88.481 -1.531 -8.767 1.00 0.00 O ATOM 122 CB HIS A 8 88.720 0.715 -11.063 1.00 0.00 C ATOM 123 CG HIS A 8 87.775 0.257 -12.142 1.00 0.00 C ATOM 124 ND1 HIS A 8 86.629 0.964 -12.468 1.00 0.00 N ATOM 125 CD2 HIS A 8 87.751 -0.878 -12.918 1.00 0.00 C ATOM 126 CE1 HIS A 8 85.981 0.269 -13.419 1.00 0.00 C ATOM 127 NE2 HIS A 8 86.623 -0.858 -13.736 1.00 0.00 N ATOM 0 H HIS A 8 88.644 2.659 -9.543 1.00 0.00 H new ATOM 0 HA HIS A 8 87.037 0.289 -9.804 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.039 1.737 -11.266 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.615 0.094 -11.073 1.00 0.00 H new ATOM 0 HD2 HIS A 8 88.492 -1.664 -12.897 1.00 0.00 H new ATOM 0 HE1 HIS A 8 85.053 0.584 -13.872 1.00 0.00 H new ATOM 0 HE2 HIS A 8 86.347 -1.555 -14.428 1.00 0.00 H new ATOM 135 N SER A 9 89.831 0.136 -8.094 1.00 0.00 N ATOM 136 CA SER A 9 90.620 -0.734 -7.229 1.00 0.00 C ATOM 137 C SER A 9 91.550 0.081 -6.337 1.00 0.00 C ATOM 138 O SER A 9 91.930 1.201 -6.676 1.00 0.00 O ATOM 139 CB SER A 9 91.443 -1.700 -8.083 1.00 0.00 C ATOM 140 OG SER A 9 92.249 -2.509 -7.238 1.00 0.00 O ATOM 0 H SER A 9 90.151 1.104 -8.135 1.00 0.00 H new ATOM 0 HA SER A 9 89.937 -1.296 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 90.782 -2.327 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.071 -1.143 -8.778 1.00 0.00 H new ATOM 0 HG SER A 9 91.775 -2.676 -6.396 1.00 0.00 H new ATOM 146 N VAL A 10 91.893 -0.482 -5.184 1.00 0.00 N ATOM 147 CA VAL A 10 92.756 0.207 -4.231 1.00 0.00 C ATOM 148 C VAL A 10 93.327 -0.778 -3.216 1.00 0.00 C ATOM 149 O VAL A 10 92.729 -1.817 -2.941 1.00 0.00 O ATOM 150 CB VAL A 10 91.978 1.316 -3.513 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.672 0.771 -2.919 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.847 1.909 -2.400 1.00 0.00 C ATOM 0 H VAL A 10 91.589 -1.409 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 10 93.583 0.658 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 10 91.727 2.091 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.138 1.576 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.050 0.367 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.900 -0.018 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.295 2.698 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.108 1.127 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.757 2.325 -2.832 1.00 0.00 H new ATOM 162 N SER A 11 94.507 -0.464 -2.689 1.00 0.00 N ATOM 163 CA SER A 11 95.181 -1.339 -1.736 1.00 0.00 C ATOM 164 C SER A 11 95.566 -0.560 -0.483 1.00 0.00 C ATOM 165 O SER A 11 95.676 0.665 -0.514 1.00 0.00 O ATOM 166 CB SER A 11 96.445 -1.926 -2.369 1.00 0.00 C ATOM 167 OG SER A 11 96.090 -2.931 -3.306 1.00 0.00 O ATOM 0 H SER A 11 95.017 0.392 -2.907 1.00 0.00 H new ATOM 0 HA SER A 11 94.499 -2.144 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.014 -1.139 -2.864 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.088 -2.347 -1.596 1.00 0.00 H new ATOM 0 HG SER A 11 96.902 -3.303 -3.710 1.00 0.00 H new ATOM 173 N GLU A 12 95.658 -1.263 0.641 1.00 0.00 N ATOM 174 CA GLU A 12 95.973 -0.617 1.910 1.00 0.00 C ATOM 175 C GLU A 12 96.587 -1.613 2.888 1.00 0.00 C ATOM 176 O GLU A 12 96.358 -2.817 2.778 1.00 0.00 O ATOM 177 CB GLU A 12 94.692 -0.031 2.504 1.00 0.00 C ATOM 178 CG GLU A 12 95.040 0.943 3.632 1.00 0.00 C ATOM 179 CD GLU A 12 95.675 2.199 3.045 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.688 2.316 1.830 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.173 3.005 3.814 1.00 0.00 O ATOM 0 H GLU A 12 95.520 -2.272 0.700 1.00 0.00 H new ATOM 0 HA GLU A 12 96.698 0.177 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.124 0.484 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.058 -0.832 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.141 1.205 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.726 0.471 4.335 1.00 0.00 H new ATOM 188 N SER A 13 97.458 -1.131 3.771 1.00 0.00 N ATOM 189 CA SER A 13 98.107 -1.995 4.753 1.00 0.00 C ATOM 190 C SER A 13 97.435 -1.866 6.119 1.00 0.00 C ATOM 191 O SER A 13 96.961 -0.787 6.473 1.00 0.00 O ATOM 192 CB SER A 13 99.584 -1.611 4.869 1.00 0.00 C ATOM 193 OG SER A 13 100.065 -1.956 6.159 1.00 0.00 O ATOM 0 H SER A 13 97.730 -0.150 3.827 1.00 0.00 H new ATOM 0 HA SER A 13 98.017 -3.029 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.165 -2.125 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.707 -0.542 4.698 1.00 0.00 H new ATOM 0 HG SER A 13 101.011 -1.711 6.232 1.00 0.00 H new ATOM 199 N PRO A 14 97.506 -2.873 6.951 1.00 0.00 N ATOM 200 CA PRO A 14 96.856 -2.827 8.291 1.00 0.00 C ATOM 201 C PRO A 14 97.380 -1.655 9.116 1.00 0.00 C ATOM 202 O PRO A 14 98.500 -1.189 8.905 1.00 0.00 O ATOM 203 CB PRO A 14 97.184 -4.174 8.952 1.00 0.00 C ATOM 204 CG PRO A 14 97.979 -4.980 7.972 1.00 0.00 C ATOM 205 CD PRO A 14 98.042 -4.211 6.649 1.00 0.00 C ATOM 0 HA PRO A 14 95.779 -2.675 8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.751 -4.021 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.269 -4.699 9.226 1.00 0.00 H new ATOM 0 HG2 PRO A 14 98.984 -5.158 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.518 -5.956 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.065 -4.150 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.452 -4.706 5.878 1.00 0.00 H new ATOM 213 N GLY A 15 96.593 -1.236 10.102 1.00 0.00 N ATOM 214 CA GLY A 15 96.994 -0.154 10.994 1.00 0.00 C ATOM 215 C GLY A 15 96.382 1.169 10.547 1.00 0.00 C ATOM 216 O GLY A 15 96.136 2.055 11.366 1.00 0.00 O ATOM 0 H GLY A 15 95.674 -1.629 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.679 -0.380 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 15 98.081 -0.071 11.008 1.00 0.00 H new ATOM 220 N LYS A 16 96.228 1.334 9.236 1.00 0.00 N ATOM 221 CA LYS A 16 95.657 2.557 8.682 1.00 0.00 C ATOM 222 C LYS A 16 94.137 2.447 8.599 1.00 0.00 C ATOM 223 O LYS A 16 93.545 1.485 9.090 1.00 0.00 O ATOM 224 CB LYS A 16 96.240 2.831 7.292 1.00 0.00 C ATOM 225 CG LYS A 16 97.689 2.342 7.213 1.00 0.00 C ATOM 226 CD LYS A 16 98.562 3.090 8.224 1.00 0.00 C ATOM 227 CE LYS A 16 100.009 2.592 8.142 1.00 0.00 C ATOM 228 NZ LYS A 16 100.934 3.714 8.468 1.00 0.00 N ATOM 0 H LYS A 16 96.490 0.637 8.539 1.00 0.00 H new ATOM 0 HA LYS A 16 95.911 3.386 9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.639 2.330 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.198 3.899 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.729 1.271 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.076 2.495 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 16 98.526 4.161 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.174 2.940 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.162 1.766 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.219 2.211 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.917 3.380 8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.793 4.489 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.738 4.057 9.430 1.00 0.00 H new ATOM 242 N THR A 17 93.534 3.347 7.828 1.00 0.00 N ATOM 243 CA THR A 17 92.098 3.308 7.570 1.00 0.00 C ATOM 244 C THR A 17 91.813 3.339 6.075 1.00 0.00 C ATOM 245 O THR A 17 92.663 3.713 5.267 1.00 0.00 O ATOM 246 CB THR A 17 91.408 4.507 8.228 1.00 0.00 C ATOM 247 OG1 THR A 17 92.079 5.700 7.849 1.00 0.00 O ATOM 248 CG2 THR A 17 91.450 4.380 9.755 1.00 0.00 C ATOM 0 H THR A 17 94.021 4.117 7.369 1.00 0.00 H new ATOM 0 HA THR A 17 91.711 2.380 7.990 1.00 0.00 H new ATOM 0 HB THR A 17 90.369 4.535 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.639 6.470 8.267 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.955 5.240 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.938 3.467 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.487 4.342 10.089 1.00 0.00 H new ATOM 256 N VAL A 18 90.604 2.918 5.718 1.00 0.00 N ATOM 257 CA VAL A 18 90.171 2.930 4.329 1.00 0.00 C ATOM 258 C VAL A 18 88.886 3.738 4.206 1.00 0.00 C ATOM 259 O VAL A 18 87.844 3.373 4.750 1.00 0.00 O ATOM 260 CB VAL A 18 89.951 1.489 3.870 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.332 1.465 2.473 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.293 0.755 3.855 1.00 0.00 C ATOM 0 H VAL A 18 89.907 2.564 6.374 1.00 0.00 H new ATOM 0 HA VAL A 18 90.930 3.393 3.698 1.00 0.00 H new ATOM 0 HB VAL A 18 89.269 0.994 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.181 0.432 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.373 1.982 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 18 90.000 1.963 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.141 -0.274 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.975 1.257 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.720 0.758 4.858 1.00 0.00 H new ATOM 272 N THR A 19 88.923 4.742 3.338 1.00 0.00 N ATOM 273 CA THR A 19 87.745 5.548 3.059 1.00 0.00 C ATOM 274 C THR A 19 87.396 5.407 1.582 1.00 0.00 C ATOM 275 O THR A 19 88.114 5.899 0.712 1.00 0.00 O ATOM 276 CB THR A 19 88.051 7.002 3.417 1.00 0.00 C ATOM 277 OG1 THR A 19 88.286 7.104 4.814 1.00 0.00 O ATOM 278 CG2 THR A 19 86.863 7.882 3.029 1.00 0.00 C ATOM 0 H THR A 19 89.756 5.016 2.817 1.00 0.00 H new ATOM 0 HA THR A 19 86.893 5.216 3.651 1.00 0.00 H new ATOM 0 HB THR A 19 88.937 7.334 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.484 8.035 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.080 8.919 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.685 7.801 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 19 85.975 7.554 3.569 1.00 0.00 H new ATOM 286 N ILE A 20 86.238 4.816 1.310 1.00 0.00 N ATOM 287 CA ILE A 20 85.757 4.668 -0.057 1.00 0.00 C ATOM 288 C ILE A 20 84.689 5.719 -0.320 1.00 0.00 C ATOM 289 O ILE A 20 83.801 5.916 0.504 1.00 0.00 O ATOM 290 CB ILE A 20 85.171 3.262 -0.200 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.301 2.225 -0.130 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.425 3.135 -1.530 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.788 0.907 0.455 1.00 0.00 C ATOM 0 H ILE A 20 85.615 4.431 2.020 1.00 0.00 H new ATOM 0 HA ILE A 20 86.565 4.803 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 20 84.468 3.083 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.706 2.053 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 20 87.116 2.608 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.012 2.130 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.616 3.864 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.115 3.320 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.604 0.185 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 20 85.405 1.080 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.989 0.516 -0.175 1.00 0.00 H new ATOM 305 N SER A 21 84.787 6.396 -1.459 1.00 0.00 N ATOM 306 CA SER A 21 83.792 7.387 -1.853 1.00 0.00 C ATOM 307 C SER A 21 82.964 6.855 -3.019 1.00 0.00 C ATOM 308 O SER A 21 83.507 6.636 -4.102 1.00 0.00 O ATOM 309 CB SER A 21 84.523 8.672 -2.253 1.00 0.00 C ATOM 310 OG SER A 21 83.585 9.703 -2.518 1.00 0.00 O ATOM 0 H SER A 21 85.548 6.276 -2.128 1.00 0.00 H new ATOM 0 HA SER A 21 83.115 7.594 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.198 8.980 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.136 8.491 -3.136 1.00 0.00 H new ATOM 0 HG SER A 21 84.061 10.521 -2.771 1.00 0.00 H new ATOM 316 N CYS A 22 81.639 6.839 -2.869 1.00 0.00 N ATOM 317 CA CYS A 22 80.744 6.466 -3.965 1.00 0.00 C ATOM 318 C CYS A 22 79.949 7.723 -4.338 1.00 0.00 C ATOM 319 O CYS A 22 79.329 8.352 -3.479 1.00 0.00 O ATOM 320 CB CYS A 22 79.793 5.305 -3.595 1.00 0.00 C ATOM 321 SG CYS A 22 80.568 3.921 -2.696 1.00 0.00 S ATOM 0 H CYS A 22 81.162 7.080 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 22 81.333 6.101 -4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 22 78.980 5.702 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.346 4.917 -4.510 1.00 0.00 H new ATOM 326 N THR A 23 80.129 8.208 -5.568 1.00 0.00 N ATOM 327 CA THR A 23 79.518 9.462 -6.017 1.00 0.00 C ATOM 328 C THR A 23 78.475 9.193 -7.097 1.00 0.00 C ATOM 329 O THR A 23 78.700 8.373 -7.986 1.00 0.00 O ATOM 330 CB THR A 23 80.570 10.416 -6.593 1.00 0.00 C ATOM 331 OG1 THR A 23 81.499 10.764 -5.577 1.00 0.00 O ATOM 332 CG2 THR A 23 79.918 11.697 -7.130 1.00 0.00 C ATOM 0 H THR A 23 80.698 7.747 -6.277 1.00 0.00 H new ATOM 0 HA THR A 23 79.048 9.920 -5.147 1.00 0.00 H new ATOM 0 HB THR A 23 81.076 9.909 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.173 11.373 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.687 12.356 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.210 11.442 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.393 12.205 -6.321 1.00 0.00 H new ATOM 340 N GLY A 24 77.383 9.954 -7.071 1.00 0.00 N ATOM 341 CA GLY A 24 76.298 9.791 -8.035 1.00 0.00 C ATOM 342 C GLY A 24 76.075 11.065 -8.842 1.00 0.00 C ATOM 343 O GLY A 24 76.532 12.143 -8.464 1.00 0.00 O ATOM 0 H GLY A 24 77.226 10.695 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.530 8.967 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.380 9.525 -7.511 1.00 0.00 H new ATOM 347 N SER A 25 75.446 10.913 -10.004 1.00 0.00 N ATOM 348 CA SER A 25 75.175 12.040 -10.890 1.00 0.00 C ATOM 349 C SER A 25 73.670 12.209 -11.068 1.00 0.00 C ATOM 350 O SER A 25 72.930 11.230 -11.168 1.00 0.00 O ATOM 351 CB SER A 25 75.840 11.798 -12.247 1.00 0.00 C ATOM 352 OG SER A 25 76.009 13.037 -12.920 1.00 0.00 O ATOM 0 H SER A 25 75.113 10.015 -10.355 1.00 0.00 H new ATOM 0 HA SER A 25 75.582 12.950 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.806 11.312 -12.109 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.228 11.126 -12.849 1.00 0.00 H new ATOM 0 HG SER A 25 76.436 12.882 -13.788 1.00 0.00 H new ATOM 358 N SER A 26 73.225 13.457 -11.159 1.00 0.00 N ATOM 359 CA SER A 26 71.809 13.742 -11.363 1.00 0.00 C ATOM 360 C SER A 26 70.980 13.170 -10.217 1.00 0.00 C ATOM 361 O SER A 26 69.762 13.341 -10.179 1.00 0.00 O ATOM 362 CB SER A 26 71.337 13.153 -12.697 1.00 0.00 C ATOM 363 OG SER A 26 70.049 12.574 -12.546 1.00 0.00 O ATOM 0 H SER A 26 73.820 14.283 -11.095 1.00 0.00 H new ATOM 0 HA SER A 26 71.674 14.823 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 26 71.307 13.933 -13.458 1.00 0.00 H new ATOM 0 HB3 SER A 26 72.045 12.399 -13.042 1.00 0.00 H new ATOM 0 HG SER A 26 69.755 12.202 -13.404 1.00 0.00 H new ATOM 369 N GLY A 27 71.647 12.516 -9.270 1.00 0.00 N ATOM 370 CA GLY A 27 70.964 11.874 -8.151 1.00 0.00 C ATOM 371 C GLY A 27 71.588 12.303 -6.827 1.00 0.00 C ATOM 372 O GLY A 27 72.767 12.650 -6.773 1.00 0.00 O ATOM 0 H GLY A 27 72.662 12.417 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.906 12.137 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 27 71.024 10.791 -8.254 1.00 0.00 H new ATOM 376 N SER A 28 70.785 12.295 -5.766 1.00 0.00 N ATOM 377 CA SER A 28 71.266 12.649 -4.433 1.00 0.00 C ATOM 378 C SER A 28 71.461 11.390 -3.595 1.00 0.00 C ATOM 379 O SER A 28 70.693 10.434 -3.696 1.00 0.00 O ATOM 380 CB SER A 28 70.264 13.598 -3.765 1.00 0.00 C ATOM 381 OG SER A 28 68.996 13.454 -4.387 1.00 0.00 O ATOM 0 H SER A 28 69.796 12.047 -5.804 1.00 0.00 H new ATOM 0 HA SER A 28 72.228 13.154 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.188 13.374 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.609 14.628 -3.850 1.00 0.00 H new ATOM 0 HG SER A 28 68.577 14.335 -4.483 1.00 0.00 H new ATOM 387 N ILE A 29 72.497 11.401 -2.761 1.00 0.00 N ATOM 388 CA ILE A 29 72.802 10.266 -1.895 1.00 0.00 C ATOM 389 C ILE A 29 72.243 10.499 -0.495 1.00 0.00 C ATOM 390 O ILE A 29 72.177 9.570 0.311 1.00 0.00 O ATOM 391 CB ILE A 29 74.315 10.028 -1.832 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.073 11.354 -1.701 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.796 9.323 -3.103 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.902 11.983 -0.317 1.00 0.00 C ATOM 0 H ILE A 29 73.141 12.186 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 29 72.330 9.377 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 29 74.513 9.406 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.133 11.185 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.718 12.050 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.872 9.161 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.289 8.363 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.570 9.943 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.457 12.920 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.845 12.178 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 29 75.282 11.300 0.443 1.00 0.00 H new ATOM 406 N ALA A 30 71.868 11.739 -0.192 1.00 0.00 N ATOM 407 CA ALA A 30 71.310 12.061 1.119 1.00 0.00 C ATOM 408 C ALA A 30 69.786 12.049 1.050 1.00 0.00 C ATOM 409 O ALA A 30 69.112 11.915 2.071 1.00 0.00 O ATOM 410 CB ALA A 30 71.799 13.446 1.564 1.00 0.00 C ATOM 0 H ALA A 30 71.939 12.532 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 30 71.640 11.315 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 30 71.381 13.683 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.887 13.445 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.477 14.195 0.841 1.00 0.00 H new ATOM 416 N SER A 31 69.259 12.113 -0.168 1.00 0.00 N ATOM 417 CA SER A 31 67.817 12.060 -0.369 1.00 0.00 C ATOM 418 C SER A 31 67.344 10.611 -0.374 1.00 0.00 C ATOM 419 O SER A 31 66.158 10.332 -0.195 1.00 0.00 O ATOM 420 CB SER A 31 67.451 12.725 -1.698 1.00 0.00 C ATOM 421 OG SER A 31 68.080 13.997 -1.775 1.00 0.00 O ATOM 0 H SER A 31 69.805 12.201 -1.025 1.00 0.00 H new ATOM 0 HA SER A 31 67.328 12.593 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 67.769 12.098 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 66.370 12.836 -1.777 1.00 0.00 H new ATOM 0 HG SER A 31 67.836 14.432 -2.619 1.00 0.00 H new ATOM 427 N ASN A 32 68.297 9.693 -0.492 1.00 0.00 N ATOM 428 CA ASN A 32 67.988 8.268 -0.537 1.00 0.00 C ATOM 429 C ASN A 32 68.923 7.494 0.385 1.00 0.00 C ATOM 430 O ASN A 32 69.947 8.009 0.831 1.00 0.00 O ATOM 431 CB ASN A 32 68.159 7.731 -1.960 1.00 0.00 C ATOM 432 CG ASN A 32 67.309 8.535 -2.939 1.00 0.00 C ATOM 433 OD1 ASN A 32 67.748 8.821 -4.053 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.118 8.930 -2.585 1.00 0.00 N ATOM 0 H ASN A 32 69.291 9.910 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 32 66.955 8.138 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 32 69.208 7.784 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.870 6.681 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.549 9.477 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.755 8.692 -1.662 1.00 0.00 H new ATOM 441 N TYR A 33 68.535 6.260 0.688 1.00 0.00 N ATOM 442 CA TYR A 33 69.301 5.414 1.595 1.00 0.00 C ATOM 443 C TYR A 33 70.331 4.602 0.816 1.00 0.00 C ATOM 444 O TYR A 33 70.098 4.256 -0.342 1.00 0.00 O ATOM 445 CB TYR A 33 68.336 4.467 2.311 1.00 0.00 C ATOM 446 CG TYR A 33 67.271 5.275 3.013 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.587 6.003 4.167 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.988 5.365 2.459 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.601 6.766 4.804 1.00 0.00 C ATOM 450 CE2 TYR A 33 65.004 6.133 3.091 1.00 0.00 C ATOM 451 CZ TYR A 33 65.311 6.833 4.265 1.00 0.00 C ATOM 452 OH TYR A 33 64.363 7.652 4.845 1.00 0.00 O ATOM 0 H TYR A 33 67.692 5.822 0.317 1.00 0.00 H new ATOM 0 HA TYR A 33 69.825 6.037 2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.878 3.786 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.878 3.854 3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.591 5.976 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.758 4.841 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.836 7.303 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 33 64.009 6.186 2.674 1.00 0.00 H new ATOM 0 HH TYR A 33 63.522 7.582 4.347 1.00 0.00 H new ATOM 462 N VAL A 34 71.496 4.364 1.416 1.00 0.00 N ATOM 463 CA VAL A 34 72.573 3.649 0.738 1.00 0.00 C ATOM 464 C VAL A 34 72.992 2.443 1.571 1.00 0.00 C ATOM 465 O VAL A 34 73.084 2.523 2.797 1.00 0.00 O ATOM 466 CB VAL A 34 73.761 4.590 0.525 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.918 3.845 -0.146 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.327 5.755 -0.366 1.00 0.00 C ATOM 0 H VAL A 34 71.717 4.656 2.368 1.00 0.00 H new ATOM 0 HA VAL A 34 72.224 3.300 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 34 74.095 4.963 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.755 4.528 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.232 3.015 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.592 3.461 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.170 6.428 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.988 5.371 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.513 6.297 0.115 1.00 0.00 H new ATOM 478 N GLN A 35 73.301 1.341 0.893 1.00 0.00 N ATOM 479 CA GLN A 35 73.752 0.126 1.563 1.00 0.00 C ATOM 480 C GLN A 35 75.106 -0.284 0.996 1.00 0.00 C ATOM 481 O GLN A 35 75.463 0.105 -0.116 1.00 0.00 O ATOM 482 CB GLN A 35 72.755 -1.010 1.321 1.00 0.00 C ATOM 483 CG GLN A 35 71.364 -0.619 1.829 1.00 0.00 C ATOM 484 CD GLN A 35 70.296 -1.475 1.156 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.489 -1.940 0.033 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.158 -1.679 1.760 1.00 0.00 N ATOM 0 H GLN A 35 73.247 1.265 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 35 73.830 0.319 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.709 -1.241 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.093 -1.913 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.315 -0.747 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.177 0.435 1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.998 -1.294 2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.428 -2.224 1.302 1.00 0.00 H new ATOM 495 N TRP A 36 75.892 -0.995 1.797 1.00 0.00 N ATOM 496 CA TRP A 36 77.229 -1.416 1.387 1.00 0.00 C ATOM 497 C TRP A 36 77.283 -2.931 1.229 1.00 0.00 C ATOM 498 O TRP A 36 76.600 -3.664 1.943 1.00 0.00 O ATOM 499 CB TRP A 36 78.249 -0.972 2.436 1.00 0.00 C ATOM 500 CG TRP A 36 78.457 0.505 2.346 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.677 1.442 2.932 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.494 1.227 1.621 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.181 2.692 2.630 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.298 2.616 1.822 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.592 0.817 0.847 1.00 0.00 C ATOM 506 CZ2 TRP A 36 80.135 3.564 1.225 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.423 1.764 0.237 1.00 0.00 C ATOM 508 CH2 TRP A 36 81.194 3.134 0.417 1.00 0.00 C ATOM 0 H TRP A 36 75.627 -1.293 2.736 1.00 0.00 H new ATOM 0 HA TRP A 36 77.466 -0.955 0.428 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.899 -1.239 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.194 -1.492 2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.804 1.245 3.536 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.776 3.567 2.964 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.797 -0.236 0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.966 4.618 1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.248 1.435 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.833 3.857 -0.067 1.00 0.00 H new ATOM 519 N TYR A 37 78.061 -3.384 0.251 1.00 0.00 N ATOM 520 CA TYR A 37 78.187 -4.807 -0.045 1.00 0.00 C ATOM 521 C TYR A 37 79.654 -5.156 -0.281 1.00 0.00 C ATOM 522 O TYR A 37 80.455 -4.309 -0.678 1.00 0.00 O ATOM 523 CB TYR A 37 77.349 -5.156 -1.281 1.00 0.00 C ATOM 524 CG TYR A 37 75.932 -5.497 -0.880 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.065 -4.489 -0.440 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.510 -6.833 -0.872 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.761 -4.812 -0.043 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.202 -7.154 -0.489 1.00 0.00 C ATOM 529 CZ TYR A 37 73.328 -6.143 -0.073 1.00 0.00 C ATOM 530 OH TYR A 37 72.045 -6.459 0.326 1.00 0.00 O ATOM 0 H TYR A 37 78.618 -2.781 -0.354 1.00 0.00 H new ATOM 0 HA TYR A 37 77.820 -5.387 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.345 -4.315 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.798 -5.999 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.402 -3.463 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.195 -7.616 -1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.089 -4.033 0.287 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.868 -8.181 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 37 71.905 -7.425 0.243 1.00 0.00 H new ATOM 540 N GLN A 38 79.993 -6.417 -0.036 1.00 0.00 N ATOM 541 CA GLN A 38 81.353 -6.908 -0.236 1.00 0.00 C ATOM 542 C GLN A 38 81.269 -8.257 -0.942 1.00 0.00 C ATOM 543 O GLN A 38 80.565 -9.154 -0.477 1.00 0.00 O ATOM 544 CB GLN A 38 82.035 -7.048 1.134 1.00 0.00 C ATOM 545 CG GLN A 38 83.299 -6.187 1.261 1.00 0.00 C ATOM 546 CD GLN A 38 84.531 -6.945 0.775 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.447 -8.130 0.453 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.691 -6.348 0.765 1.00 0.00 N ATOM 0 H GLN A 38 79.340 -7.123 0.304 1.00 0.00 H new ATOM 0 HA GLN A 38 81.938 -6.219 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.330 -6.767 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.295 -8.093 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.179 -5.272 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.438 -5.890 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.761 -5.366 1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.527 -6.863 0.490 1.00 0.00 H new ATOM 557 N GLN A 39 82.136 -8.463 -1.929 1.00 0.00 N ATOM 558 CA GLN A 39 82.167 -9.728 -2.659 1.00 0.00 C ATOM 559 C GLN A 39 83.537 -10.378 -2.495 1.00 0.00 C ATOM 560 O GLN A 39 84.501 -10.007 -3.165 1.00 0.00 O ATOM 561 CB GLN A 39 81.869 -9.472 -4.141 1.00 0.00 C ATOM 562 CG GLN A 39 81.217 -10.700 -4.780 1.00 0.00 C ATOM 563 CD GLN A 39 80.833 -10.398 -6.225 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.544 -9.252 -6.567 1.00 0.00 O ATOM 565 NE2 GLN A 39 80.724 -11.384 -7.073 1.00 0.00 N ATOM 0 H GLN A 39 82.822 -7.776 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 39 81.409 -10.402 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 39 81.209 -8.610 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.793 -9.229 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.905 -11.545 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.332 -10.988 -4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 39 80.965 -12.333 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 39 80.398 -11.206 -8.023 1.00 0.00 H new ATOM 574 N ARG A 40 83.619 -11.316 -1.557 1.00 0.00 N ATOM 575 CA ARG A 40 84.870 -12.012 -1.283 1.00 0.00 C ATOM 576 C ARG A 40 85.019 -13.207 -2.224 1.00 0.00 C ATOM 577 O ARG A 40 84.087 -14.004 -2.342 1.00 0.00 O ATOM 578 CB ARG A 40 84.898 -12.499 0.168 1.00 0.00 C ATOM 579 CG ARG A 40 84.719 -11.325 1.140 1.00 0.00 C ATOM 580 CD ARG A 40 83.253 -11.173 1.547 1.00 0.00 C ATOM 581 NE ARG A 40 82.847 -12.309 2.366 1.00 0.00 N ATOM 582 CZ ARG A 40 81.851 -12.209 3.241 1.00 0.00 C ATOM 583 NH1 ARG A 40 80.780 -11.532 2.929 1.00 0.00 N ATOM 584 NH2 ARG A 40 81.984 -12.703 4.442 1.00 0.00 N ATOM 0 H ARG A 40 82.835 -11.611 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 40 85.696 -11.319 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.107 -13.232 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.843 -13.003 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.332 -11.485 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.068 -10.404 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 40 83.115 -10.245 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 40 82.624 -11.110 0.659 1.00 0.00 H new ATOM 0 HE ARG A 40 83.337 -13.198 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 40 80.709 -11.082 2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 40 80.014 -11.453 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.853 -13.166 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 40 81.219 -12.626 5.113 1.00 0.00 H new ATOM 598 N PRO A 41 86.145 -13.401 -2.862 1.00 0.00 N ATOM 599 CA PRO A 41 86.311 -14.552 -3.792 1.00 0.00 C ATOM 600 C PRO A 41 86.050 -15.871 -3.068 1.00 0.00 C ATOM 601 O PRO A 41 86.628 -16.131 -2.013 1.00 0.00 O ATOM 602 CB PRO A 41 87.754 -14.459 -4.309 1.00 0.00 C ATOM 603 CG PRO A 41 88.372 -13.232 -3.713 1.00 0.00 C ATOM 604 CD PRO A 41 87.317 -12.512 -2.867 1.00 0.00 C ATOM 0 HA PRO A 41 85.599 -14.519 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.319 -15.347 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.768 -14.404 -5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.230 -13.502 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.739 -12.573 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.680 -12.335 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.070 -11.539 -3.292 1.00 0.00 H new ATOM 612 N GLY A 42 85.297 -16.756 -3.713 1.00 0.00 N ATOM 613 CA GLY A 42 85.014 -18.073 -3.149 1.00 0.00 C ATOM 614 C GLY A 42 83.704 -18.076 -2.367 1.00 0.00 C ATOM 615 O GLY A 42 83.184 -19.136 -2.020 1.00 0.00 O ATOM 0 H GLY A 42 84.872 -16.587 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.962 -18.810 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.831 -18.372 -2.493 1.00 0.00 H new ATOM 619 N SER A 43 83.121 -16.896 -2.173 1.00 0.00 N ATOM 620 CA SER A 43 81.846 -16.773 -1.472 1.00 0.00 C ATOM 621 C SER A 43 80.935 -15.792 -2.201 1.00 0.00 C ATOM 622 O SER A 43 81.313 -15.235 -3.233 1.00 0.00 O ATOM 623 CB SER A 43 82.078 -16.278 -0.042 1.00 0.00 C ATOM 624 OG SER A 43 82.789 -17.265 0.691 1.00 0.00 O ATOM 0 H SER A 43 83.512 -16.010 -2.492 1.00 0.00 H new ATOM 0 HA SER A 43 81.371 -17.754 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 43 82.640 -15.344 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 43 81.124 -16.068 0.441 1.00 0.00 H new ATOM 0 HG SER A 43 82.939 -16.948 1.606 1.00 0.00 H new ATOM 630 N SER A 44 79.708 -15.641 -1.710 1.00 0.00 N ATOM 631 CA SER A 44 78.733 -14.773 -2.363 1.00 0.00 C ATOM 632 C SER A 44 78.792 -13.373 -1.755 1.00 0.00 C ATOM 633 O SER A 44 79.497 -13.161 -0.769 1.00 0.00 O ATOM 634 CB SER A 44 77.328 -15.368 -2.210 1.00 0.00 C ATOM 635 OG SER A 44 77.434 -16.770 -2.014 1.00 0.00 O ATOM 0 H SER A 44 79.367 -16.105 -0.868 1.00 0.00 H new ATOM 0 HA SER A 44 78.968 -14.699 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.815 -14.908 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.732 -15.157 -3.098 1.00 0.00 H new ATOM 0 HG SER A 44 76.538 -17.155 -1.914 1.00 0.00 H new ATOM 641 N PRO A 45 78.067 -12.424 -2.290 1.00 0.00 N ATOM 642 CA PRO A 45 78.032 -11.041 -1.736 1.00 0.00 C ATOM 643 C PRO A 45 77.257 -10.977 -0.421 1.00 0.00 C ATOM 644 O PRO A 45 76.203 -11.599 -0.282 1.00 0.00 O ATOM 645 CB PRO A 45 77.358 -10.204 -2.835 1.00 0.00 C ATOM 646 CG PRO A 45 77.095 -11.128 -3.982 1.00 0.00 C ATOM 647 CD PRO A 45 77.138 -12.552 -3.424 1.00 0.00 C ATOM 0 HA PRO A 45 79.028 -10.672 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.429 -9.765 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.001 -9.380 -3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 45 76.125 -10.919 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.844 -10.997 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.153 -12.892 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.498 -13.267 -4.164 1.00 0.00 H new ATOM 655 N THR A 46 77.704 -10.108 0.480 1.00 0.00 N ATOM 656 CA THR A 46 77.026 -9.895 1.755 1.00 0.00 C ATOM 657 C THR A 46 76.962 -8.404 2.076 1.00 0.00 C ATOM 658 O THR A 46 77.949 -7.683 1.929 1.00 0.00 O ATOM 659 CB THR A 46 77.775 -10.632 2.869 1.00 0.00 C ATOM 660 OG1 THR A 46 77.892 -12.004 2.518 1.00 0.00 O ATOM 661 CG2 THR A 46 77.029 -10.527 4.205 1.00 0.00 C ATOM 0 H THR A 46 78.539 -9.536 0.350 1.00 0.00 H new ATOM 0 HA THR A 46 76.010 -10.284 1.683 1.00 0.00 H new ATOM 0 HB THR A 46 78.758 -10.174 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 46 78.226 -12.511 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.586 -11.060 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 46 76.933 -9.478 4.487 1.00 0.00 H new ATOM 0 HG23 THR A 46 76.037 -10.968 4.104 1.00 0.00 H new ATOM 669 N THR A 47 75.792 -7.948 2.514 1.00 0.00 N ATOM 670 CA THR A 47 75.624 -6.558 2.920 1.00 0.00 C ATOM 671 C THR A 47 76.553 -6.218 4.081 1.00 0.00 C ATOM 672 O THR A 47 76.539 -6.893 5.110 1.00 0.00 O ATOM 673 CB THR A 47 74.168 -6.320 3.328 1.00 0.00 C ATOM 674 OG1 THR A 47 73.980 -4.941 3.611 1.00 0.00 O ATOM 675 CG2 THR A 47 73.815 -7.139 4.574 1.00 0.00 C ATOM 0 H THR A 47 74.950 -8.518 2.596 1.00 0.00 H new ATOM 0 HA THR A 47 75.879 -5.913 2.079 1.00 0.00 H new ATOM 0 HB THR A 47 73.521 -6.629 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.048 -4.785 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.776 -6.956 4.848 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.953 -8.200 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.465 -6.845 5.399 1.00 0.00 H new ATOM 683 N VAL A 48 77.242 -5.085 3.975 1.00 0.00 N ATOM 684 CA VAL A 48 78.181 -4.666 5.012 1.00 0.00 C ATOM 685 C VAL A 48 77.524 -3.673 5.967 1.00 0.00 C ATOM 686 O VAL A 48 77.670 -3.795 7.183 1.00 0.00 O ATOM 687 CB VAL A 48 79.417 -4.013 4.383 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.500 -3.825 5.452 1.00 0.00 C ATOM 689 CG2 VAL A 48 79.956 -4.865 3.224 1.00 0.00 C ATOM 0 H VAL A 48 77.169 -4.443 3.186 1.00 0.00 H new ATOM 0 HA VAL A 48 78.481 -5.554 5.568 1.00 0.00 H new ATOM 0 HB VAL A 48 79.132 -3.040 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.378 -3.361 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.118 -3.185 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.775 -4.795 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.833 -4.381 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.232 -5.852 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.186 -4.967 2.459 1.00 0.00 H new ATOM 699 N ILE A 49 76.767 -2.720 5.430 1.00 0.00 N ATOM 700 CA ILE A 49 76.056 -1.745 6.254 1.00 0.00 C ATOM 701 C ILE A 49 74.659 -1.515 5.687 1.00 0.00 C ATOM 702 O ILE A 49 74.347 -1.965 4.584 1.00 0.00 O ATOM 703 CB ILE A 49 76.845 -0.431 6.304 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.103 -0.665 7.144 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.999 0.704 6.894 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.873 0.643 7.324 1.00 0.00 C ATOM 0 H ILE A 49 76.630 -2.602 4.426 1.00 0.00 H new ATOM 0 HA ILE A 49 75.960 -2.128 7.270 1.00 0.00 H new ATOM 0 HB ILE A 49 77.119 -0.128 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.828 -1.070 8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.739 -1.406 6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.586 1.622 6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.113 0.855 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.696 0.443 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.765 0.461 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.165 1.031 6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.239 1.372 7.829 1.00 0.00 H new ATOM 718 N TYR A 50 73.812 -0.842 6.460 1.00 0.00 N ATOM 719 CA TYR A 50 72.444 -0.568 6.029 1.00 0.00 C ATOM 720 C TYR A 50 72.071 0.890 6.281 1.00 0.00 C ATOM 721 O TYR A 50 72.482 1.503 7.266 1.00 0.00 O ATOM 722 CB TYR A 50 71.485 -1.513 6.766 1.00 0.00 C ATOM 723 CG TYR A 50 70.463 -2.095 5.815 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.896 -2.858 4.724 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.094 -1.923 6.053 1.00 0.00 C ATOM 726 CE1 TYR A 50 69.961 -3.412 3.842 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.160 -2.462 5.160 1.00 0.00 C ATOM 728 CZ TYR A 50 68.593 -3.218 4.064 1.00 0.00 C ATOM 729 OH TYR A 50 67.671 -3.779 3.204 1.00 0.00 O ATOM 0 H TYR A 50 74.046 -0.478 7.383 1.00 0.00 H new ATOM 0 HA TYR A 50 72.367 -0.742 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.051 -2.318 7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.978 -0.972 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.952 -3.019 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 50 68.760 -1.376 6.922 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.295 -3.988 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.105 -2.294 5.317 1.00 0.00 H new ATOM 0 HH TYR A 50 66.765 -3.550 3.500 1.00 0.00 H new ATOM 739 N GLU A 51 71.266 1.423 5.369 1.00 0.00 N ATOM 740 CA GLU A 51 70.803 2.805 5.435 1.00 0.00 C ATOM 741 C GLU A 51 71.939 3.754 5.798 1.00 0.00 C ATOM 742 O GLU A 51 71.703 4.855 6.297 1.00 0.00 O ATOM 743 CB GLU A 51 69.726 2.927 6.516 1.00 0.00 C ATOM 744 CG GLU A 51 68.649 1.852 6.342 1.00 0.00 C ATOM 745 CD GLU A 51 67.858 1.683 7.635 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.181 2.355 8.601 1.00 0.00 O ATOM 747 OE2 GLU A 51 67.000 0.816 7.670 1.00 0.00 O ATOM 0 H GLU A 51 70.915 0.908 4.561 1.00 0.00 H new ATOM 0 HA GLU A 51 70.411 3.072 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.183 2.833 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.269 3.915 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.977 2.129 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 51 69.112 0.905 6.064 1.00 0.00 H new ATOM 754 N ASP A 52 73.167 3.306 5.570 1.00 0.00 N ATOM 755 CA ASP A 52 74.342 4.144 5.774 1.00 0.00 C ATOM 756 C ASP A 52 74.231 4.869 7.110 1.00 0.00 C ATOM 757 O ASP A 52 74.924 5.856 7.355 1.00 0.00 O ATOM 758 CB ASP A 52 74.485 5.169 4.650 1.00 0.00 C ATOM 759 CG ASP A 52 73.250 6.061 4.603 1.00 0.00 C ATOM 760 OD1 ASP A 52 73.017 6.760 5.576 1.00 0.00 O ATOM 761 OD2 ASP A 52 72.624 6.116 3.558 1.00 0.00 O ATOM 0 H ASP A 52 73.376 2.363 5.242 1.00 0.00 H new ATOM 0 HA ASP A 52 75.223 3.503 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 52 75.377 5.775 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.613 4.659 3.695 1.00 0.00 H new ATOM 766 N ASN A 53 73.369 4.355 7.981 1.00 0.00 N ATOM 767 CA ASN A 53 73.130 4.958 9.289 1.00 0.00 C ATOM 768 C ASN A 53 73.634 4.042 10.400 1.00 0.00 C ATOM 769 O ASN A 53 73.867 4.486 11.524 1.00 0.00 O ATOM 770 CB ASN A 53 71.635 5.232 9.468 1.00 0.00 C ATOM 771 CG ASN A 53 71.226 6.457 8.655 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.060 6.851 8.670 1.00 0.00 O ATOM 773 ND2 ASN A 53 72.116 7.083 7.936 1.00 0.00 N ATOM 0 H ASN A 53 72.819 3.514 7.803 1.00 0.00 H new ATOM 0 HA ASN A 53 73.675 5.900 9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.057 4.364 9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.411 5.394 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.846 7.899 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.082 6.757 7.923 1.00 0.00 H new ATOM 780 N GLN A 54 73.806 2.767 10.065 1.00 0.00 N ATOM 781 CA GLN A 54 74.225 1.768 11.042 1.00 0.00 C ATOM 782 C GLN A 54 74.242 0.387 10.397 1.00 0.00 C ATOM 783 O GLN A 54 73.665 0.183 9.329 1.00 0.00 O ATOM 784 CB GLN A 54 73.282 1.732 12.247 1.00 0.00 C ATOM 785 CG GLN A 54 71.823 1.600 11.790 1.00 0.00 C ATOM 786 CD GLN A 54 71.017 0.801 12.810 1.00 0.00 C ATOM 787 OE1 GLN A 54 70.036 1.300 13.362 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.387 -0.416 13.102 1.00 0.00 N ATOM 0 H GLN A 54 73.662 2.401 9.124 1.00 0.00 H new ATOM 0 HA GLN A 54 75.223 2.042 11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 54 73.543 0.895 12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 54 73.403 2.641 12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 54 71.384 2.590 11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 54 71.783 1.107 10.818 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.200 -0.826 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 54 70.863 -0.957 13.790 1.00 0.00 H new ATOM 797 N ARG A 55 74.899 -0.559 11.059 1.00 0.00 N ATOM 798 CA ARG A 55 74.974 -1.930 10.564 1.00 0.00 C ATOM 799 C ARG A 55 74.123 -2.853 11.434 1.00 0.00 C ATOM 800 O ARG A 55 74.036 -2.641 12.644 1.00 0.00 O ATOM 801 CB ARG A 55 76.439 -2.368 10.589 1.00 0.00 C ATOM 802 CG ARG A 55 76.901 -2.607 12.028 1.00 0.00 C ATOM 803 CD ARG A 55 78.428 -2.529 12.131 1.00 0.00 C ATOM 804 NE ARG A 55 78.828 -1.228 12.655 1.00 0.00 N ATOM 805 CZ ARG A 55 78.887 -0.151 11.877 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.019 -0.277 10.585 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.889 1.038 12.417 1.00 0.00 N ATOM 0 H ARG A 55 75.388 -0.402 11.940 1.00 0.00 H new ATOM 0 HA ARG A 55 74.589 -1.984 9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.562 -3.280 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.061 -1.604 10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.450 -1.866 12.687 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.559 -3.585 12.367 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.798 -3.321 12.782 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.875 -2.688 11.150 1.00 0.00 H new ATOM 0 HE ARG A 55 79.068 -1.142 13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.078 -1.205 10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.064 0.553 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.845 1.138 13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.934 1.867 11.825 1.00 0.00 H new ATOM 821 N PRO A 56 73.653 -3.955 10.912 1.00 0.00 N ATOM 822 CA PRO A 56 72.818 -4.897 11.708 1.00 0.00 C ATOM 823 C PRO A 56 73.561 -5.358 12.959 1.00 0.00 C ATOM 824 O PRO A 56 74.772 -5.165 13.071 1.00 0.00 O ATOM 825 CB PRO A 56 72.518 -6.068 10.761 1.00 0.00 C ATOM 826 CG PRO A 56 73.210 -5.780 9.465 1.00 0.00 C ATOM 827 CD PRO A 56 73.659 -4.317 9.485 1.00 0.00 C ATOM 0 HA PRO A 56 71.900 -4.431 12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.873 -7.007 11.186 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.444 -6.173 10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.068 -6.440 9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.539 -5.961 8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.651 -4.199 9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.981 -3.685 8.911 1.00 0.00 H new ATOM 835 N SER A 57 72.807 -5.783 13.967 1.00 0.00 N ATOM 836 CA SER A 57 73.420 -6.290 15.188 1.00 0.00 C ATOM 837 C SER A 57 74.055 -7.654 14.932 1.00 0.00 C ATOM 838 O SER A 57 73.406 -8.558 14.406 1.00 0.00 O ATOM 839 CB SER A 57 72.375 -6.364 16.306 1.00 0.00 C ATOM 840 OG SER A 57 72.907 -5.764 17.479 1.00 0.00 O ATOM 0 H SER A 57 71.787 -5.787 13.964 1.00 0.00 H new ATOM 0 HA SER A 57 74.209 -5.608 15.505 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.462 -5.852 16.002 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.107 -7.402 16.503 1.00 0.00 H new ATOM 0 HG SER A 57 72.243 -5.806 18.198 1.00 0.00 H new ATOM 846 N GLY A 58 75.251 -7.852 15.476 1.00 0.00 N ATOM 847 CA GLY A 58 75.922 -9.146 15.394 1.00 0.00 C ATOM 848 C GLY A 58 77.027 -9.120 14.342 1.00 0.00 C ATOM 849 O GLY A 58 78.080 -9.732 14.523 1.00 0.00 O ATOM 0 H GLY A 58 75.775 -7.135 15.978 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.345 -9.403 16.365 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.197 -9.921 15.147 1.00 0.00 H new ATOM 853 N VAL A 59 76.794 -8.403 13.247 1.00 0.00 N ATOM 854 CA VAL A 59 77.775 -8.348 12.169 1.00 0.00 C ATOM 855 C VAL A 59 78.954 -7.464 12.573 1.00 0.00 C ATOM 856 O VAL A 59 78.783 -6.529 13.355 1.00 0.00 O ATOM 857 CB VAL A 59 77.113 -7.805 10.897 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.247 -8.882 10.220 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.259 -6.583 11.255 1.00 0.00 C ATOM 0 H VAL A 59 75.947 -7.859 13.084 1.00 0.00 H new ATOM 0 HA VAL A 59 78.149 -9.353 11.974 1.00 0.00 H new ATOM 0 HB VAL A 59 77.892 -7.514 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.790 -8.469 9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.871 -9.735 9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.466 -9.206 10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 59 75.786 -6.193 10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.491 -6.873 11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.892 -5.813 11.695 1.00 0.00 H new ATOM 869 N PRO A 60 80.097 -7.632 11.960 1.00 0.00 N ATOM 870 CA PRO A 60 81.313 -6.862 12.346 1.00 0.00 C ATOM 871 C PRO A 60 81.053 -5.359 12.291 1.00 0.00 C ATOM 872 O PRO A 60 80.088 -4.911 11.672 1.00 0.00 O ATOM 873 CB PRO A 60 82.384 -7.293 11.332 1.00 0.00 C ATOM 874 CG PRO A 60 81.755 -8.309 10.430 1.00 0.00 C ATOM 875 CD PRO A 60 80.456 -8.767 11.095 1.00 0.00 C ATOM 0 HA PRO A 60 81.624 -7.063 13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 60 82.738 -6.436 10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.250 -7.715 11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.553 -7.879 9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.426 -9.154 10.276 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.679 -8.973 10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.600 -9.681 11.671 1.00 0.00 H new ATOM 883 N ASP A 61 81.901 -4.583 12.962 1.00 0.00 N ATOM 884 CA ASP A 61 81.754 -3.130 12.988 1.00 0.00 C ATOM 885 C ASP A 61 83.060 -2.439 12.610 1.00 0.00 C ATOM 886 O ASP A 61 83.331 -1.324 13.056 1.00 0.00 O ATOM 887 CB ASP A 61 81.337 -2.670 14.387 1.00 0.00 C ATOM 888 CG ASP A 61 80.227 -3.564 14.928 1.00 0.00 C ATOM 889 OD1 ASP A 61 80.444 -4.762 15.002 1.00 0.00 O ATOM 890 OD2 ASP A 61 79.157 -3.046 15.201 1.00 0.00 O ATOM 0 H ASP A 61 82.696 -4.936 13.494 1.00 0.00 H new ATOM 0 HA ASP A 61 80.987 -2.860 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.196 -2.698 15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 61 80.995 -1.636 14.350 1.00 0.00 H new ATOM 895 N ARG A 62 83.848 -3.089 11.761 1.00 0.00 N ATOM 896 CA ARG A 62 85.115 -2.517 11.320 1.00 0.00 C ATOM 897 C ARG A 62 84.894 -1.453 10.248 1.00 0.00 C ATOM 898 O ARG A 62 85.814 -0.715 9.896 1.00 0.00 O ATOM 899 CB ARG A 62 86.035 -3.626 10.799 1.00 0.00 C ATOM 900 CG ARG A 62 86.198 -4.708 11.876 1.00 0.00 C ATOM 901 CD ARG A 62 87.562 -5.402 11.788 1.00 0.00 C ATOM 902 NE ARG A 62 87.546 -6.456 10.780 1.00 0.00 N ATOM 903 CZ ARG A 62 87.822 -6.201 9.504 1.00 0.00 C ATOM 904 NH1 ARG A 62 86.855 -5.890 8.685 1.00 0.00 N ATOM 905 NH2 ARG A 62 89.042 -6.326 9.057 1.00 0.00 N ATOM 0 H ARG A 62 83.635 -4.005 11.367 1.00 0.00 H new ATOM 0 HA ARG A 62 85.591 -2.034 12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.618 -4.062 9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 62 87.008 -3.211 10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.082 -4.259 12.862 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.406 -5.449 11.769 1.00 0.00 H new ATOM 0 HD2 ARG A 62 88.332 -4.670 11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.822 -5.825 12.758 1.00 0.00 H new ATOM 0 HE ARG A 62 87.318 -7.410 11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 62 85.894 -5.844 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.060 -5.693 7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 62 89.788 -6.620 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.249 -6.129 8.078 1.00 0.00 H new ATOM 919 N PHE A 63 83.681 -1.401 9.700 1.00 0.00 N ATOM 920 CA PHE A 63 83.342 -0.450 8.643 1.00 0.00 C ATOM 921 C PHE A 63 82.232 0.491 9.105 1.00 0.00 C ATOM 922 O PHE A 63 81.427 0.146 9.970 1.00 0.00 O ATOM 923 CB PHE A 63 82.937 -1.186 7.357 1.00 0.00 C ATOM 924 CG PHE A 63 82.937 -2.681 7.574 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.865 -3.283 8.241 1.00 0.00 C ATOM 926 CD2 PHE A 63 84.054 -3.440 7.209 1.00 0.00 C ATOM 927 CE1 PHE A 63 81.854 -4.671 8.426 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.058 -4.824 7.423 1.00 0.00 C ATOM 929 CZ PHE A 63 82.957 -5.439 8.030 1.00 0.00 C ATOM 0 H PHE A 63 82.911 -2.012 9.973 1.00 0.00 H new ATOM 0 HA PHE A 63 84.226 0.148 8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.946 -0.859 7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.627 -0.930 6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.049 -2.680 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.912 -2.959 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.996 -5.149 8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.909 -5.416 7.120 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.958 -6.507 8.193 1.00 0.00 H new ATOM 939 N SER A 64 82.179 1.671 8.493 1.00 0.00 N ATOM 940 CA SER A 64 81.150 2.652 8.832 1.00 0.00 C ATOM 941 C SER A 64 80.679 3.382 7.580 1.00 0.00 C ATOM 942 O SER A 64 81.510 3.885 6.827 1.00 0.00 O ATOM 943 CB SER A 64 81.709 3.669 9.830 1.00 0.00 C ATOM 944 OG SER A 64 80.645 4.449 10.356 1.00 0.00 O ATOM 0 H SER A 64 82.829 1.970 7.766 1.00 0.00 H new ATOM 0 HA SER A 64 80.305 2.127 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.230 3.154 10.637 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.439 4.313 9.339 1.00 0.00 H new ATOM 0 HG SER A 64 81.002 5.099 10.996 1.00 0.00 H new ATOM 950 N GLY A 65 79.366 3.481 7.390 1.00 0.00 N ATOM 951 CA GLY A 65 78.800 4.167 6.230 1.00 0.00 C ATOM 952 C GLY A 65 78.450 5.616 6.559 1.00 0.00 C ATOM 953 O GLY A 65 77.892 5.890 7.621 1.00 0.00 O ATOM 0 H GLY A 65 78.670 3.093 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.513 4.141 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.906 3.642 5.895 1.00 0.00 H new ATOM 957 N SER A 66 78.615 6.512 5.588 1.00 0.00 N ATOM 958 CA SER A 66 78.268 7.917 5.784 1.00 0.00 C ATOM 959 C SER A 66 77.741 8.532 4.490 1.00 0.00 C ATOM 960 O SER A 66 77.970 8.005 3.402 1.00 0.00 O ATOM 961 CB SER A 66 79.505 8.684 6.262 1.00 0.00 C ATOM 962 OG SER A 66 79.537 9.975 5.670 1.00 0.00 O ATOM 0 H SER A 66 78.985 6.292 4.663 1.00 0.00 H new ATOM 0 HA SER A 66 77.482 7.983 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.490 8.774 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.408 8.133 6.000 1.00 0.00 H new ATOM 0 HG SER A 66 80.330 10.458 5.982 1.00 0.00 H new ATOM 968 N ILE A 67 77.061 9.671 4.610 1.00 0.00 N ATOM 969 CA ILE A 67 76.489 10.360 3.455 1.00 0.00 C ATOM 970 C ILE A 67 76.890 11.832 3.438 1.00 0.00 C ATOM 971 O ILE A 67 76.990 12.467 4.487 1.00 0.00 O ATOM 972 CB ILE A 67 74.962 10.248 3.480 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.451 10.776 4.824 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.526 8.793 3.250 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.921 10.728 4.895 1.00 0.00 C ATOM 0 H ILE A 67 76.892 10.138 5.501 1.00 0.00 H new ATOM 0 HA ILE A 67 76.877 9.884 2.554 1.00 0.00 H new ATOM 0 HB ILE A 67 74.533 10.846 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.874 10.183 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.792 11.801 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.438 8.732 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 67 74.890 8.453 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 67 74.940 8.161 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.589 11.109 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.500 11.342 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.583 9.698 4.776 1.00 0.00 H new ATOM 987 N ASP A 68 77.194 12.348 2.250 1.00 0.00 N ATOM 988 CA ASP A 68 77.632 13.732 2.093 1.00 0.00 C ATOM 989 C ASP A 68 76.687 14.496 1.170 1.00 0.00 C ATOM 990 O ASP A 68 76.899 14.555 -0.041 1.00 0.00 O ATOM 991 CB ASP A 68 79.043 13.758 1.499 1.00 0.00 C ATOM 992 CG ASP A 68 79.896 12.637 2.084 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.458 12.012 3.035 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.952 12.380 1.530 1.00 0.00 O ATOM 0 H ASP A 68 77.144 11.824 1.376 1.00 0.00 H new ATOM 0 HA ASP A 68 77.629 14.208 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.989 13.652 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.511 14.721 1.702 1.00 0.00 H new ATOM 999 N SER A 69 75.622 15.057 1.733 1.00 0.00 N ATOM 1000 CA SER A 69 74.657 15.793 0.924 1.00 0.00 C ATOM 1001 C SER A 69 75.324 16.982 0.242 1.00 0.00 C ATOM 1002 O SER A 69 74.995 17.325 -0.894 1.00 0.00 O ATOM 1003 CB SER A 69 73.510 16.286 1.808 1.00 0.00 C ATOM 1004 OG SER A 69 73.868 17.528 2.396 1.00 0.00 O ATOM 0 H SER A 69 75.407 15.018 2.729 1.00 0.00 H new ATOM 0 HA SER A 69 74.266 15.124 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.602 16.400 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 69 73.294 15.552 2.585 1.00 0.00 H new ATOM 0 HG SER A 69 73.133 17.846 2.961 1.00 0.00 H new ATOM 1010 N SER A 70 76.301 17.571 0.922 1.00 0.00 N ATOM 1011 CA SER A 70 77.033 18.700 0.363 1.00 0.00 C ATOM 1012 C SER A 70 77.783 18.285 -0.899 1.00 0.00 C ATOM 1013 O SER A 70 77.668 18.923 -1.946 1.00 0.00 O ATOM 1014 CB SER A 70 78.040 19.198 1.401 1.00 0.00 C ATOM 1015 OG SER A 70 77.446 19.161 2.691 1.00 0.00 O ATOM 0 H SER A 70 76.603 17.288 1.854 1.00 0.00 H new ATOM 0 HA SER A 70 76.325 19.488 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.935 18.576 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 70 78.353 20.214 1.162 1.00 0.00 H new ATOM 0 HG SER A 70 78.091 19.478 3.357 1.00 0.00 H new ATOM 1021 N SER A 71 78.546 17.202 -0.787 1.00 0.00 N ATOM 1022 CA SER A 71 79.334 16.706 -1.909 1.00 0.00 C ATOM 1023 C SER A 71 78.477 15.802 -2.788 1.00 0.00 C ATOM 1024 O SER A 71 78.897 15.379 -3.865 1.00 0.00 O ATOM 1025 CB SER A 71 80.540 15.918 -1.393 1.00 0.00 C ATOM 1026 OG SER A 71 81.444 15.683 -2.463 1.00 0.00 O ATOM 0 H SER A 71 78.635 16.652 0.068 1.00 0.00 H new ATOM 0 HA SER A 71 79.682 17.556 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 71 81.037 16.473 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.213 14.971 -0.964 1.00 0.00 H new ATOM 0 HG SER A 71 80.948 15.645 -3.308 1.00 0.00 H new ATOM 1032 N ASN A 72 77.281 15.493 -2.300 1.00 0.00 N ATOM 1033 CA ASN A 72 76.370 14.632 -3.045 1.00 0.00 C ATOM 1034 C ASN A 72 77.000 13.264 -3.291 1.00 0.00 C ATOM 1035 O ASN A 72 76.728 12.615 -4.301 1.00 0.00 O ATOM 1036 CB ASN A 72 76.028 15.277 -4.390 1.00 0.00 C ATOM 1037 CG ASN A 72 74.829 14.575 -5.020 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.690 15.003 -4.837 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.017 13.515 -5.758 1.00 0.00 N ATOM 0 H ASN A 72 76.923 15.821 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 72 75.462 14.503 -2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.807 16.335 -4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.886 15.218 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.220 13.042 -6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.961 13.160 -5.910 1.00 0.00 H new ATOM 1046 N SER A 73 77.884 12.852 -2.388 1.00 0.00 N ATOM 1047 CA SER A 73 78.573 11.571 -2.516 1.00 0.00 C ATOM 1048 C SER A 73 78.542 10.822 -1.189 1.00 0.00 C ATOM 1049 O SER A 73 78.571 11.432 -0.120 1.00 0.00 O ATOM 1050 CB SER A 73 80.026 11.804 -2.934 1.00 0.00 C ATOM 1051 OG SER A 73 80.794 12.172 -1.797 1.00 0.00 O ATOM 0 H SER A 73 78.141 13.387 -1.558 1.00 0.00 H new ATOM 0 HA SER A 73 78.066 10.975 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.435 10.900 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.077 12.588 -3.689 1.00 0.00 H new ATOM 0 HG SER A 73 81.725 12.319 -2.065 1.00 0.00 H new ATOM 1057 N ALA A 74 78.509 9.495 -1.253 1.00 0.00 N ATOM 1058 CA ALA A 74 78.428 8.689 -0.040 1.00 0.00 C ATOM 1059 C ALA A 74 79.791 8.057 0.213 1.00 0.00 C ATOM 1060 O ALA A 74 80.525 7.762 -0.729 1.00 0.00 O ATOM 1061 CB ALA A 74 77.357 7.604 -0.202 1.00 0.00 C ATOM 0 H ALA A 74 78.537 8.960 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 74 78.151 9.316 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.303 7.007 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.390 8.072 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.615 6.961 -1.043 1.00 0.00 H new ATOM 1067 N SER A 75 80.180 7.964 1.480 1.00 0.00 N ATOM 1068 CA SER A 75 81.511 7.466 1.810 1.00 0.00 C ATOM 1069 C SER A 75 81.466 6.597 3.060 1.00 0.00 C ATOM 1070 O SER A 75 80.729 6.892 4.002 1.00 0.00 O ATOM 1071 CB SER A 75 82.475 8.638 2.021 1.00 0.00 C ATOM 1072 OG SER A 75 82.000 9.775 1.315 1.00 0.00 O ATOM 0 H SER A 75 79.605 8.221 2.282 1.00 0.00 H new ATOM 0 HA SER A 75 81.866 6.858 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.560 8.866 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.472 8.370 1.672 1.00 0.00 H new ATOM 0 HG SER A 75 81.732 10.468 1.954 1.00 0.00 H new ATOM 1078 N LEU A 76 82.242 5.516 3.048 1.00 0.00 N ATOM 1079 CA LEU A 76 82.359 4.647 4.216 1.00 0.00 C ATOM 1080 C LEU A 76 83.717 4.818 4.888 1.00 0.00 C ATOM 1081 O LEU A 76 84.753 4.793 4.226 1.00 0.00 O ATOM 1082 CB LEU A 76 82.084 3.196 3.801 1.00 0.00 C ATOM 1083 CG LEU A 76 82.923 2.171 4.577 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.269 0.788 4.459 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.374 2.139 4.074 1.00 0.00 C ATOM 0 H LEU A 76 82.798 5.221 2.245 1.00 0.00 H new ATOM 0 HA LEU A 76 81.613 4.929 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.027 2.977 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.284 3.086 2.735 1.00 0.00 H new ATOM 0 HG LEU A 76 82.955 2.464 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.862 0.057 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.262 0.825 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.218 0.498 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.941 1.403 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.387 1.868 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.825 3.123 4.202 1.00 0.00 H new ATOM 1097 N THR A 77 83.706 4.939 6.213 1.00 0.00 N ATOM 1098 CA THR A 77 84.938 5.076 6.983 1.00 0.00 C ATOM 1099 C THR A 77 85.262 3.775 7.713 1.00 0.00 C ATOM 1100 O THR A 77 84.502 3.329 8.573 1.00 0.00 O ATOM 1101 CB THR A 77 84.761 6.198 8.008 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.169 7.324 7.376 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.118 6.602 8.589 1.00 0.00 C ATOM 0 H THR A 77 82.856 4.945 6.776 1.00 0.00 H new ATOM 0 HA THR A 77 85.757 5.309 6.303 1.00 0.00 H new ATOM 0 HB THR A 77 84.119 5.843 8.814 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.053 8.043 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 77 85.979 7.401 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.575 5.742 9.078 1.00 0.00 H new ATOM 0 HG23 THR A 77 86.768 6.951 7.787 1.00 0.00 H new ATOM 1111 N ILE A 78 86.408 3.181 7.391 1.00 0.00 N ATOM 1112 CA ILE A 78 86.849 1.947 8.036 1.00 0.00 C ATOM 1113 C ILE A 78 87.983 2.262 9.007 1.00 0.00 C ATOM 1114 O ILE A 78 88.944 2.936 8.639 1.00 0.00 O ATOM 1115 CB ILE A 78 87.305 0.972 6.944 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.148 0.089 6.471 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.459 0.077 7.406 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.520 -0.575 5.143 1.00 0.00 C ATOM 0 H ILE A 78 87.051 3.536 6.684 1.00 0.00 H new ATOM 0 HA ILE A 78 86.038 1.491 8.604 1.00 0.00 H new ATOM 0 HB ILE A 78 87.657 1.589 6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.927 -0.671 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.246 0.688 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.745 -0.595 6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.312 0.697 7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 78 88.142 -0.509 8.269 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.695 -1.204 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.719 0.193 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.411 -1.188 5.280 1.00 0.00 H new ATOM 1130 N SER A 79 87.989 1.572 10.143 1.00 0.00 N ATOM 1131 CA SER A 79 89.025 1.765 11.153 1.00 0.00 C ATOM 1132 C SER A 79 89.772 0.457 11.397 1.00 0.00 C ATOM 1133 O SER A 79 89.164 -0.610 11.492 1.00 0.00 O ATOM 1134 CB SER A 79 88.391 2.265 12.454 1.00 0.00 C ATOM 1135 OG SER A 79 88.258 1.190 13.372 1.00 0.00 O ATOM 0 H SER A 79 87.287 0.873 10.388 1.00 0.00 H new ATOM 0 HA SER A 79 89.737 2.509 10.796 1.00 0.00 H new ATOM 0 HB2 SER A 79 89.006 3.052 12.889 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.414 2.702 12.248 1.00 0.00 H new ATOM 0 HG SER A 79 87.853 1.517 14.202 1.00 0.00 H new ATOM 1141 N GLY A 80 91.096 0.545 11.484 1.00 0.00 N ATOM 1142 CA GLY A 80 91.921 -0.618 11.789 1.00 0.00 C ATOM 1143 C GLY A 80 91.498 -1.836 10.974 1.00 0.00 C ATOM 1144 O GLY A 80 90.800 -2.714 11.481 1.00 0.00 O ATOM 0 H GLY A 80 91.620 1.410 11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.966 -0.387 11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.848 -0.848 12.852 1.00 0.00 H new ATOM 1148 N LEU A 81 91.785 -1.808 9.676 1.00 0.00 N ATOM 1149 CA LEU A 81 91.465 -2.932 8.803 1.00 0.00 C ATOM 1150 C LEU A 81 92.468 -4.071 8.962 1.00 0.00 C ATOM 1151 O LEU A 81 93.603 -3.855 9.384 1.00 0.00 O ATOM 1152 CB LEU A 81 91.385 -2.493 7.339 1.00 0.00 C ATOM 1153 CG LEU A 81 92.751 -2.057 6.793 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.726 -2.009 5.258 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.167 -0.704 7.388 1.00 0.00 C ATOM 0 H LEU A 81 92.237 -1.023 9.207 1.00 0.00 H new ATOM 0 HA LEU A 81 90.485 -3.302 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 81 90.999 -3.314 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.678 -1.669 7.246 1.00 0.00 H new ATOM 0 HG LEU A 81 93.496 -2.794 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 81 93.703 -1.698 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 81 92.488 -2.998 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.969 -1.297 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.138 -0.414 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.426 0.052 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.232 -0.788 8.473 1.00 0.00 H new ATOM 1167 N LYS A 82 92.100 -5.242 8.451 1.00 0.00 N ATOM 1168 CA LYS A 82 93.007 -6.385 8.406 1.00 0.00 C ATOM 1169 C LYS A 82 92.857 -7.133 7.087 1.00 0.00 C ATOM 1170 O LYS A 82 92.196 -6.656 6.167 1.00 0.00 O ATOM 1171 CB LYS A 82 92.687 -7.324 9.570 1.00 0.00 C ATOM 1172 CG LYS A 82 92.801 -6.555 10.889 1.00 0.00 C ATOM 1173 CD LYS A 82 92.878 -7.530 12.069 1.00 0.00 C ATOM 1174 CE LYS A 82 94.334 -7.907 12.356 1.00 0.00 C ATOM 1175 NZ LYS A 82 94.374 -8.966 13.404 1.00 0.00 N ATOM 0 H LYS A 82 91.176 -5.425 8.060 1.00 0.00 H new ATOM 0 HA LYS A 82 94.034 -6.029 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.682 -7.730 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.374 -8.170 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.688 -5.922 10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.941 -5.896 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.432 -7.076 12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 82 92.301 -8.427 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.815 -8.263 11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.890 -7.030 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 95.362 -9.223 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.930 -8.610 14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.858 -9.805 13.070 1.00 0.00 H new ATOM 1189 N THR A 83 93.536 -8.268 6.956 1.00 0.00 N ATOM 1190 CA THR A 83 93.442 -9.028 5.720 1.00 0.00 C ATOM 1191 C THR A 83 92.006 -9.480 5.483 1.00 0.00 C ATOM 1192 O THR A 83 91.617 -9.773 4.353 1.00 0.00 O ATOM 1193 CB THR A 83 94.364 -10.246 5.801 1.00 0.00 C ATOM 1194 OG1 THR A 83 95.591 -9.866 6.408 1.00 0.00 O ATOM 1195 CG2 THR A 83 94.651 -10.819 4.410 1.00 0.00 C ATOM 0 H THR A 83 94.141 -8.672 7.671 1.00 0.00 H new ATOM 0 HA THR A 83 93.748 -8.394 4.888 1.00 0.00 H new ATOM 0 HB THR A 83 93.866 -11.012 6.395 1.00 0.00 H new ATOM 0 HG1 THR A 83 96.184 -10.645 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 83 95.309 -11.683 4.501 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.715 -11.123 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.134 -10.059 3.796 1.00 0.00 H new ATOM 1203 N GLU A 84 91.304 -9.745 6.580 1.00 0.00 N ATOM 1204 CA GLU A 84 89.931 -10.225 6.495 1.00 0.00 C ATOM 1205 C GLU A 84 89.091 -9.262 5.662 1.00 0.00 C ATOM 1206 O GLU A 84 87.950 -9.565 5.312 1.00 0.00 O ATOM 1207 CB GLU A 84 89.325 -10.347 7.895 1.00 0.00 C ATOM 1208 CG GLU A 84 90.108 -11.382 8.704 1.00 0.00 C ATOM 1209 CD GLU A 84 89.901 -12.772 8.112 1.00 0.00 C ATOM 1210 OE1 GLU A 84 88.991 -12.926 7.313 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.594 -13.683 8.536 1.00 0.00 O ATOM 0 H GLU A 84 91.660 -9.637 7.530 1.00 0.00 H new ATOM 0 HA GLU A 84 89.936 -11.206 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.351 -9.381 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.278 -10.642 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 84 91.169 -11.131 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 84 89.779 -11.368 9.743 1.00 0.00 H new ATOM 1218 N ASP A 85 89.660 -8.101 5.351 1.00 0.00 N ATOM 1219 CA ASP A 85 88.988 -7.124 4.499 1.00 0.00 C ATOM 1220 C ASP A 85 89.446 -7.283 3.051 1.00 0.00 C ATOM 1221 O ASP A 85 88.863 -6.687 2.145 1.00 0.00 O ATOM 1222 CB ASP A 85 89.285 -5.705 5.000 1.00 0.00 C ATOM 1223 CG ASP A 85 88.193 -5.220 5.948 1.00 0.00 C ATOM 1224 OD1 ASP A 85 87.105 -4.945 5.467 1.00 0.00 O ATOM 1225 OD2 ASP A 85 88.492 -5.022 7.114 1.00 0.00 O ATOM 0 H ASP A 85 90.583 -7.814 5.675 1.00 0.00 H new ATOM 0 HA ASP A 85 87.912 -7.295 4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.248 -5.690 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 85 89.363 -5.025 4.152 1.00 0.00 H new ATOM 1230 N GLU A 86 90.471 -8.101 2.833 1.00 0.00 N ATOM 1231 CA GLU A 86 90.964 -8.324 1.478 1.00 0.00 C ATOM 1232 C GLU A 86 89.859 -8.881 0.585 1.00 0.00 C ATOM 1233 O GLU A 86 89.562 -10.074 0.634 1.00 0.00 O ATOM 1234 CB GLU A 86 92.133 -9.310 1.515 1.00 0.00 C ATOM 1235 CG GLU A 86 92.750 -9.440 0.121 1.00 0.00 C ATOM 1236 CD GLU A 86 93.929 -10.406 0.156 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.423 -10.666 1.241 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.379 -10.793 -0.909 1.00 0.00 O ATOM 0 H GLU A 86 90.969 -8.612 3.562 1.00 0.00 H new ATOM 0 HA GLU A 86 91.296 -7.370 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.886 -8.968 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.788 -10.284 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.000 -9.796 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.081 -8.463 -0.231 1.00 0.00 H new ATOM 1245 N ALA A 87 89.266 -8.020 -0.236 1.00 0.00 N ATOM 1246 CA ALA A 87 88.199 -8.447 -1.135 1.00 0.00 C ATOM 1247 C ALA A 87 87.637 -7.258 -1.910 1.00 0.00 C ATOM 1248 O ALA A 87 88.266 -6.202 -1.988 1.00 0.00 O ATOM 1249 CB ALA A 87 87.087 -9.120 -0.325 1.00 0.00 C ATOM 0 H ALA A 87 89.504 -7.030 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 87 88.608 -9.159 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.290 -9.439 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.491 -9.988 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.688 -8.413 0.402 1.00 0.00 H new ATOM 1255 N ASP A 88 86.512 -7.476 -2.587 1.00 0.00 N ATOM 1256 CA ASP A 88 85.876 -6.427 -3.377 1.00 0.00 C ATOM 1257 C ASP A 88 84.782 -5.720 -2.584 1.00 0.00 C ATOM 1258 O ASP A 88 84.150 -6.313 -1.711 1.00 0.00 O ATOM 1259 CB ASP A 88 85.275 -7.026 -4.650 1.00 0.00 C ATOM 1260 CG ASP A 88 86.304 -7.906 -5.352 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.444 -7.486 -5.453 1.00 0.00 O ATOM 1262 OD2 ASP A 88 85.933 -8.977 -5.804 1.00 0.00 O ATOM 0 H ASP A 88 86.022 -8.371 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 88 86.640 -5.694 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.391 -7.614 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.951 -6.228 -5.318 1.00 0.00 H new ATOM 1267 N TYR A 89 84.506 -4.474 -2.960 1.00 0.00 N ATOM 1268 CA TYR A 89 83.476 -3.669 -2.311 1.00 0.00 C ATOM 1269 C TYR A 89 82.463 -3.188 -3.347 1.00 0.00 C ATOM 1270 O TYR A 89 82.825 -2.790 -4.454 1.00 0.00 O ATOM 1271 CB TYR A 89 84.127 -2.472 -1.604 1.00 0.00 C ATOM 1272 CG TYR A 89 84.343 -2.771 -0.139 1.00 0.00 C ATOM 1273 CD1 TYR A 89 83.267 -2.681 0.752 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.607 -3.156 0.323 1.00 0.00 C ATOM 1275 CE1 TYR A 89 83.449 -2.993 2.104 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.797 -3.438 1.681 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.716 -3.370 2.567 1.00 0.00 C ATOM 1278 OH TYR A 89 84.900 -3.672 3.901 1.00 0.00 O ATOM 0 H TYR A 89 84.988 -3.996 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 89 82.955 -4.276 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.081 -2.238 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.494 -1.591 -1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.296 -2.371 0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.434 -3.235 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 89 82.615 -2.943 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.777 -3.708 2.045 1.00 0.00 H new ATOM 0 HH TYR A 89 85.775 -4.097 4.023 1.00 0.00 H new ATOM 1288 N TYR A 90 81.197 -3.148 -2.940 1.00 0.00 N ATOM 1289 CA TYR A 90 80.123 -2.639 -3.788 1.00 0.00 C ATOM 1290 C TYR A 90 79.203 -1.725 -2.978 1.00 0.00 C ATOM 1291 O TYR A 90 78.842 -2.067 -1.852 1.00 0.00 O ATOM 1292 CB TYR A 90 79.358 -3.826 -4.382 1.00 0.00 C ATOM 1293 CG TYR A 90 80.154 -4.451 -5.506 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.027 -3.947 -6.807 1.00 0.00 C ATOM 1295 CD2 TYR A 90 81.002 -5.540 -5.263 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.713 -4.555 -7.865 1.00 0.00 C ATOM 1297 CE2 TYR A 90 81.733 -6.110 -6.313 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.614 -5.596 -7.610 1.00 0.00 C ATOM 1299 OH TYR A 90 82.306 -6.177 -8.653 1.00 0.00 O ATOM 0 H TYR A 90 80.888 -3.465 -2.021 1.00 0.00 H new ATOM 0 HA TYR A 90 80.536 -2.046 -4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.165 -4.568 -3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.389 -3.494 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 90 79.399 -3.088 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 90 81.092 -5.941 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 90 80.547 -4.221 -8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 90 82.389 -6.947 -6.122 1.00 0.00 H new ATOM 0 HH TYR A 90 82.890 -6.883 -8.305 1.00 0.00 H new ATOM 1309 N CYS A 91 78.656 -0.691 -3.621 1.00 0.00 N ATOM 1310 CA CYS A 91 77.746 0.254 -2.966 1.00 0.00 C ATOM 1311 C CYS A 91 76.396 0.137 -3.680 1.00 0.00 C ATOM 1312 O CYS A 91 76.349 -0.171 -4.871 1.00 0.00 O ATOM 1313 CB CYS A 91 78.210 1.731 -2.991 1.00 0.00 C ATOM 1314 SG CYS A 91 79.994 2.025 -3.186 1.00 0.00 S ATOM 0 H CYS A 91 78.829 -0.485 -4.605 1.00 0.00 H new ATOM 0 HA CYS A 91 77.702 -0.011 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 91 77.691 2.237 -3.805 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.887 2.205 -2.064 1.00 0.00 H new ATOM 1319 N GLN A 92 75.293 0.280 -2.946 1.00 0.00 N ATOM 1320 CA GLN A 92 73.958 0.259 -3.544 1.00 0.00 C ATOM 1321 C GLN A 92 73.187 1.526 -3.191 1.00 0.00 C ATOM 1322 O GLN A 92 73.084 1.892 -2.020 1.00 0.00 O ATOM 1323 CB GLN A 92 73.152 -0.944 -3.046 1.00 0.00 C ATOM 1324 CG GLN A 92 73.795 -2.252 -3.510 1.00 0.00 C ATOM 1325 CD GLN A 92 72.914 -3.438 -3.126 1.00 0.00 C ATOM 1326 OE1 GLN A 92 71.837 -3.257 -2.557 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.292 -4.647 -3.439 1.00 0.00 N ATOM 0 H GLN A 92 75.297 0.412 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 92 74.092 0.192 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.096 -0.926 -1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.129 -0.883 -3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.939 -2.232 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.781 -2.361 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.184 -4.796 -3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.695 -5.443 -3.212 1.00 0.00 H new ATOM 1336 N SER A 93 72.546 2.123 -4.192 1.00 0.00 N ATOM 1337 CA SER A 93 71.753 3.331 -3.990 1.00 0.00 C ATOM 1338 C SER A 93 70.292 3.076 -4.345 1.00 0.00 C ATOM 1339 O SER A 93 69.985 2.212 -5.166 1.00 0.00 O ATOM 1340 CB SER A 93 72.292 4.461 -4.870 1.00 0.00 C ATOM 1341 OG SER A 93 71.723 4.353 -6.167 1.00 0.00 O ATOM 0 H SER A 93 72.561 1.788 -5.155 1.00 0.00 H new ATOM 0 HA SER A 93 71.822 3.616 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.047 5.428 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.379 4.404 -4.930 1.00 0.00 H new ATOM 0 HG SER A 93 71.780 5.219 -6.622 1.00 0.00 H new ATOM 1347 N TYR A 94 69.412 3.933 -3.836 1.00 0.00 N ATOM 1348 CA TYR A 94 67.988 3.851 -4.144 1.00 0.00 C ATOM 1349 C TYR A 94 67.496 5.185 -4.695 1.00 0.00 C ATOM 1350 O TYR A 94 67.908 6.251 -4.239 1.00 0.00 O ATOM 1351 CB TYR A 94 67.216 3.497 -2.868 1.00 0.00 C ATOM 1352 CG TYR A 94 67.250 2.004 -2.639 1.00 0.00 C ATOM 1353 CD1 TYR A 94 66.330 1.181 -3.299 1.00 0.00 C ATOM 1354 CD2 TYR A 94 68.216 1.438 -1.798 1.00 0.00 C ATOM 1355 CE1 TYR A 94 66.354 -0.203 -3.095 1.00 0.00 C ATOM 1356 CE2 TYR A 94 68.258 0.050 -1.614 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.315 -0.768 -2.247 1.00 0.00 C ATOM 1358 OH TYR A 94 67.364 -2.136 -2.074 1.00 0.00 O ATOM 0 H TYR A 94 69.661 4.695 -3.206 1.00 0.00 H new ATOM 0 HA TYR A 94 67.823 3.079 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.653 4.014 -2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.184 3.837 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.600 1.615 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 94 68.929 2.072 -1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.632 -0.835 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 94 69.018 -0.389 -0.984 1.00 0.00 H new ATOM 0 HH TYR A 94 68.089 -2.362 -1.455 1.00 0.00 H new ATOM 1368 N ASP A 95 66.689 5.122 -5.750 1.00 0.00 N ATOM 1369 CA ASP A 95 66.147 6.325 -6.371 1.00 0.00 C ATOM 1370 C ASP A 95 64.668 6.469 -6.029 1.00 0.00 C ATOM 1371 O ASP A 95 64.006 5.493 -5.679 1.00 0.00 O ATOM 1372 CB ASP A 95 66.318 6.240 -7.888 1.00 0.00 C ATOM 1373 CG ASP A 95 67.786 6.007 -8.230 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.541 5.680 -7.329 1.00 0.00 O ATOM 1375 OD2 ASP A 95 68.144 6.208 -9.380 1.00 0.00 O ATOM 0 H ASP A 95 66.396 4.251 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 95 66.685 7.194 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.709 5.429 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.968 7.161 -8.355 1.00 0.00 H new ATOM 1380 N SER A 96 64.159 7.692 -6.128 1.00 0.00 N ATOM 1381 CA SER A 96 62.761 7.956 -5.804 1.00 0.00 C ATOM 1382 C SER A 96 61.854 6.899 -6.426 1.00 0.00 C ATOM 1383 O SER A 96 60.734 6.682 -5.964 1.00 0.00 O ATOM 1384 CB SER A 96 62.362 9.340 -6.323 1.00 0.00 C ATOM 1385 OG SER A 96 63.048 10.337 -5.580 1.00 0.00 O ATOM 0 H SER A 96 64.688 8.511 -6.428 1.00 0.00 H new ATOM 0 HA SER A 96 62.646 7.922 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.605 9.428 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 96 61.285 9.479 -6.231 1.00 0.00 H new ATOM 0 HG SER A 96 62.795 11.224 -5.912 1.00 0.00 H new ATOM 1391 N SER A 97 62.376 6.186 -7.419 1.00 0.00 N ATOM 1392 CA SER A 97 61.605 5.142 -8.086 1.00 0.00 C ATOM 1393 C SER A 97 61.553 3.881 -7.229 1.00 0.00 C ATOM 1394 O SER A 97 60.982 2.866 -7.629 1.00 0.00 O ATOM 1395 CB SER A 97 62.235 4.816 -9.442 1.00 0.00 C ATOM 1396 OG SER A 97 63.524 4.254 -9.242 1.00 0.00 O ATOM 0 H SER A 97 63.323 6.310 -7.778 1.00 0.00 H new ATOM 0 HA SER A 97 60.588 5.506 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 97 61.603 4.117 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 97 62.310 5.720 -10.047 1.00 0.00 H new ATOM 0 HG SER A 97 63.927 4.043 -10.110 1.00 0.00 H new ATOM 1402 N ASN A 98 62.170 3.950 -6.054 1.00 0.00 N ATOM 1403 CA ASN A 98 62.203 2.809 -5.147 1.00 0.00 C ATOM 1404 C ASN A 98 62.859 1.607 -5.822 1.00 0.00 C ATOM 1405 O ASN A 98 62.470 0.463 -5.584 1.00 0.00 O ATOM 1406 CB ASN A 98 60.774 2.467 -4.704 1.00 0.00 C ATOM 1407 CG ASN A 98 60.720 2.103 -3.222 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.262 2.903 -2.406 1.00 0.00 O ATOM 1409 ND2 ASN A 98 61.201 0.960 -2.816 1.00 0.00 N ATOM 0 H ASN A 98 62.652 4.780 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 98 62.796 3.066 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.119 3.317 -4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.397 1.635 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 98 61.198 0.729 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 98 61.580 0.297 -3.492 1.00 0.00 H new ATOM 1416 N HIS A 99 63.863 1.868 -6.654 1.00 0.00 N ATOM 1417 CA HIS A 99 64.584 0.805 -7.348 1.00 0.00 C ATOM 1418 C HIS A 99 66.025 0.722 -6.853 1.00 0.00 C ATOM 1419 O HIS A 99 66.698 1.741 -6.695 1.00 0.00 O ATOM 1420 CB HIS A 99 64.585 1.082 -8.852 1.00 0.00 C ATOM 1421 CG HIS A 99 65.271 -0.049 -9.569 1.00 0.00 C ATOM 1422 ND1 HIS A 99 64.575 -1.133 -10.078 1.00 0.00 N ATOM 1423 CD2 HIS A 99 66.596 -0.298 -9.836 1.00 0.00 C ATOM 1424 CE1 HIS A 99 65.467 -1.961 -10.648 1.00 0.00 C ATOM 1425 NE2 HIS A 99 66.715 -1.503 -10.527 1.00 0.00 N ATOM 0 H HIS A 99 64.197 2.809 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 99 64.084 -0.142 -7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.562 1.189 -9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.097 2.022 -9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 99 67.419 0.342 -9.554 1.00 0.00 H new ATOM 0 HE1 HIS A 99 65.206 -2.884 -11.144 1.00 0.00 H new ATOM 0 HE2 HIS A 99 67.571 -1.941 -10.867 1.00 0.00 H new ATOM 1433 N VAL A 100 66.481 -0.496 -6.586 1.00 0.00 N ATOM 1434 CA VAL A 100 67.843 -0.711 -6.110 1.00 0.00 C ATOM 1435 C VAL A 100 68.846 -0.590 -7.252 1.00 0.00 C ATOM 1436 O VAL A 100 68.703 -1.238 -8.288 1.00 0.00 O ATOM 1437 CB VAL A 100 67.962 -2.095 -5.468 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.799 -3.178 -6.540 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.324 -2.242 -4.782 1.00 0.00 C ATOM 0 H VAL A 100 65.930 -1.348 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 100 68.067 0.056 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 100 67.177 -2.208 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.884 -4.162 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.820 -3.081 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.577 -3.062 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.398 -3.230 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.118 -2.121 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.427 -1.480 -4.010 1.00 0.00 H new ATOM 1449 N VAL A 101 69.884 0.214 -7.040 1.00 0.00 N ATOM 1450 CA VAL A 101 70.928 0.410 -8.041 1.00 0.00 C ATOM 1451 C VAL A 101 72.272 -0.035 -7.475 1.00 0.00 C ATOM 1452 O VAL A 101 72.431 -0.129 -6.259 1.00 0.00 O ATOM 1453 CB VAL A 101 70.996 1.891 -8.419 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.180 2.125 -9.359 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.694 2.295 -9.112 1.00 0.00 C ATOM 0 H VAL A 101 70.025 0.743 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 101 70.698 -0.182 -8.927 1.00 0.00 H new ATOM 0 HB VAL A 101 71.129 2.494 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.228 3.180 -9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.104 1.836 -8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.053 1.526 -10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.738 3.350 -9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.559 1.694 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.855 2.129 -8.436 1.00 0.00 H new ATOM 1465 N PHE A 102 73.219 -0.349 -8.355 1.00 0.00 N ATOM 1466 CA PHE A 102 74.527 -0.848 -7.939 1.00 0.00 C ATOM 1467 C PHE A 102 75.619 0.126 -8.370 1.00 0.00 C ATOM 1468 O PHE A 102 75.515 0.776 -9.410 1.00 0.00 O ATOM 1469 CB PHE A 102 74.787 -2.229 -8.552 1.00 0.00 C ATOM 1470 CG PHE A 102 73.482 -2.977 -8.690 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.924 -3.633 -7.586 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.830 -3.015 -9.928 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.703 -4.305 -7.718 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.622 -3.708 -10.065 1.00 0.00 C ATOM 1475 CZ PHE A 102 71.064 -4.365 -8.962 1.00 0.00 C ATOM 0 H PHE A 102 73.104 -0.266 -9.365 1.00 0.00 H new ATOM 0 HA PHE A 102 74.538 -0.937 -6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.261 -2.121 -9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.476 -2.793 -7.923 1.00 0.00 H new ATOM 0 HD1 PHE A 102 73.435 -3.621 -6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 102 73.260 -2.508 -10.779 1.00 0.00 H new ATOM 0 HE1 PHE A 102 71.253 -4.778 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 102 71.121 -3.736 -11.021 1.00 0.00 H new ATOM 0 HZ PHE A 102 70.142 -4.917 -9.071 1.00 0.00 H new ATOM 1485 N GLY A 103 76.679 0.197 -7.573 1.00 0.00 N ATOM 1486 CA GLY A 103 77.802 1.076 -7.869 1.00 0.00 C ATOM 1487 C GLY A 103 78.827 0.390 -8.764 1.00 0.00 C ATOM 1488 O GLY A 103 78.724 -0.805 -9.044 1.00 0.00 O ATOM 0 H GLY A 103 76.783 -0.345 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.439 1.980 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.279 1.385 -6.939 1.00 0.00 H new ATOM 1492 N GLY A 104 79.838 1.150 -9.173 1.00 0.00 N ATOM 1493 CA GLY A 104 80.900 0.609 -10.013 1.00 0.00 C ATOM 1494 C GLY A 104 81.657 -0.498 -9.287 1.00 0.00 C ATOM 1495 O GLY A 104 82.094 -1.471 -9.901 1.00 0.00 O ATOM 0 H GLY A 104 79.944 2.137 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.475 0.218 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.590 1.405 -10.291 1.00 0.00 H new ATOM 1499 N GLY A 105 81.794 -0.353 -7.972 1.00 0.00 N ATOM 1500 CA GLY A 105 82.511 -1.334 -7.163 1.00 0.00 C ATOM 1501 C GLY A 105 83.969 -0.932 -6.969 1.00 0.00 C ATOM 1502 O GLY A 105 84.400 0.120 -7.441 1.00 0.00 O ATOM 0 H GLY A 105 81.418 0.434 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.026 -1.432 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.462 -2.311 -7.644 1.00 0.00 H new ATOM 1506 N THR A 106 84.678 -1.699 -6.147 1.00 0.00 N ATOM 1507 CA THR A 106 86.076 -1.404 -5.852 1.00 0.00 C ATOM 1508 C THR A 106 86.789 -2.655 -5.349 1.00 0.00 C ATOM 1509 O THR A 106 86.320 -3.316 -4.422 1.00 0.00 O ATOM 1510 CB THR A 106 86.154 -0.296 -4.797 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.594 0.895 -5.333 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.607 -0.022 -4.393 1.00 0.00 C ATOM 0 H THR A 106 84.310 -2.525 -5.675 1.00 0.00 H new ATOM 0 HA THR A 106 86.568 -1.069 -6.765 1.00 0.00 H new ATOM 0 HB THR A 106 85.601 -0.619 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.580 0.838 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.633 0.769 -3.643 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.047 -0.929 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.176 0.290 -5.269 1.00 0.00 H new ATOM 1520 N LYS A 107 87.957 -2.941 -5.919 1.00 0.00 N ATOM 1521 CA LYS A 107 88.742 -4.098 -5.500 1.00 0.00 C ATOM 1522 C LYS A 107 89.711 -3.702 -4.391 1.00 0.00 C ATOM 1523 O LYS A 107 90.836 -3.283 -4.663 1.00 0.00 O ATOM 1524 CB LYS A 107 89.537 -4.654 -6.683 1.00 0.00 C ATOM 1525 CG LYS A 107 90.286 -5.919 -6.253 1.00 0.00 C ATOM 1526 CD LYS A 107 91.029 -6.509 -7.455 1.00 0.00 C ATOM 1527 CE LYS A 107 91.752 -7.805 -7.069 1.00 0.00 C ATOM 1528 NZ LYS A 107 90.941 -8.971 -7.517 1.00 0.00 N ATOM 0 H LYS A 107 88.378 -2.391 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 107 88.058 -4.862 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.865 -4.881 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.244 -3.906 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 107 90.992 -5.683 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.585 -6.650 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.324 -6.708 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.750 -5.784 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.740 -7.835 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.902 -7.844 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 91.428 -9.853 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 90.008 -8.942 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 90.820 -8.934 -8.549 1.00 0.00 H new ATOM 1542 N LEU A 108 89.301 -3.910 -3.143 1.00 0.00 N ATOM 1543 CA LEU A 108 90.183 -3.643 -2.014 1.00 0.00 C ATOM 1544 C LEU A 108 91.139 -4.812 -1.806 1.00 0.00 C ATOM 1545 O LEU A 108 90.700 -5.936 -1.565 1.00 0.00 O ATOM 1546 CB LEU A 108 89.350 -3.417 -0.750 1.00 0.00 C ATOM 1547 CG LEU A 108 90.241 -2.963 0.412 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.630 -1.493 0.239 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.487 -3.123 1.734 1.00 0.00 C ATOM 0 H LEU A 108 88.376 -4.258 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 108 90.767 -2.747 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.584 -2.666 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.833 -4.338 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 108 91.141 -3.578 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.263 -1.184 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.175 -1.368 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.730 -0.878 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.124 -2.799 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.583 -2.514 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.217 -4.170 1.874 1.00 0.00 H new ATOM 1561 N THR A 109 92.429 -4.503 -1.703 1.00 0.00 N ATOM 1562 CA THR A 109 93.436 -5.525 -1.430 1.00 0.00 C ATOM 1563 C THR A 109 94.280 -5.141 -0.219 1.00 0.00 C ATOM 1564 O THR A 109 94.681 -3.987 -0.069 1.00 0.00 O ATOM 1565 CB THR A 109 94.333 -5.708 -2.657 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.586 -6.331 -3.692 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.553 -6.575 -2.326 1.00 0.00 C ATOM 0 H THR A 109 92.800 -3.558 -1.804 1.00 0.00 H new ATOM 0 HA THR A 109 92.928 -6.464 -1.211 1.00 0.00 H new ATOM 0 HB THR A 109 94.683 -4.727 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.155 -6.449 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.172 -6.688 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.135 -6.098 -1.538 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.221 -7.557 -1.988 1.00 0.00 H new ATOM 1575 N VAL A 110 94.554 -6.114 0.646 1.00 0.00 N ATOM 1576 CA VAL A 110 95.350 -5.867 1.846 1.00 0.00 C ATOM 1577 C VAL A 110 96.746 -6.464 1.707 1.00 0.00 C ATOM 1578 O VAL A 110 96.926 -7.502 1.070 1.00 0.00 O ATOM 1579 CB VAL A 110 94.656 -6.468 3.071 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.480 -6.168 4.327 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.262 -5.852 3.210 1.00 0.00 C ATOM 0 H VAL A 110 94.238 -7.078 0.540 1.00 0.00 H new ATOM 0 HA VAL A 110 95.443 -4.788 1.973 1.00 0.00 H new ATOM 0 HB VAL A 110 94.568 -7.548 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.985 -6.597 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.473 -6.604 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.569 -5.089 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.762 -6.276 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.352 -4.773 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.678 -6.068 2.315 1.00 0.00 H new ATOM 1591 N LEU A 111 97.737 -5.772 2.262 1.00 0.00 N ATOM 1592 CA LEU A 111 99.124 -6.214 2.166 1.00 0.00 C ATOM 1593 C LEU A 111 99.918 -5.733 3.378 1.00 0.00 C ATOM 1594 O LEU A 111 100.960 -6.307 3.646 1.00 0.00 O ATOM 1595 CB LEU A 111 99.763 -5.714 0.863 1.00 0.00 C ATOM 1596 CG LEU A 111 99.028 -4.484 0.320 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.143 -3.315 1.301 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.661 -4.081 -1.013 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.452 -4.827 4.049 1.00 0.00 O ATOM 0 H LEU A 111 97.605 -4.904 2.782 1.00 0.00 H new ATOM 0 HA LEU A 111 99.141 -7.304 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.810 -5.466 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 111 99.745 -6.509 0.118 1.00 0.00 H new ATOM 0 HG LEU A 111 97.974 -4.728 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.615 -2.450 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.702 -3.597 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.194 -3.064 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.147 -3.206 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.714 -3.844 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.574 -4.905 -1.721 1.00 0.00 H new TER 1611 LEU A 111