USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 760 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 107 LYS NZ :NH3+ -117:sc= 0.855 (180deg=0) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0.756 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 TYR OH : rot -112:sc= 0.422 USER MOD Set 3.2: A 47 THR OG1 : rot -27:sc= 0.945 USER MOD Set 4.1: A 31 SER OG : rot 94:sc= 0.443 USER MOD Set 4.2: A 32 ASN :FLIP amide:sc= -4.02! C(o=-7.3!,f=-3.6!) USER MOD Set 5.1: A 6 GLN : amide:sc= -8.18! C(o=-8.2!,f=-9.6!) USER MOD Set 5.2: A 106 THR OG1 : rot 180:sc= 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=-0.0063) USER MOD Single : A 9 SER OG : rot 180:sc= -0.288 USER MOD Single : A 11 SER OG : rot 180:sc= -0.556 USER MOD Single : A 13 SER OG : rot 180:sc= -0.36 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 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -50:sc= 0.00103 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= -5.23! C(o=-5.2!,f=-6.3!) USER MOD Single : A 38 GLN : amide:sc= -10.1! C(o=-10!,f=-18!) USER MOD Single : A 39 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.73 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.513 F(o=-1.9!,f=-0.51) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,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 -61:sc= 0.548 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00713 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.92 F(o=-4.3!,f=-1.9) USER MOD Single : A 75 SER OG : rot 180:sc= 0 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 USER MOD Single : A 89 TYR OH : rot 171:sc= 0.36 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -7.2! C(o=-8.4!,f=-7.2!) USER MOD Single : A 93 SER OG : rot 176:sc= -2! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.309 USER MOD Single : A 98 ASN : amide:sc= -2.29! C(o=-2.3!,f=-5.2!) USER MOD Single : A 99 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 73.601 6.335 -12.138 1.00 0.00 N ATOM 38 CA MET A 3 74.876 5.626 -12.144 1.00 0.00 C ATOM 39 C MET A 3 75.721 6.070 -10.953 1.00 0.00 C ATOM 40 O MET A 3 75.460 7.118 -10.363 1.00 0.00 O ATOM 41 CB MET A 3 75.620 5.912 -13.454 1.00 0.00 C ATOM 42 CG MET A 3 75.148 4.964 -14.560 1.00 0.00 C ATOM 43 SD MET A 3 76.136 5.238 -16.054 1.00 0.00 S ATOM 44 CE MET A 3 77.005 3.650 -16.114 1.00 0.00 C ATOM 0 HA MET A 3 74.693 4.554 -12.066 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.451 6.945 -13.757 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.693 5.796 -13.302 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.245 3.929 -14.232 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.093 5.134 -14.773 1.00 0.00 H new ATOM 0 HE1 MET A 3 77.669 3.631 -16.978 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.591 3.521 -15.204 1.00 0.00 H new ATOM 0 HE3 MET A 3 76.279 2.841 -16.196 1.00 0.00 H new ATOM 54 N LEU A 4 76.770 5.313 -10.642 1.00 0.00 N ATOM 55 CA LEU A 4 77.669 5.644 -9.545 1.00 0.00 C ATOM 56 C LEU A 4 79.114 5.613 -10.031 1.00 0.00 C ATOM 57 O LEU A 4 79.462 4.866 -10.945 1.00 0.00 O ATOM 58 CB LEU A 4 77.488 4.621 -8.421 1.00 0.00 C ATOM 59 CG LEU A 4 76.073 4.717 -7.837 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.686 3.402 -7.145 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.981 5.892 -6.855 1.00 0.00 C ATOM 0 H LEU A 4 77.018 4.459 -11.141 1.00 0.00 H new ATOM 0 HA LEU A 4 77.438 6.643 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.664 3.615 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.225 4.797 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 4 75.372 4.893 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.679 3.488 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.715 2.588 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.388 3.195 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.971 5.948 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.692 5.743 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.214 6.821 -7.376 1.00 0.00 H new ATOM 73 N THR A 5 79.957 6.421 -9.396 1.00 0.00 N ATOM 74 CA THR A 5 81.376 6.479 -9.734 1.00 0.00 C ATOM 75 C THR A 5 82.215 6.231 -8.485 1.00 0.00 C ATOM 76 O THR A 5 82.238 7.052 -7.569 1.00 0.00 O ATOM 77 CB THR A 5 81.705 7.857 -10.315 1.00 0.00 C ATOM 78 OG1 THR A 5 81.096 7.982 -11.592 1.00 0.00 O ATOM 79 CG2 THR A 5 83.219 8.046 -10.461 1.00 0.00 C ATOM 0 H THR A 5 79.681 7.048 -8.640 1.00 0.00 H new ATOM 0 HA THR A 5 81.604 5.711 -10.473 1.00 0.00 H new ATOM 0 HB THR A 5 81.324 8.619 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.302 8.863 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.424 9.033 -10.876 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.693 7.958 -9.483 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.618 7.282 -11.128 1.00 0.00 H new ATOM 87 N GLN A 6 82.959 5.128 -8.487 1.00 0.00 N ATOM 88 CA GLN A 6 83.807 4.760 -7.357 1.00 0.00 C ATOM 89 C GLN A 6 85.247 4.599 -7.842 1.00 0.00 C ATOM 90 O GLN A 6 85.459 4.211 -8.992 1.00 0.00 O ATOM 91 CB GLN A 6 83.299 3.454 -6.732 1.00 0.00 C ATOM 92 CG GLN A 6 81.793 3.301 -6.958 1.00 0.00 C ATOM 93 CD GLN A 6 81.294 2.027 -6.283 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.256 1.488 -6.667 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.911 1.576 -5.225 1.00 0.00 N ATOM 0 H GLN A 6 82.991 4.469 -9.265 1.00 0.00 H new ATOM 0 HA GLN A 6 83.773 5.542 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.826 2.606 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.515 3.447 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.266 4.166 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.578 3.265 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.771 2.023 -4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.533 0.777 -4.716 1.00 0.00 H new ATOM 104 N PRO A 7 86.216 4.671 -6.968 1.00 0.00 N ATOM 105 CA PRO A 7 87.640 4.527 -7.376 1.00 0.00 C ATOM 106 C PRO A 7 87.858 3.222 -8.135 1.00 0.00 C ATOM 107 O PRO A 7 87.189 2.224 -7.868 1.00 0.00 O ATOM 108 CB PRO A 7 88.432 4.558 -6.061 1.00 0.00 C ATOM 109 CG PRO A 7 87.455 4.835 -4.961 1.00 0.00 C ATOM 110 CD PRO A 7 86.120 5.217 -5.605 1.00 0.00 C ATOM 0 HA PRO A 7 87.959 5.318 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.939 3.607 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.202 5.328 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.335 3.957 -4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.816 5.642 -4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.277 4.789 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.977 6.297 -5.617 1.00 0.00 H new ATOM 118 N HIS A 8 88.792 3.235 -9.079 1.00 0.00 N ATOM 119 CA HIS A 8 89.099 2.032 -9.842 1.00 0.00 C ATOM 120 C HIS A 8 89.607 0.933 -8.914 1.00 0.00 C ATOM 121 O HIS A 8 89.407 -0.253 -9.180 1.00 0.00 O ATOM 122 CB HIS A 8 90.148 2.338 -10.913 1.00 0.00 C ATOM 123 CG HIS A 8 89.540 3.209 -11.978 1.00 0.00 C ATOM 124 ND1 HIS A 8 89.992 4.494 -12.228 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.479 3.013 -12.830 1.00 0.00 C ATOM 126 CE1 HIS A 8 89.233 5.009 -13.209 1.00 0.00 C ATOM 127 NE2 HIS A 8 88.292 4.152 -13.612 1.00 0.00 N ATOM 0 H HIS A 8 89.344 4.055 -9.332 1.00 0.00 H new ATOM 0 HA HIS A 8 88.187 1.688 -10.330 1.00 0.00 H new ATOM 0 HB2 HIS A 8 91.005 2.839 -10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.515 1.411 -11.353 1.00 0.00 H new ATOM 0 HD2 HIS A 8 87.882 2.115 -12.885 1.00 0.00 H new ATOM 0 HE1 HIS A 8 89.368 5.998 -13.622 1.00 0.00 H new ATOM 0 HE2 HIS A 8 87.588 4.299 -14.336 1.00 0.00 H new ATOM 135 N SER A 9 90.324 1.335 -7.868 1.00 0.00 N ATOM 136 CA SER A 9 90.878 0.373 -6.922 1.00 0.00 C ATOM 137 C SER A 9 91.649 1.114 -5.836 1.00 0.00 C ATOM 138 O SER A 9 91.973 2.293 -5.983 1.00 0.00 O ATOM 139 CB SER A 9 91.813 -0.603 -7.641 1.00 0.00 C ATOM 140 OG SER A 9 92.611 -1.283 -6.684 1.00 0.00 O ATOM 0 H SER A 9 90.533 2.311 -7.656 1.00 0.00 H new ATOM 0 HA SER A 9 90.061 -0.191 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.232 -1.320 -8.221 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.448 -0.064 -8.344 1.00 0.00 H new ATOM 0 HG SER A 9 93.209 -1.910 -7.143 1.00 0.00 H new ATOM 146 N VAL A 10 91.907 0.430 -4.726 1.00 0.00 N ATOM 147 CA VAL A 10 92.567 1.062 -3.590 1.00 0.00 C ATOM 148 C VAL A 10 93.212 0.005 -2.701 1.00 0.00 C ATOM 149 O VAL A 10 92.765 -1.140 -2.657 1.00 0.00 O ATOM 150 CB VAL A 10 91.557 1.881 -2.781 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.364 0.999 -2.399 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.235 2.417 -1.516 1.00 0.00 C ATOM 0 H VAL A 10 91.672 -0.553 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 10 93.343 1.729 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 10 91.201 2.718 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.648 1.585 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.884 0.625 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.711 0.158 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.518 3.000 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.593 1.582 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.077 3.050 -1.795 1.00 0.00 H new ATOM 162 N SER A 11 94.291 0.390 -2.027 1.00 0.00 N ATOM 163 CA SER A 11 95.026 -0.525 -1.162 1.00 0.00 C ATOM 164 C SER A 11 95.405 0.166 0.144 1.00 0.00 C ATOM 165 O SER A 11 95.519 1.390 0.199 1.00 0.00 O ATOM 166 CB SER A 11 96.297 -0.999 -1.869 1.00 0.00 C ATOM 167 OG SER A 11 95.955 -1.641 -3.089 1.00 0.00 O ATOM 0 H SER A 11 94.677 1.334 -2.064 1.00 0.00 H new ATOM 0 HA SER A 11 94.388 -1.380 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.954 -0.151 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.847 -1.687 -1.227 1.00 0.00 H new ATOM 0 HG SER A 11 96.771 -1.942 -3.540 1.00 0.00 H new ATOM 173 N GLU A 12 95.559 -0.626 1.199 1.00 0.00 N ATOM 174 CA GLU A 12 95.927 -0.091 2.505 1.00 0.00 C ATOM 175 C GLU A 12 96.601 -1.167 3.349 1.00 0.00 C ATOM 176 O GLU A 12 96.347 -2.358 3.169 1.00 0.00 O ATOM 177 CB GLU A 12 94.679 0.416 3.230 1.00 0.00 C ATOM 178 CG GLU A 12 95.072 1.130 4.525 1.00 0.00 C ATOM 179 CD GLU A 12 95.856 2.401 4.213 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.847 2.816 3.066 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.483 2.921 5.122 1.00 0.00 O ATOM 0 H GLU A 12 95.435 -1.638 1.176 1.00 0.00 H new ATOM 0 HA GLU A 12 96.624 0.734 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.126 1.098 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.015 -0.419 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.178 1.378 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.674 0.466 5.146 1.00 0.00 H new ATOM 188 N SER A 13 97.505 -0.748 4.229 1.00 0.00 N ATOM 189 CA SER A 13 98.218 -1.688 5.087 1.00 0.00 C ATOM 190 C SER A 13 97.417 -1.959 6.359 1.00 0.00 C ATOM 191 O SER A 13 96.728 -1.065 6.851 1.00 0.00 O ATOM 192 CB SER A 13 99.584 -1.105 5.454 1.00 0.00 C ATOM 193 OG SER A 13 100.083 -1.758 6.612 1.00 0.00 O ATOM 0 H SER A 13 97.760 0.230 4.366 1.00 0.00 H new ATOM 0 HA SER A 13 98.351 -2.627 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.280 -1.231 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.497 -0.034 5.637 1.00 0.00 H new ATOM 0 HG SER A 13 100.959 -1.385 6.846 1.00 0.00 H new ATOM 199 N PRO A 14 97.613 -3.086 6.993 1.00 0.00 N ATOM 200 CA PRO A 14 96.857 -3.435 8.229 1.00 0.00 C ATOM 201 C PRO A 14 97.083 -2.401 9.329 1.00 0.00 C ATOM 202 O PRO A 14 98.080 -1.679 9.321 1.00 0.00 O ATOM 203 CB PRO A 14 97.371 -4.825 8.636 1.00 0.00 C ATOM 204 CG PRO A 14 98.438 -5.208 7.659 1.00 0.00 C ATOM 205 CD PRO A 14 98.346 -4.250 6.469 1.00 0.00 C ATOM 0 HA PRO A 14 95.780 -3.443 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.768 -4.806 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.560 -5.553 8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.422 -5.147 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.304 -6.239 7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.335 -3.968 6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.820 -4.707 5.631 1.00 0.00 H new ATOM 213 N GLY A 15 96.110 -2.283 10.228 1.00 0.00 N ATOM 214 CA GLY A 15 96.204 -1.340 11.338 1.00 0.00 C ATOM 215 C GLY A 15 95.616 0.012 10.951 1.00 0.00 C ATOM 216 O GLY A 15 95.078 0.727 11.795 1.00 0.00 O ATOM 0 H GLY A 15 95.248 -2.828 10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.675 -1.737 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.247 -1.218 11.630 1.00 0.00 H new ATOM 220 N LYS A 16 95.799 0.395 9.692 1.00 0.00 N ATOM 221 CA LYS A 16 95.272 1.664 9.202 1.00 0.00 C ATOM 222 C LYS A 16 93.771 1.553 8.952 1.00 0.00 C ATOM 223 O LYS A 16 93.140 0.548 9.280 1.00 0.00 O ATOM 224 CB LYS A 16 96.007 2.070 7.916 1.00 0.00 C ATOM 225 CG LYS A 16 97.096 3.108 8.213 1.00 0.00 C ATOM 226 CD LYS A 16 98.214 2.481 9.058 1.00 0.00 C ATOM 227 CE LYS A 16 98.709 3.455 10.130 1.00 0.00 C ATOM 228 NZ LYS A 16 99.796 2.807 10.917 1.00 0.00 N ATOM 0 H LYS A 16 96.305 -0.151 8.995 1.00 0.00 H new ATOM 0 HA LYS A 16 95.435 2.433 9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 16 96.454 1.190 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.295 2.479 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.508 3.490 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 16 96.664 3.957 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.848 1.570 9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 16 99.044 2.194 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.076 4.370 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 16 97.887 3.739 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 100.136 3.465 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.430 1.946 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.582 2.557 10.283 1.00 0.00 H new ATOM 242 N THR A 17 93.224 2.611 8.364 1.00 0.00 N ATOM 243 CA THR A 17 91.813 2.663 7.996 1.00 0.00 C ATOM 244 C THR A 17 91.654 2.870 6.495 1.00 0.00 C ATOM 245 O THR A 17 92.530 3.420 5.829 1.00 0.00 O ATOM 246 CB THR A 17 91.117 3.807 8.738 1.00 0.00 C ATOM 247 OG1 THR A 17 91.870 4.998 8.562 1.00 0.00 O ATOM 248 CG2 THR A 17 91.011 3.500 10.237 1.00 0.00 C ATOM 0 H THR A 17 93.745 3.456 8.129 1.00 0.00 H new ATOM 0 HA THR A 17 91.356 1.713 8.274 1.00 0.00 H new ATOM 0 HB THR A 17 90.112 3.926 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.430 5.736 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.513 4.327 10.743 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.435 2.586 10.381 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.010 3.368 10.653 1.00 0.00 H new ATOM 256 N VAL A 18 90.514 2.424 5.978 1.00 0.00 N ATOM 257 CA VAL A 18 90.193 2.578 4.561 1.00 0.00 C ATOM 258 C VAL A 18 88.973 3.476 4.400 1.00 0.00 C ATOM 259 O VAL A 18 87.946 3.281 5.050 1.00 0.00 O ATOM 260 CB VAL A 18 89.954 1.203 3.925 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.128 1.336 2.643 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.291 0.521 3.601 1.00 0.00 C ATOM 0 H VAL A 18 89.792 1.950 6.521 1.00 0.00 H new ATOM 0 HA VAL A 18 91.033 3.048 4.049 1.00 0.00 H new ATOM 0 HB VAL A 18 89.403 0.593 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.970 0.349 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.164 1.788 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.661 1.966 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.103 -0.453 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.856 1.140 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.865 0.392 4.518 1.00 0.00 H new ATOM 272 N THR A 19 89.055 4.361 3.414 1.00 0.00 N ATOM 273 CA THR A 19 87.966 5.260 3.075 1.00 0.00 C ATOM 274 C THR A 19 87.576 5.040 1.615 1.00 0.00 C ATOM 275 O THR A 19 88.347 5.345 0.705 1.00 0.00 O ATOM 276 CB THR A 19 88.444 6.696 3.298 1.00 0.00 C ATOM 277 OG1 THR A 19 88.891 6.835 4.638 1.00 0.00 O ATOM 278 CG2 THR A 19 87.299 7.680 3.053 1.00 0.00 C ATOM 0 H THR A 19 89.882 4.473 2.827 1.00 0.00 H new ATOM 0 HA THR A 19 87.093 5.070 3.699 1.00 0.00 H new ATOM 0 HB THR A 19 89.256 6.911 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 19 89.200 7.753 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.653 8.698 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.945 7.578 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.482 7.466 3.742 1.00 0.00 H new ATOM 286 N ILE A 20 86.351 4.570 1.398 1.00 0.00 N ATOM 287 CA ILE A 20 85.830 4.377 0.047 1.00 0.00 C ATOM 288 C ILE A 20 84.825 5.472 -0.293 1.00 0.00 C ATOM 289 O ILE A 20 83.828 5.651 0.405 1.00 0.00 O ATOM 290 CB ILE A 20 85.147 3.012 -0.064 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.175 1.913 0.217 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.577 2.844 -1.475 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.480 0.553 0.312 1.00 0.00 C ATOM 0 H ILE A 20 85.700 4.315 2.140 1.00 0.00 H new ATOM 0 HA ILE A 20 86.664 4.423 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 20 84.336 2.942 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.923 1.893 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.702 2.126 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.090 1.872 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.850 3.632 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.385 2.908 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.221 -0.221 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.749 0.574 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.974 0.336 -0.629 1.00 0.00 H new ATOM 305 N SER A 21 85.031 6.123 -1.434 1.00 0.00 N ATOM 306 CA SER A 21 84.147 7.196 -1.877 1.00 0.00 C ATOM 307 C SER A 21 83.264 6.707 -3.022 1.00 0.00 C ATOM 308 O SER A 21 83.766 6.177 -4.012 1.00 0.00 O ATOM 309 CB SER A 21 84.990 8.388 -2.337 1.00 0.00 C ATOM 310 OG SER A 21 84.167 9.539 -2.453 1.00 0.00 O ATOM 0 H SER A 21 85.804 5.926 -2.070 1.00 0.00 H new ATOM 0 HA SER A 21 83.507 7.503 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.794 8.574 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.459 8.166 -3.296 1.00 0.00 H new ATOM 0 HG SER A 21 84.709 10.301 -2.746 1.00 0.00 H new ATOM 316 N CYS A 22 81.951 6.871 -2.880 1.00 0.00 N ATOM 317 CA CYS A 22 80.995 6.465 -3.910 1.00 0.00 C ATOM 318 C CYS A 22 80.188 7.711 -4.295 1.00 0.00 C ATOM 319 O CYS A 22 79.546 8.328 -3.443 1.00 0.00 O ATOM 320 CB CYS A 22 80.113 5.317 -3.371 1.00 0.00 C ATOM 321 SG CYS A 22 80.656 3.679 -3.955 1.00 0.00 S ATOM 0 H CYS A 22 81.521 7.286 -2.054 1.00 0.00 H new ATOM 0 HA CYS A 22 81.488 6.079 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.129 5.333 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.080 5.483 -3.677 1.00 0.00 H new ATOM 326 N THR A 23 80.293 8.153 -5.550 1.00 0.00 N ATOM 327 CA THR A 23 79.587 9.349 -6.018 1.00 0.00 C ATOM 328 C THR A 23 78.477 8.962 -6.990 1.00 0.00 C ATOM 329 O THR A 23 78.692 8.167 -7.904 1.00 0.00 O ATOM 330 CB THR A 23 80.536 10.315 -6.736 1.00 0.00 C ATOM 331 OG1 THR A 23 81.574 10.712 -5.851 1.00 0.00 O ATOM 332 CG2 THR A 23 79.784 11.566 -7.208 1.00 0.00 C ATOM 0 H THR A 23 80.863 7.699 -6.264 1.00 0.00 H new ATOM 0 HA THR A 23 79.170 9.840 -5.139 1.00 0.00 H new ATOM 0 HB THR A 23 80.954 9.802 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.180 11.328 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.477 12.238 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.991 11.275 -7.897 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.349 12.075 -6.348 1.00 0.00 H new ATOM 340 N GLY A 24 77.330 9.625 -6.865 1.00 0.00 N ATOM 341 CA GLY A 24 76.159 9.307 -7.677 1.00 0.00 C ATOM 342 C GLY A 24 75.822 10.449 -8.630 1.00 0.00 C ATOM 343 O GLY A 24 76.412 11.527 -8.553 1.00 0.00 O ATOM 0 H GLY A 24 77.187 10.390 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.345 8.397 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.306 9.108 -7.028 1.00 0.00 H new ATOM 347 N SER A 25 75.057 10.117 -9.667 1.00 0.00 N ATOM 348 CA SER A 25 74.709 11.070 -10.714 1.00 0.00 C ATOM 349 C SER A 25 73.218 10.981 -11.016 1.00 0.00 C ATOM 350 O SER A 25 72.643 9.893 -11.029 1.00 0.00 O ATOM 351 CB SER A 25 75.511 10.765 -11.981 1.00 0.00 C ATOM 352 OG SER A 25 75.484 11.897 -12.838 1.00 0.00 O ATOM 0 H SER A 25 74.664 9.186 -9.804 1.00 0.00 H new ATOM 0 HA SER A 25 74.947 12.078 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.540 10.515 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.091 9.898 -12.491 1.00 0.00 H new ATOM 0 HG SER A 25 75.998 11.705 -13.650 1.00 0.00 H new ATOM 358 N SER A 26 72.593 12.138 -11.215 1.00 0.00 N ATOM 359 CA SER A 26 71.169 12.197 -11.528 1.00 0.00 C ATOM 360 C SER A 26 70.333 12.090 -10.256 1.00 0.00 C ATOM 361 O SER A 26 69.104 12.106 -10.309 1.00 0.00 O ATOM 362 CB SER A 26 70.788 11.084 -12.508 1.00 0.00 C ATOM 363 OG SER A 26 69.668 11.505 -13.273 1.00 0.00 O ATOM 0 H SER A 26 73.051 13.048 -11.165 1.00 0.00 H new ATOM 0 HA SER A 26 70.963 13.159 -11.997 1.00 0.00 H new ATOM 0 HB2 SER A 26 71.628 10.856 -13.164 1.00 0.00 H new ATOM 0 HB3 SER A 26 70.551 10.169 -11.965 1.00 0.00 H new ATOM 0 HG SER A 26 68.968 11.838 -12.673 1.00 0.00 H new ATOM 369 N GLY A 27 71.009 11.971 -9.119 1.00 0.00 N ATOM 370 CA GLY A 27 70.319 11.872 -7.839 1.00 0.00 C ATOM 371 C GLY A 27 71.278 12.143 -6.684 1.00 0.00 C ATOM 372 O GLY A 27 72.473 11.857 -6.777 1.00 0.00 O ATOM 0 H GLY A 27 72.027 11.941 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.495 12.585 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.884 10.878 -7.731 1.00 0.00 H new ATOM 376 N SER A 28 70.729 12.606 -5.566 1.00 0.00 N ATOM 377 CA SER A 28 71.528 12.891 -4.378 1.00 0.00 C ATOM 378 C SER A 28 71.525 11.697 -3.428 1.00 0.00 C ATOM 379 O SER A 28 70.541 10.964 -3.338 1.00 0.00 O ATOM 380 CB SER A 28 70.980 14.124 -3.656 1.00 0.00 C ATOM 381 OG SER A 28 70.664 15.132 -4.607 1.00 0.00 O ATOM 0 H SER A 28 69.732 12.792 -5.457 1.00 0.00 H new ATOM 0 HA SER A 28 72.553 13.085 -4.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.091 13.858 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.716 14.499 -2.945 1.00 0.00 H new ATOM 0 HG SER A 28 70.312 15.920 -4.143 1.00 0.00 H new ATOM 387 N ILE A 29 72.658 11.479 -2.770 1.00 0.00 N ATOM 388 CA ILE A 29 72.811 10.349 -1.861 1.00 0.00 C ATOM 389 C ILE A 29 72.046 10.595 -0.563 1.00 0.00 C ATOM 390 O ILE A 29 71.943 9.702 0.279 1.00 0.00 O ATOM 391 CB ILE A 29 74.296 10.135 -1.532 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.096 11.427 -1.725 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.915 9.074 -2.448 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.489 12.625 -0.988 1.00 0.00 C ATOM 0 H ILE A 29 73.485 12.071 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 29 72.410 9.462 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 29 74.341 9.813 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.116 11.271 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 29 75.156 11.655 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.967 8.942 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.389 8.128 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.830 9.395 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.102 13.509 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.479 12.804 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.454 12.415 0.081 1.00 0.00 H new ATOM 406 N ALA A 30 71.474 11.786 -0.419 1.00 0.00 N ATOM 407 CA ALA A 30 70.704 12.124 0.774 1.00 0.00 C ATOM 408 C ALA A 30 69.214 12.025 0.473 1.00 0.00 C ATOM 409 O ALA A 30 68.380 12.056 1.377 1.00 0.00 O ATOM 410 CB ALA A 30 71.042 13.548 1.218 1.00 0.00 C ATOM 0 H ALA A 30 71.529 12.532 -1.112 1.00 0.00 H new ATOM 0 HA ALA A 30 70.957 11.426 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.466 13.798 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.106 13.616 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.795 14.247 0.419 1.00 0.00 H new ATOM 416 N SER A 31 68.896 11.934 -0.813 1.00 0.00 N ATOM 417 CA SER A 31 67.506 11.822 -1.241 1.00 0.00 C ATOM 418 C SER A 31 66.991 10.397 -1.066 1.00 0.00 C ATOM 419 O SER A 31 65.788 10.149 -1.152 1.00 0.00 O ATOM 420 CB SER A 31 67.359 12.231 -2.707 1.00 0.00 C ATOM 421 OG SER A 31 67.896 11.217 -3.543 1.00 0.00 O ATOM 0 H SER A 31 69.576 11.935 -1.573 1.00 0.00 H new ATOM 0 HA SER A 31 66.916 12.492 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.308 12.394 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.876 13.174 -2.885 1.00 0.00 H new ATOM 0 HG SER A 31 67.179 10.610 -3.822 1.00 0.00 H new ATOM 427 N ASN A 32 67.900 9.463 -0.805 1.00 0.00 N ATOM 428 CA ASN A 32 67.518 8.064 -0.651 1.00 0.00 C ATOM 429 C ASN A 32 68.523 7.332 0.231 1.00 0.00 C ATOM 430 O ASN A 32 69.637 7.808 0.447 1.00 0.00 O ATOM 431 CB ASN A 32 67.447 7.385 -2.021 1.00 0.00 C ATOM 432 CG ASN A 32 66.763 8.304 -3.028 1.00 0.00 C ATOM 433 OD1 ASN A 32 67.473 8.846 -3.979 1.00 0.00 O flip ATOM 434 ND2 ASN A 32 65.555 8.529 -2.953 1.00 0.00 N flip ATOM 0 H ASN A 32 68.897 9.647 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 32 66.537 8.024 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.451 7.139 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 32 66.898 6.447 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.002 8.104 -2.209 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.107 9.140 -3.635 1.00 0.00 H new ATOM 441 N TYR A 33 68.141 6.141 0.680 1.00 0.00 N ATOM 442 CA TYR A 33 69.004 5.345 1.545 1.00 0.00 C ATOM 443 C TYR A 33 70.041 4.618 0.691 1.00 0.00 C ATOM 444 O TYR A 33 69.739 4.185 -0.420 1.00 0.00 O ATOM 445 CB TYR A 33 68.168 4.340 2.351 1.00 0.00 C ATOM 446 CG TYR A 33 66.691 4.592 2.159 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.037 4.059 1.042 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.987 5.380 3.077 1.00 0.00 C ATOM 449 CE1 TYR A 33 64.674 4.308 0.844 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.633 5.659 2.859 1.00 0.00 C ATOM 451 CZ TYR A 33 63.970 5.097 1.761 1.00 0.00 C ATOM 452 OH TYR A 33 62.626 5.343 1.568 1.00 0.00 O ATOM 0 H TYR A 33 67.244 5.707 0.461 1.00 0.00 H new ATOM 0 HA TYR A 33 69.517 6.001 2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.412 3.325 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.420 4.417 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 33 66.584 3.456 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 33 66.487 5.771 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 33 64.167 3.892 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 33 64.099 6.308 3.538 1.00 0.00 H new ATOM 0 HH TYR A 33 62.289 5.906 2.295 1.00 0.00 H new ATOM 462 N VAL A 34 71.238 4.420 1.237 1.00 0.00 N ATOM 463 CA VAL A 34 72.308 3.744 0.510 1.00 0.00 C ATOM 464 C VAL A 34 72.863 2.621 1.382 1.00 0.00 C ATOM 465 O VAL A 34 73.036 2.792 2.589 1.00 0.00 O ATOM 466 CB VAL A 34 73.402 4.757 0.159 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.574 4.086 -0.565 1.00 0.00 C ATOM 468 CG2 VAL A 34 72.824 5.846 -0.747 1.00 0.00 C ATOM 0 H VAL A 34 71.491 4.718 2.179 1.00 0.00 H new ATOM 0 HA VAL A 34 71.928 3.315 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 34 73.767 5.189 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.332 4.833 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.007 3.319 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.218 3.629 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.605 6.565 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.443 5.393 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.012 6.356 -0.230 1.00 0.00 H new ATOM 478 N GLN A 35 73.147 1.475 0.768 1.00 0.00 N ATOM 479 CA GLN A 35 73.646 0.317 1.503 1.00 0.00 C ATOM 480 C GLN A 35 74.962 -0.140 0.888 1.00 0.00 C ATOM 481 O GLN A 35 75.227 0.105 -0.289 1.00 0.00 O ATOM 482 CB GLN A 35 72.643 -0.835 1.423 1.00 0.00 C ATOM 483 CG GLN A 35 71.282 -0.381 1.955 1.00 0.00 C ATOM 484 CD GLN A 35 70.639 0.602 0.982 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.872 0.525 -0.224 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.854 1.538 1.441 1.00 0.00 N ATOM 0 H GLN A 35 73.040 1.324 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 35 73.791 0.599 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.545 -1.172 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.005 -1.684 2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.631 -1.244 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.403 0.088 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 35 69.663 1.599 2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 35 69.431 2.209 0.800 1.00 0.00 H new ATOM 495 N TRP A 36 75.832 -0.702 1.721 1.00 0.00 N ATOM 496 CA TRP A 36 77.139 -1.157 1.262 1.00 0.00 C ATOM 497 C TRP A 36 77.174 -2.678 1.171 1.00 0.00 C ATOM 498 O TRP A 36 76.499 -3.375 1.929 1.00 0.00 O ATOM 499 CB TRP A 36 78.217 -0.697 2.243 1.00 0.00 C ATOM 500 CG TRP A 36 78.388 0.784 2.141 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.629 1.707 2.774 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.405 1.526 1.407 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.083 2.968 2.439 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.178 2.911 1.602 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.466 1.133 0.576 1.00 0.00 C ATOM 506 CZ2 TRP A 36 80.006 3.872 1.012 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.296 2.095 -0.015 1.00 0.00 C ATOM 508 CH2 TRP A 36 81.063 3.461 0.192 1.00 0.00 C ATOM 0 H TRP A 36 75.656 -0.853 2.714 1.00 0.00 H new ATOM 0 HA TRP A 36 77.324 -0.733 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.938 -0.972 3.260 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.160 -1.198 2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.802 1.493 3.435 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.660 3.835 2.770 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.643 0.084 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.831 4.923 1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.122 1.781 -0.635 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.698 4.196 -0.281 1.00 0.00 H new ATOM 519 N TYR A 37 77.925 -3.176 0.196 1.00 0.00 N ATOM 520 CA TYR A 37 78.031 -4.608 -0.055 1.00 0.00 C ATOM 521 C TYR A 37 79.481 -4.970 -0.355 1.00 0.00 C ATOM 522 O TYR A 37 80.261 -4.131 -0.807 1.00 0.00 O ATOM 523 CB TYR A 37 77.134 -5.008 -1.231 1.00 0.00 C ATOM 524 CG TYR A 37 75.720 -5.244 -0.754 1.00 0.00 C ATOM 525 CD1 TYR A 37 74.876 -4.157 -0.497 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.265 -6.552 -0.540 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.574 -4.377 -0.036 1.00 0.00 C ATOM 528 CE2 TYR A 37 73.955 -6.771 -0.097 1.00 0.00 C ATOM 529 CZ TYR A 37 73.104 -5.684 0.136 1.00 0.00 C ATOM 530 OH TYR A 37 71.813 -5.900 0.572 1.00 0.00 O ATOM 0 H TYR A 37 78.476 -2.601 -0.441 1.00 0.00 H new ATOM 0 HA TYR A 37 77.703 -5.150 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.144 -4.224 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.522 -5.911 -1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.230 -3.149 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.924 -7.390 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.931 -3.538 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.601 -7.778 0.065 1.00 0.00 H new ATOM 0 HH TYR A 37 71.832 -6.280 1.475 1.00 0.00 H new ATOM 540 N GLN A 38 79.839 -6.222 -0.089 1.00 0.00 N ATOM 541 CA GLN A 38 81.201 -6.695 -0.319 1.00 0.00 C ATOM 542 C GLN A 38 81.146 -7.998 -1.108 1.00 0.00 C ATOM 543 O GLN A 38 80.330 -8.870 -0.807 1.00 0.00 O ATOM 544 CB GLN A 38 81.895 -6.917 1.033 1.00 0.00 C ATOM 545 CG GLN A 38 83.246 -6.202 1.115 1.00 0.00 C ATOM 546 CD GLN A 38 84.272 -6.952 0.271 1.00 0.00 C ATOM 547 OE1 GLN A 38 83.932 -7.925 -0.401 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.530 -6.613 0.339 1.00 0.00 N ATOM 0 H GLN A 38 79.205 -6.928 0.286 1.00 0.00 H new ATOM 0 HA GLN A 38 81.766 -5.957 -0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.248 -6.560 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.041 -7.985 1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.148 -5.176 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.580 -6.151 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.811 -5.806 0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.232 -7.155 -0.165 1.00 0.00 H new ATOM 557 N GLN A 39 82.131 -8.199 -1.979 1.00 0.00 N ATOM 558 CA GLN A 39 82.169 -9.390 -2.822 1.00 0.00 C ATOM 559 C GLN A 39 83.493 -10.122 -2.636 1.00 0.00 C ATOM 560 O GLN A 39 84.515 -9.726 -3.198 1.00 0.00 O ATOM 561 CB GLN A 39 82.012 -8.980 -4.289 1.00 0.00 C ATOM 562 CG GLN A 39 80.560 -8.580 -4.562 1.00 0.00 C ATOM 563 CD GLN A 39 80.415 -8.126 -6.011 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.326 -8.322 -6.816 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.328 -7.512 -6.391 1.00 0.00 N ATOM 0 H GLN A 39 82.910 -7.556 -2.119 1.00 0.00 H new ATOM 0 HA GLN A 39 81.354 -10.055 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.677 -8.147 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.300 -9.805 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 39 79.898 -9.423 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.261 -7.777 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 39 78.574 -7.350 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 39 79.232 -7.194 -7.355 1.00 0.00 H new ATOM 574 N ARG A 40 83.482 -11.153 -1.798 1.00 0.00 N ATOM 575 CA ARG A 40 84.690 -11.927 -1.536 1.00 0.00 C ATOM 576 C ARG A 40 84.850 -13.034 -2.576 1.00 0.00 C ATOM 577 O ARG A 40 83.871 -13.701 -2.910 1.00 0.00 O ATOM 578 CB ARG A 40 84.636 -12.546 -0.136 1.00 0.00 C ATOM 579 CG ARG A 40 84.667 -11.461 0.948 1.00 0.00 C ATOM 580 CD ARG A 40 83.268 -10.894 1.216 1.00 0.00 C ATOM 581 NE ARG A 40 82.742 -11.429 2.467 1.00 0.00 N ATOM 582 CZ ARG A 40 82.983 -10.839 3.633 1.00 0.00 C ATOM 583 NH1 ARG A 40 83.644 -9.714 3.680 1.00 0.00 N ATOM 584 NH2 ARG A 40 82.449 -11.321 4.722 1.00 0.00 N ATOM 0 H ARG A 40 82.656 -11.471 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 40 85.545 -11.253 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.729 -13.142 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.479 -13.223 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.075 -11.877 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.334 -10.656 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 40 83.311 -9.806 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 40 82.600 -11.149 0.393 1.00 0.00 H new ATOM 0 HE ARG A 40 82.175 -12.277 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 40 83.979 -9.283 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 40 83.826 -9.266 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 40 81.851 -12.146 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 40 82.630 -10.873 5.620 1.00 0.00 H new ATOM 598 N PRO A 41 86.030 -13.274 -3.088 1.00 0.00 N ATOM 599 CA PRO A 41 86.232 -14.323 -4.128 1.00 0.00 C ATOM 600 C PRO A 41 85.684 -15.668 -3.658 1.00 0.00 C ATOM 601 O PRO A 41 85.951 -16.093 -2.533 1.00 0.00 O ATOM 602 CB PRO A 41 87.749 -14.381 -4.361 1.00 0.00 C ATOM 603 CG PRO A 41 88.387 -13.360 -3.470 1.00 0.00 C ATOM 604 CD PRO A 41 87.280 -12.564 -2.773 1.00 0.00 C ATOM 0 HA PRO A 41 85.699 -14.091 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.132 -15.377 -4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.983 -14.177 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.025 -13.847 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 41 89.023 -12.694 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.446 -12.520 -1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.249 -11.536 -3.133 1.00 0.00 H new ATOM 612 N GLY A 42 84.971 -16.362 -4.538 1.00 0.00 N ATOM 613 CA GLY A 42 84.457 -17.689 -4.216 1.00 0.00 C ATOM 614 C GLY A 42 83.227 -17.596 -3.319 1.00 0.00 C ATOM 615 O GLY A 42 82.737 -18.604 -2.810 1.00 0.00 O ATOM 0 H GLY A 42 84.737 -16.031 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.202 -18.217 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.232 -18.272 -3.718 1.00 0.00 H new ATOM 619 N SER A 43 82.745 -16.374 -3.107 1.00 0.00 N ATOM 620 CA SER A 43 81.589 -16.147 -2.245 1.00 0.00 C ATOM 621 C SER A 43 80.723 -15.022 -2.803 1.00 0.00 C ATOM 622 O SER A 43 81.229 -14.039 -3.345 1.00 0.00 O ATOM 623 CB SER A 43 82.059 -15.777 -0.837 1.00 0.00 C ATOM 624 OG SER A 43 80.983 -15.197 -0.115 1.00 0.00 O ATOM 0 H SER A 43 83.136 -15.527 -3.520 1.00 0.00 H new ATOM 0 HA SER A 43 80.999 -17.062 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 43 82.422 -16.664 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.893 -15.077 -0.893 1.00 0.00 H new ATOM 0 HG SER A 43 81.284 -14.961 0.787 1.00 0.00 H new ATOM 630 N SER A 44 79.413 -15.152 -2.615 1.00 0.00 N ATOM 631 CA SER A 44 78.473 -14.173 -3.147 1.00 0.00 C ATOM 632 C SER A 44 78.653 -12.829 -2.443 1.00 0.00 C ATOM 633 O SER A 44 79.479 -12.714 -1.539 1.00 0.00 O ATOM 634 CB SER A 44 77.047 -14.708 -2.979 1.00 0.00 C ATOM 635 OG SER A 44 76.324 -14.522 -4.188 1.00 0.00 O ATOM 0 H SER A 44 78.981 -15.920 -2.102 1.00 0.00 H new ATOM 0 HA SER A 44 78.664 -14.013 -4.208 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.073 -15.766 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.547 -14.190 -2.161 1.00 0.00 H new ATOM 0 HG SER A 44 75.413 -14.866 -4.080 1.00 0.00 H new ATOM 641 N PRO A 45 77.840 -11.852 -2.750 1.00 0.00 N ATOM 642 CA PRO A 45 77.919 -10.521 -2.088 1.00 0.00 C ATOM 643 C PRO A 45 77.428 -10.579 -0.643 1.00 0.00 C ATOM 644 O PRO A 45 76.543 -11.369 -0.317 1.00 0.00 O ATOM 645 CB PRO A 45 77.040 -9.599 -2.946 1.00 0.00 C ATOM 646 CG PRO A 45 76.643 -10.385 -4.155 1.00 0.00 C ATOM 647 CD PRO A 45 76.818 -11.865 -3.810 1.00 0.00 C ATOM 0 HA PRO A 45 78.946 -10.161 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.161 -9.275 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.586 -8.700 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.609 -10.173 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.262 -10.114 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.885 -12.309 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.144 -12.443 -4.675 1.00 0.00 H new ATOM 655 N THR A 46 77.927 -9.676 0.197 1.00 0.00 N ATOM 656 CA THR A 46 77.479 -9.587 1.585 1.00 0.00 C ATOM 657 C THR A 46 77.243 -8.133 1.988 1.00 0.00 C ATOM 658 O THR A 46 78.091 -7.271 1.757 1.00 0.00 O ATOM 659 CB THR A 46 78.535 -10.199 2.507 1.00 0.00 C ATOM 660 OG1 THR A 46 78.839 -11.516 2.071 1.00 0.00 O ATOM 661 CG2 THR A 46 77.995 -10.251 3.937 1.00 0.00 C ATOM 0 H THR A 46 78.642 -8.995 -0.059 1.00 0.00 H new ATOM 0 HA THR A 46 76.541 -10.134 1.678 1.00 0.00 H new ATOM 0 HB THR A 46 79.437 -9.588 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.517 -11.908 2.661 1.00 0.00 H new ATOM 0 HG21 THR A 46 78.747 -10.687 4.594 1.00 0.00 H new ATOM 0 HG22 THR A 46 77.760 -9.241 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.092 -10.862 3.963 1.00 0.00 H new ATOM 669 N THR A 47 76.108 -7.874 2.631 1.00 0.00 N ATOM 670 CA THR A 47 75.802 -6.530 3.109 1.00 0.00 C ATOM 671 C THR A 47 76.802 -6.093 4.176 1.00 0.00 C ATOM 672 O THR A 47 76.878 -6.704 5.242 1.00 0.00 O ATOM 673 CB THR A 47 74.377 -6.503 3.673 1.00 0.00 C ATOM 674 OG1 THR A 47 73.451 -6.664 2.607 1.00 0.00 O ATOM 675 CG2 THR A 47 74.091 -5.177 4.386 1.00 0.00 C ATOM 0 H THR A 47 75.391 -8.571 2.832 1.00 0.00 H new ATOM 0 HA THR A 47 75.875 -5.833 2.274 1.00 0.00 H new ATOM 0 HB THR A 47 74.276 -7.314 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.849 -6.331 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.073 -5.186 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.794 -5.047 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.202 -4.353 3.681 1.00 0.00 H new ATOM 683 N VAL A 48 77.400 -4.919 3.984 1.00 0.00 N ATOM 684 CA VAL A 48 78.375 -4.405 4.943 1.00 0.00 C ATOM 685 C VAL A 48 77.702 -3.412 5.887 1.00 0.00 C ATOM 686 O VAL A 48 77.945 -3.446 7.093 1.00 0.00 O ATOM 687 CB VAL A 48 79.527 -3.709 4.207 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.616 -3.253 5.190 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.141 -4.649 3.163 1.00 0.00 C ATOM 0 H VAL A 48 77.229 -4.312 3.183 1.00 0.00 H new ATOM 0 HA VAL A 48 78.772 -5.241 5.518 1.00 0.00 H new ATOM 0 HB VAL A 48 79.118 -2.831 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.420 -2.763 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.188 -2.553 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.014 -4.119 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.957 -4.140 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.524 -5.541 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.379 -4.935 2.438 1.00 0.00 H new ATOM 699 N ILE A 49 76.858 -2.531 5.357 1.00 0.00 N ATOM 700 CA ILE A 49 76.182 -1.531 6.180 1.00 0.00 C ATOM 701 C ILE A 49 74.755 -1.313 5.689 1.00 0.00 C ATOM 702 O ILE A 49 74.406 -1.697 4.572 1.00 0.00 O ATOM 703 CB ILE A 49 76.969 -0.217 6.147 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.312 -0.451 6.844 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.174 0.906 6.823 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.085 0.859 6.990 1.00 0.00 C ATOM 0 H ILE A 49 76.626 -2.489 4.365 1.00 0.00 H new ATOM 0 HA ILE A 49 76.136 -1.890 7.208 1.00 0.00 H new ATOM 0 HB ILE A 49 77.143 0.095 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.144 -0.891 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.904 -1.166 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.750 1.831 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.228 1.048 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.978 0.639 7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.035 0.667 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.271 1.283 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.500 1.562 7.583 1.00 0.00 H new ATOM 718 N TYR A 50 73.961 -0.624 6.502 1.00 0.00 N ATOM 719 CA TYR A 50 72.565 -0.344 6.178 1.00 0.00 C ATOM 720 C TYR A 50 72.300 1.158 6.250 1.00 0.00 C ATOM 721 O TYR A 50 72.915 1.880 7.035 1.00 0.00 O ATOM 722 CB TYR A 50 71.651 -1.089 7.161 1.00 0.00 C ATOM 723 CG TYR A 50 70.681 -1.992 6.435 1.00 0.00 C ATOM 724 CD1 TYR A 50 71.162 -3.096 5.723 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.312 -1.698 6.426 1.00 0.00 C ATOM 726 CE1 TYR A 50 70.274 -3.913 5.014 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.417 -2.542 5.760 1.00 0.00 C ATOM 728 CZ TYR A 50 68.900 -3.647 5.050 1.00 0.00 C ATOM 729 OH TYR A 50 68.021 -4.462 4.366 1.00 0.00 O ATOM 0 H TYR A 50 74.264 -0.245 7.399 1.00 0.00 H new ATOM 0 HA TYR A 50 72.356 -0.686 5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.257 -1.680 7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.098 -0.368 7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 50 72.219 -3.318 5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 50 68.946 -0.818 6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.648 -4.748 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.356 -2.341 5.794 1.00 0.00 H new ATOM 0 HH TYR A 50 67.105 -4.138 4.497 1.00 0.00 H new ATOM 739 N GLU A 51 71.377 1.608 5.409 1.00 0.00 N ATOM 740 CA GLU A 51 70.971 3.008 5.372 1.00 0.00 C ATOM 741 C GLU A 51 72.194 3.919 5.446 1.00 0.00 C ATOM 742 O GLU A 51 72.091 5.096 5.788 1.00 0.00 O ATOM 743 CB GLU A 51 70.047 3.270 6.568 1.00 0.00 C ATOM 744 CG GLU A 51 69.000 4.334 6.230 1.00 0.00 C ATOM 745 CD GLU A 51 68.385 4.896 7.507 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.949 4.104 8.325 1.00 0.00 O ATOM 747 OE2 GLU A 51 68.248 6.105 7.590 1.00 0.00 O ATOM 0 H GLU A 51 70.890 1.016 4.736 1.00 0.00 H new ATOM 0 HA GLU A 51 70.449 3.219 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.550 2.344 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.638 3.595 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 51 69.461 5.138 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.221 3.901 5.603 1.00 0.00 H new ATOM 754 N ASP A 52 73.349 3.363 5.099 1.00 0.00 N ATOM 755 CA ASP A 52 74.590 4.126 5.078 1.00 0.00 C ATOM 756 C ASP A 52 74.712 4.952 6.357 1.00 0.00 C ATOM 757 O ASP A 52 75.510 5.887 6.427 1.00 0.00 O ATOM 758 CB ASP A 52 74.650 5.022 3.835 1.00 0.00 C ATOM 759 CG ASP A 52 75.494 4.375 2.740 1.00 0.00 C ATOM 760 OD1 ASP A 52 75.367 3.174 2.564 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.090 5.111 1.972 1.00 0.00 O ATOM 0 H ASP A 52 73.451 2.385 4.828 1.00 0.00 H new ATOM 0 HA ASP A 52 75.432 3.435 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.642 5.204 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 52 75.072 5.992 4.100 1.00 0.00 H new ATOM 766 N ASN A 53 73.960 4.569 7.387 1.00 0.00 N ATOM 767 CA ASN A 53 73.988 5.271 8.669 1.00 0.00 C ATOM 768 C ASN A 53 74.598 4.391 9.754 1.00 0.00 C ATOM 769 O ASN A 53 75.099 4.892 10.760 1.00 0.00 O ATOM 770 CB ASN A 53 72.573 5.697 9.065 1.00 0.00 C ATOM 771 CG ASN A 53 72.075 6.810 8.146 1.00 0.00 C ATOM 772 OD1 ASN A 53 72.921 7.490 7.420 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 70.871 7.052 8.063 1.00 0.00 N flip ATOM 0 H ASN A 53 73.322 3.774 7.359 1.00 0.00 H new ATOM 0 HA ASN A 53 74.609 6.160 8.562 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.900 4.842 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.566 6.040 10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.205 6.525 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 53 70.540 7.780 7.430 1.00 0.00 H new ATOM 780 N GLN A 54 74.465 3.080 9.590 1.00 0.00 N ATOM 781 CA GLN A 54 74.950 2.137 10.591 1.00 0.00 C ATOM 782 C GLN A 54 74.733 0.707 10.110 1.00 0.00 C ATOM 783 O GLN A 54 73.918 0.453 9.223 1.00 0.00 O ATOM 784 CB GLN A 54 74.217 2.356 11.919 1.00 0.00 C ATOM 785 CG GLN A 54 72.756 2.746 11.658 1.00 0.00 C ATOM 786 CD GLN A 54 71.849 2.231 12.771 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.416 3.002 13.626 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.577 0.958 12.834 1.00 0.00 N ATOM 0 H GLN A 54 74.027 2.647 8.777 1.00 0.00 H new ATOM 0 HA GLN A 54 76.017 2.303 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.257 1.447 12.519 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.713 3.139 12.492 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.672 3.830 11.587 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.432 2.338 10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.939 0.323 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.002 0.596 13.595 1.00 0.00 H new ATOM 797 N ARG A 55 75.443 -0.226 10.731 1.00 0.00 N ATOM 798 CA ARG A 55 75.394 -1.624 10.323 1.00 0.00 C ATOM 799 C ARG A 55 74.466 -2.396 11.257 1.00 0.00 C ATOM 800 O ARG A 55 74.354 -2.041 12.431 1.00 0.00 O ATOM 801 CB ARG A 55 76.815 -2.188 10.391 1.00 0.00 C ATOM 802 CG ARG A 55 77.238 -2.382 11.848 1.00 0.00 C ATOM 803 CD ARG A 55 78.748 -2.617 11.904 1.00 0.00 C ATOM 804 NE ARG A 55 79.474 -1.377 11.654 1.00 0.00 N ATOM 805 CZ ARG A 55 79.234 -0.279 12.364 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.398 -0.289 13.659 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.681 0.754 11.789 1.00 0.00 N ATOM 0 H ARG A 55 76.061 -0.039 11.521 1.00 0.00 H new ATOM 0 HA ARG A 55 75.010 -1.716 9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.862 -3.140 9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.507 -1.510 9.891 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.972 -1.504 12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.709 -3.230 12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.023 -3.014 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.032 -3.366 11.164 1.00 0.00 H new ATOM 0 HE ARG A 55 80.181 -1.352 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.711 -1.140 14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.214 0.554 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.435 0.716 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.495 1.599 12.329 1.00 0.00 H new ATOM 821 N PRO A 56 73.965 -3.532 10.851 1.00 0.00 N ATOM 822 CA PRO A 56 73.041 -4.315 11.716 1.00 0.00 C ATOM 823 C PRO A 56 73.725 -4.681 13.029 1.00 0.00 C ATOM 824 O PRO A 56 74.944 -4.565 13.146 1.00 0.00 O ATOM 825 CB PRO A 56 72.679 -5.559 10.892 1.00 0.00 C ATOM 826 CG PRO A 56 73.451 -5.474 9.613 1.00 0.00 C ATOM 827 CD PRO A 56 73.932 -4.029 9.465 1.00 0.00 C ATOM 0 HA PRO A 56 72.148 -3.754 11.991 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.932 -6.469 11.436 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.608 -5.593 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.297 -6.161 9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.825 -5.759 8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.916 -3.980 8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.254 -3.442 8.845 1.00 0.00 H new ATOM 835 N SER A 57 72.930 -4.954 14.057 1.00 0.00 N ATOM 836 CA SER A 57 73.493 -5.374 15.333 1.00 0.00 C ATOM 837 C SER A 57 74.102 -6.767 15.203 1.00 0.00 C ATOM 838 O SER A 57 73.462 -7.686 14.692 1.00 0.00 O ATOM 839 CB SER A 57 72.415 -5.343 16.419 1.00 0.00 C ATOM 840 OG SER A 57 72.958 -4.764 17.596 1.00 0.00 O ATOM 0 H SER A 57 71.912 -4.894 14.034 1.00 0.00 H new ATOM 0 HA SER A 57 74.285 -4.682 15.621 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.555 -4.766 16.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.060 -6.353 16.626 1.00 0.00 H new ATOM 0 HG SER A 57 72.272 -4.740 18.295 1.00 0.00 H new ATOM 846 N GLY A 58 75.255 -6.960 15.835 1.00 0.00 N ATOM 847 CA GLY A 58 75.888 -8.274 15.888 1.00 0.00 C ATOM 848 C GLY A 58 77.094 -8.341 14.956 1.00 0.00 C ATOM 849 O GLY A 58 78.122 -8.924 15.302 1.00 0.00 O ATOM 0 H GLY A 58 75.770 -6.224 16.318 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.202 -8.489 16.910 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.165 -9.041 15.608 1.00 0.00 H new ATOM 853 N VAL A 59 76.984 -7.715 13.789 1.00 0.00 N ATOM 854 CA VAL A 59 78.071 -7.757 12.818 1.00 0.00 C ATOM 855 C VAL A 59 79.231 -6.882 13.291 1.00 0.00 C ATOM 856 O VAL A 59 79.001 -5.870 13.953 1.00 0.00 O ATOM 857 CB VAL A 59 77.565 -7.256 11.460 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.539 -8.254 10.908 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.946 -5.855 11.606 1.00 0.00 C ATOM 0 H VAL A 59 76.166 -7.180 13.495 1.00 0.00 H new ATOM 0 HA VAL A 59 78.421 -8.784 12.719 1.00 0.00 H new ATOM 0 HB VAL A 59 78.399 -7.181 10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.175 -7.904 9.942 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.009 -9.230 10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.703 -8.338 11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.591 -5.511 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.110 -5.898 12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.698 -5.162 11.983 1.00 0.00 H new ATOM 869 N PRO A 60 80.436 -7.150 12.863 1.00 0.00 N ATOM 870 CA PRO A 60 81.616 -6.378 13.342 1.00 0.00 C ATOM 871 C PRO A 60 81.466 -4.893 13.023 1.00 0.00 C ATOM 872 O PRO A 60 80.742 -4.528 12.098 1.00 0.00 O ATOM 873 CB PRO A 60 82.815 -6.994 12.607 1.00 0.00 C ATOM 874 CG PRO A 60 82.291 -8.106 11.752 1.00 0.00 C ATOM 875 CD PRO A 60 80.852 -8.390 12.189 1.00 0.00 C ATOM 0 HA PRO A 60 81.734 -6.435 14.424 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.318 -6.244 11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.550 -7.370 13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.323 -7.826 10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.908 -8.998 11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.212 -8.615 11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.800 -9.247 12.861 1.00 0.00 H new ATOM 883 N ASP A 61 82.161 -4.042 13.772 1.00 0.00 N ATOM 884 CA ASP A 61 82.087 -2.599 13.560 1.00 0.00 C ATOM 885 C ASP A 61 83.337 -2.096 12.848 1.00 0.00 C ATOM 886 O ASP A 61 83.778 -0.968 13.063 1.00 0.00 O ATOM 887 CB ASP A 61 81.937 -1.875 14.899 1.00 0.00 C ATOM 888 CG ASP A 61 80.806 -2.502 15.706 1.00 0.00 C ATOM 889 OD1 ASP A 61 79.880 -3.013 15.098 1.00 0.00 O ATOM 890 OD2 ASP A 61 80.883 -2.463 16.923 1.00 0.00 O ATOM 0 H ASP A 61 82.781 -4.326 14.530 1.00 0.00 H new ATOM 0 HA ASP A 61 81.217 -2.391 12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.870 -1.932 15.459 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.731 -0.818 14.729 1.00 0.00 H new ATOM 895 N ARG A 62 83.856 -2.915 11.940 1.00 0.00 N ATOM 896 CA ARG A 62 85.061 -2.553 11.205 1.00 0.00 C ATOM 897 C ARG A 62 84.733 -1.608 10.054 1.00 0.00 C ATOM 898 O ARG A 62 85.633 -0.987 9.491 1.00 0.00 O ATOM 899 CB ARG A 62 85.729 -3.811 10.647 1.00 0.00 C ATOM 900 CG ARG A 62 86.111 -4.740 11.800 1.00 0.00 C ATOM 901 CD ARG A 62 86.700 -6.030 11.225 1.00 0.00 C ATOM 902 NE ARG A 62 87.744 -5.702 10.259 1.00 0.00 N ATOM 903 CZ ARG A 62 87.647 -6.048 8.978 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.517 -7.307 8.657 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.541 -5.127 8.058 1.00 0.00 N ATOM 0 H ARG A 62 83.465 -3.825 11.697 1.00 0.00 H new ATOM 0 HA ARG A 62 85.739 -2.048 11.894 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.052 -4.322 9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.616 -3.541 10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.836 -4.253 12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.235 -4.964 12.409 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.112 -6.643 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.917 -6.617 10.745 1.00 0.00 H new ATOM 0 HE ARG A 62 88.570 -5.194 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 62 87.490 -8.019 9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.442 -7.578 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 62 87.533 -4.142 8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 62 87.467 -5.393 7.076 1.00 0.00 H new ATOM 919 N PHE A 63 83.462 -1.549 9.665 1.00 0.00 N ATOM 920 CA PHE A 63 83.033 -0.716 8.544 1.00 0.00 C ATOM 921 C PHE A 63 82.078 0.367 9.033 1.00 0.00 C ATOM 922 O PHE A 63 81.259 0.132 9.922 1.00 0.00 O ATOM 923 CB PHE A 63 82.357 -1.573 7.467 1.00 0.00 C ATOM 924 CG PHE A 63 82.871 -2.991 7.538 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.340 -3.878 8.483 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.873 -3.423 6.662 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.816 -5.192 8.557 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.359 -4.734 6.744 1.00 0.00 C ATOM 929 CZ PHE A 63 83.804 -5.629 7.666 1.00 0.00 C ATOM 0 H PHE A 63 82.708 -2.071 10.112 1.00 0.00 H new ATOM 0 HA PHE A 63 83.911 -0.241 8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.276 -1.562 7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.555 -1.155 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.562 -3.548 9.155 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.272 -2.745 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.422 -5.869 9.301 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.162 -5.054 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.138 -6.656 7.690 1.00 0.00 H new ATOM 939 N SER A 64 82.133 1.529 8.388 1.00 0.00 N ATOM 940 CA SER A 64 81.232 2.624 8.740 1.00 0.00 C ATOM 941 C SER A 64 80.827 3.392 7.486 1.00 0.00 C ATOM 942 O SER A 64 81.680 3.719 6.662 1.00 0.00 O ATOM 943 CB SER A 64 81.913 3.552 9.750 1.00 0.00 C ATOM 944 OG SER A 64 80.956 3.986 10.704 1.00 0.00 O ATOM 0 H SER A 64 82.782 1.736 7.629 1.00 0.00 H new ATOM 0 HA SER A 64 80.330 2.216 9.197 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.730 3.030 10.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.348 4.410 9.238 1.00 0.00 H new ATOM 0 HG SER A 64 81.388 4.579 11.354 1.00 0.00 H new ATOM 950 N GLY A 65 79.529 3.639 7.329 1.00 0.00 N ATOM 951 CA GLY A 65 79.014 4.354 6.166 1.00 0.00 C ATOM 952 C GLY A 65 78.764 5.819 6.507 1.00 0.00 C ATOM 953 O GLY A 65 78.208 6.125 7.562 1.00 0.00 O ATOM 0 H GLY A 65 78.812 3.353 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.725 4.282 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.088 3.890 5.827 1.00 0.00 H new ATOM 957 N SER A 66 79.079 6.713 5.574 1.00 0.00 N ATOM 958 CA SER A 66 78.826 8.139 5.764 1.00 0.00 C ATOM 959 C SER A 66 78.208 8.731 4.503 1.00 0.00 C ATOM 960 O SER A 66 78.489 8.282 3.392 1.00 0.00 O ATOM 961 CB SER A 66 80.139 8.863 6.087 1.00 0.00 C ATOM 962 OG SER A 66 80.652 9.492 4.920 1.00 0.00 O ATOM 0 H SER A 66 79.509 6.476 4.680 1.00 0.00 H new ATOM 0 HA SER A 66 78.132 8.268 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.971 9.607 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.868 8.153 6.477 1.00 0.00 H new ATOM 0 HG SER A 66 80.832 8.814 4.235 1.00 0.00 H new ATOM 968 N ILE A 67 77.397 9.770 4.678 1.00 0.00 N ATOM 969 CA ILE A 67 76.737 10.428 3.556 1.00 0.00 C ATOM 970 C ILE A 67 77.000 11.929 3.581 1.00 0.00 C ATOM 971 O ILE A 67 77.061 12.545 4.644 1.00 0.00 O ATOM 972 CB ILE A 67 75.231 10.158 3.614 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.679 10.666 4.951 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.945 8.659 3.431 1.00 0.00 C ATOM 975 CD1 ILE A 67 73.165 10.452 5.011 1.00 0.00 C ATOM 0 H ILE A 67 77.181 10.175 5.589 1.00 0.00 H new ATOM 0 HA ILE A 67 77.141 10.025 2.627 1.00 0.00 H new ATOM 0 HB ILE A 67 74.734 10.689 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 67 75.161 10.141 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.909 11.725 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.870 8.486 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.326 8.331 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.436 8.095 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.784 10.816 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.688 10.998 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.944 9.389 4.914 1.00 0.00 H new ATOM 987 N ASP A 68 77.236 12.492 2.401 1.00 0.00 N ATOM 988 CA ASP A 68 77.471 13.925 2.256 1.00 0.00 C ATOM 989 C ASP A 68 76.442 14.525 1.306 1.00 0.00 C ATOM 990 O ASP A 68 76.770 14.864 0.169 1.00 0.00 O ATOM 991 CB ASP A 68 78.885 14.161 1.715 1.00 0.00 C ATOM 992 CG ASP A 68 79.900 14.219 2.853 1.00 0.00 C ATOM 993 OD1 ASP A 68 80.285 13.170 3.342 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.245 15.320 3.248 1.00 0.00 O ATOM 0 H ASP A 68 77.270 11.973 1.524 1.00 0.00 H new ATOM 0 HA ASP A 68 77.375 14.407 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.153 13.362 1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.912 15.093 1.150 1.00 0.00 H new ATOM 999 N SER A 69 75.285 14.880 1.856 1.00 0.00 N ATOM 1000 CA SER A 69 74.243 15.522 1.064 1.00 0.00 C ATOM 1001 C SER A 69 74.824 16.721 0.324 1.00 0.00 C ATOM 1002 O SER A 69 74.382 17.071 -0.770 1.00 0.00 O ATOM 1003 CB SER A 69 73.108 15.989 1.977 1.00 0.00 C ATOM 1004 OG SER A 69 73.415 17.278 2.488 1.00 0.00 O ATOM 0 H SER A 69 75.047 14.736 2.837 1.00 0.00 H new ATOM 0 HA SER A 69 73.853 14.804 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.170 16.019 1.423 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.972 15.283 2.797 1.00 0.00 H new ATOM 0 HG SER A 69 72.688 17.580 3.072 1.00 0.00 H new ATOM 1010 N SER A 70 75.828 17.338 0.938 1.00 0.00 N ATOM 1011 CA SER A 70 76.504 18.480 0.337 1.00 0.00 C ATOM 1012 C SER A 70 77.378 18.045 -0.833 1.00 0.00 C ATOM 1013 O SER A 70 77.317 18.625 -1.916 1.00 0.00 O ATOM 1014 CB SER A 70 77.411 19.110 1.391 1.00 0.00 C ATOM 1015 OG SER A 70 76.652 19.428 2.548 1.00 0.00 O ATOM 0 H SER A 70 76.191 17.066 1.852 1.00 0.00 H new ATOM 0 HA SER A 70 75.751 19.182 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.216 18.422 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.878 20.010 0.992 1.00 0.00 H new ATOM 0 HG SER A 70 77.238 19.830 3.223 1.00 0.00 H new ATOM 1021 N SER A 71 78.223 17.049 -0.590 1.00 0.00 N ATOM 1022 CA SER A 71 79.153 16.600 -1.618 1.00 0.00 C ATOM 1023 C SER A 71 78.431 15.688 -2.602 1.00 0.00 C ATOM 1024 O SER A 71 78.963 15.375 -3.667 1.00 0.00 O ATOM 1025 CB SER A 71 80.328 15.847 -0.987 1.00 0.00 C ATOM 1026 OG SER A 71 81.454 15.921 -1.851 1.00 0.00 O ATOM 0 H SER A 71 78.283 16.545 0.295 1.00 0.00 H new ATOM 0 HA SER A 71 79.538 17.473 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.572 16.278 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.056 14.806 -0.814 1.00 0.00 H new ATOM 0 HG SER A 71 82.207 15.441 -1.448 1.00 0.00 H new ATOM 1032 N ASN A 72 77.187 15.338 -2.285 1.00 0.00 N ATOM 1033 CA ASN A 72 76.423 14.499 -3.200 1.00 0.00 C ATOM 1034 C ASN A 72 77.141 13.172 -3.424 1.00 0.00 C ATOM 1035 O ASN A 72 77.185 12.662 -4.544 1.00 0.00 O ATOM 1036 CB ASN A 72 76.211 15.209 -4.539 1.00 0.00 C ATOM 1037 CG ASN A 72 75.114 14.507 -5.334 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.912 13.229 -5.162 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 74.394 15.146 -6.100 1.00 0.00 N flip ATOM 0 H ASN A 72 76.701 15.612 -1.431 1.00 0.00 H new ATOM 0 HA ASN A 72 75.448 14.306 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.938 16.250 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.140 15.212 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.552 16.145 -6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 72 73.639 14.677 -6.601 1.00 0.00 H new ATOM 1046 N SER A 73 77.751 12.643 -2.365 1.00 0.00 N ATOM 1047 CA SER A 73 78.473 11.379 -2.471 1.00 0.00 C ATOM 1048 C SER A 73 78.567 10.698 -1.108 1.00 0.00 C ATOM 1049 O SER A 73 78.338 11.330 -0.076 1.00 0.00 O ATOM 1050 CB SER A 73 79.878 11.638 -3.015 1.00 0.00 C ATOM 1051 OG SER A 73 80.586 12.476 -2.113 1.00 0.00 O ATOM 0 H SER A 73 77.760 13.064 -1.436 1.00 0.00 H new ATOM 0 HA SER A 73 77.931 10.722 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.409 10.695 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.819 12.109 -3.996 1.00 0.00 H new ATOM 0 HG SER A 73 81.488 12.642 -2.459 1.00 0.00 H new ATOM 1057 N ALA A 74 78.841 9.395 -1.109 1.00 0.00 N ATOM 1058 CA ALA A 74 78.871 8.623 0.131 1.00 0.00 C ATOM 1059 C ALA A 74 80.294 8.151 0.408 1.00 0.00 C ATOM 1060 O ALA A 74 81.000 7.701 -0.495 1.00 0.00 O ATOM 1061 CB ALA A 74 77.944 7.411 0.011 1.00 0.00 C ATOM 0 H ALA A 74 79.044 8.854 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 74 78.533 9.254 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.971 6.839 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.925 7.749 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.275 6.780 -0.814 1.00 0.00 H new ATOM 1067 N SER A 75 80.730 8.329 1.651 1.00 0.00 N ATOM 1068 CA SER A 75 82.080 7.952 2.055 1.00 0.00 C ATOM 1069 C SER A 75 82.032 7.018 3.259 1.00 0.00 C ATOM 1070 O SER A 75 81.464 7.370 4.293 1.00 0.00 O ATOM 1071 CB SER A 75 82.886 9.202 2.415 1.00 0.00 C ATOM 1072 OG SER A 75 82.972 10.057 1.284 1.00 0.00 O ATOM 0 H SER A 75 80.166 8.733 2.398 1.00 0.00 H new ATOM 0 HA SER A 75 82.559 7.437 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.411 9.726 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.885 8.919 2.746 1.00 0.00 H new ATOM 0 HG SER A 75 83.487 10.857 1.517 1.00 0.00 H new ATOM 1078 N LEU A 76 82.561 5.806 3.107 1.00 0.00 N ATOM 1079 CA LEU A 76 82.577 4.842 4.205 1.00 0.00 C ATOM 1080 C LEU A 76 83.917 4.906 4.935 1.00 0.00 C ATOM 1081 O LEU A 76 84.962 5.052 4.304 1.00 0.00 O ATOM 1082 CB LEU A 76 82.260 3.437 3.667 1.00 0.00 C ATOM 1083 CG LEU A 76 83.150 2.337 4.267 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.534 0.959 3.995 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.577 2.401 3.699 1.00 0.00 C ATOM 0 H LEU A 76 82.981 5.470 2.241 1.00 0.00 H new ATOM 0 HA LEU A 76 81.805 5.090 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.216 3.203 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.376 3.437 2.583 1.00 0.00 H new ATOM 0 HG LEU A 76 83.210 2.499 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.171 0.185 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.544 0.907 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.449 0.804 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.181 1.610 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.544 2.269 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.019 3.370 3.933 1.00 0.00 H new ATOM 1097 N THR A 77 83.877 4.851 6.265 1.00 0.00 N ATOM 1098 CA THR A 77 85.092 4.800 7.076 1.00 0.00 C ATOM 1099 C THR A 77 85.245 3.428 7.727 1.00 0.00 C ATOM 1100 O THR A 77 84.361 2.966 8.449 1.00 0.00 O ATOM 1101 CB THR A 77 85.039 5.880 8.161 1.00 0.00 C ATOM 1102 OG1 THR A 77 85.077 7.160 7.548 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.225 5.748 9.122 1.00 0.00 C ATOM 0 H THR A 77 83.012 4.841 6.806 1.00 0.00 H new ATOM 0 HA THR A 77 85.949 4.978 6.427 1.00 0.00 H new ATOM 0 HB THR A 77 84.116 5.758 8.728 1.00 0.00 H new ATOM 0 HG1 THR A 77 85.042 7.855 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.165 6.526 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.198 4.769 9.601 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.157 5.855 8.567 1.00 0.00 H new ATOM 1111 N ILE A 78 86.369 2.772 7.448 1.00 0.00 N ATOM 1112 CA ILE A 78 86.646 1.440 7.977 1.00 0.00 C ATOM 1113 C ILE A 78 87.734 1.522 9.045 1.00 0.00 C ATOM 1114 O ILE A 78 88.808 2.071 8.802 1.00 0.00 O ATOM 1115 CB ILE A 78 87.074 0.541 6.811 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.853 -0.083 6.126 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.015 -0.577 7.275 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.207 -0.599 4.728 1.00 0.00 C ATOM 0 H ILE A 78 87.108 3.146 6.853 1.00 0.00 H new ATOM 0 HA ILE A 78 85.757 1.019 8.446 1.00 0.00 H new ATOM 0 HB ILE A 78 87.606 1.174 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.471 -0.903 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.056 0.657 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.297 -1.193 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.910 -0.139 7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.508 -1.195 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.322 -1.036 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.565 0.228 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.987 -1.357 4.806 1.00 0.00 H new ATOM 1130 N SER A 79 87.526 0.801 10.144 1.00 0.00 N ATOM 1131 CA SER A 79 88.485 0.775 11.245 1.00 0.00 C ATOM 1132 C SER A 79 89.142 -0.598 11.353 1.00 0.00 C ATOM 1133 O SER A 79 88.554 -1.610 10.975 1.00 0.00 O ATOM 1134 CB SER A 79 87.777 1.114 12.560 1.00 0.00 C ATOM 1135 OG SER A 79 86.824 2.142 12.333 1.00 0.00 O ATOM 0 H SER A 79 86.698 0.225 10.296 1.00 0.00 H new ATOM 0 HA SER A 79 89.258 1.517 11.048 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.284 0.228 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.505 1.436 13.305 1.00 0.00 H new ATOM 0 HG SER A 79 86.369 2.358 13.174 1.00 0.00 H new ATOM 1141 N GLY A 80 90.373 -0.624 11.855 1.00 0.00 N ATOM 1142 CA GLY A 80 91.096 -1.877 12.045 1.00 0.00 C ATOM 1143 C GLY A 80 90.890 -2.828 10.870 1.00 0.00 C ATOM 1144 O GLY A 80 90.168 -3.818 10.984 1.00 0.00 O ATOM 0 H GLY A 80 90.891 0.208 12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.159 -1.670 12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.760 -2.356 12.965 1.00 0.00 H new ATOM 1148 N LEU A 81 91.432 -2.462 9.712 1.00 0.00 N ATOM 1149 CA LEU A 81 91.318 -3.294 8.520 1.00 0.00 C ATOM 1150 C LEU A 81 92.341 -4.426 8.546 1.00 0.00 C ATOM 1151 O LEU A 81 93.500 -4.215 8.902 1.00 0.00 O ATOM 1152 CB LEU A 81 91.502 -2.438 7.262 1.00 0.00 C ATOM 1153 CG LEU A 81 92.973 -2.027 7.082 1.00 0.00 C ATOM 1154 CD1 LEU A 81 93.663 -2.929 6.052 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.104 -0.582 6.593 1.00 0.00 C ATOM 0 H LEU A 81 91.953 -1.596 9.575 1.00 0.00 H new ATOM 0 HA LEU A 81 90.323 -3.738 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.167 -2.995 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.878 -1.547 7.330 1.00 0.00 H new ATOM 0 HG LEU A 81 93.444 -2.126 8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.703 -2.622 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.625 -3.964 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.153 -2.843 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.158 -0.331 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.599 -0.476 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 92.648 0.091 7.319 1.00 0.00 H new ATOM 1167 N LYS A 82 91.951 -5.587 8.029 1.00 0.00 N ATOM 1168 CA LYS A 82 92.866 -6.720 7.924 1.00 0.00 C ATOM 1169 C LYS A 82 92.535 -7.567 6.699 1.00 0.00 C ATOM 1170 O LYS A 82 91.546 -7.318 6.010 1.00 0.00 O ATOM 1171 CB LYS A 82 92.777 -7.586 9.184 1.00 0.00 C ATOM 1172 CG LYS A 82 93.073 -6.745 10.429 1.00 0.00 C ATOM 1173 CD LYS A 82 93.492 -7.646 11.593 1.00 0.00 C ATOM 1174 CE LYS A 82 92.330 -8.553 12.003 1.00 0.00 C ATOM 1175 NZ LYS A 82 92.703 -9.297 13.239 1.00 0.00 N ATOM 0 H LYS A 82 91.011 -5.768 7.677 1.00 0.00 H new ATOM 0 HA LYS A 82 93.880 -6.333 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.783 -8.026 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.486 -8.411 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.865 -6.028 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.190 -6.170 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.351 -8.251 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.804 -7.036 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 82 91.433 -7.959 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.097 -9.252 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 91.916 -9.916 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.548 -9.874 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 92.905 -8.621 14.003 1.00 0.00 H new ATOM 1189 N THR A 83 93.395 -8.538 6.404 1.00 0.00 N ATOM 1190 CA THR A 83 93.197 -9.400 5.243 1.00 0.00 C ATOM 1191 C THR A 83 91.756 -9.884 5.167 1.00 0.00 C ATOM 1192 O THR A 83 91.227 -10.157 4.089 1.00 0.00 O ATOM 1193 CB THR A 83 94.142 -10.602 5.332 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.057 -11.164 6.633 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.582 -10.145 5.079 1.00 0.00 C ATOM 0 H THR A 83 94.231 -8.747 6.950 1.00 0.00 H new ATOM 0 HA THR A 83 93.415 -8.826 4.342 1.00 0.00 H new ATOM 0 HB THR A 83 93.858 -11.343 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.658 -11.935 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.252 -11.002 5.143 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.654 -9.701 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.866 -9.406 5.828 1.00 0.00 H new ATOM 1203 N GLU A 84 91.144 -10.003 6.337 1.00 0.00 N ATOM 1204 CA GLU A 84 89.744 -10.403 6.408 1.00 0.00 C ATOM 1205 C GLU A 84 88.884 -9.468 5.566 1.00 0.00 C ATOM 1206 O GLU A 84 87.682 -9.684 5.407 1.00 0.00 O ATOM 1207 CB GLU A 84 89.262 -10.389 7.859 1.00 0.00 C ATOM 1208 CG GLU A 84 89.984 -11.491 8.638 1.00 0.00 C ATOM 1209 CD GLU A 84 89.617 -11.414 10.116 1.00 0.00 C ATOM 1210 OE1 GLU A 84 88.805 -10.572 10.462 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.150 -12.201 10.879 1.00 0.00 O ATOM 0 H GLU A 84 91.587 -9.831 7.240 1.00 0.00 H new ATOM 0 HA GLU A 84 89.653 -11.416 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.460 -9.417 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.184 -10.545 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 89.712 -12.468 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 84 91.062 -11.386 8.517 1.00 0.00 H new ATOM 1218 N ASP A 85 89.511 -8.432 5.015 1.00 0.00 N ATOM 1219 CA ASP A 85 88.814 -7.460 4.179 1.00 0.00 C ATOM 1220 C ASP A 85 89.267 -7.615 2.731 1.00 0.00 C ATOM 1221 O ASP A 85 88.517 -7.316 1.801 1.00 0.00 O ATOM 1222 CB ASP A 85 89.105 -6.035 4.663 1.00 0.00 C ATOM 1223 CG ASP A 85 89.245 -5.998 6.181 1.00 0.00 C ATOM 1224 OD1 ASP A 85 89.029 -7.016 6.816 1.00 0.00 O ATOM 1225 OD2 ASP A 85 89.573 -4.940 6.689 1.00 0.00 O ATOM 0 H ASP A 85 90.506 -8.244 5.134 1.00 0.00 H new ATOM 0 HA ASP A 85 87.741 -7.640 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.021 -5.668 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.301 -5.369 4.351 1.00 0.00 H new ATOM 1230 N GLU A 86 90.508 -8.057 2.546 1.00 0.00 N ATOM 1231 CA GLU A 86 91.062 -8.204 1.206 1.00 0.00 C ATOM 1232 C GLU A 86 90.030 -8.795 0.251 1.00 0.00 C ATOM 1233 O GLU A 86 89.815 -10.007 0.226 1.00 0.00 O ATOM 1234 CB GLU A 86 92.283 -9.124 1.258 1.00 0.00 C ATOM 1235 CG GLU A 86 93.083 -9.003 -0.039 1.00 0.00 C ATOM 1236 CD GLU A 86 94.400 -9.759 0.094 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.542 -10.500 1.054 1.00 0.00 O ATOM 1238 OE2 GLU A 86 95.268 -9.546 -0.737 1.00 0.00 O ATOM 0 H GLU A 86 91.143 -8.317 3.301 1.00 0.00 H new ATOM 0 HA GLU A 86 91.349 -7.217 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.911 -8.860 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.965 -10.156 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.505 -9.404 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.276 -7.954 -0.261 1.00 0.00 H new ATOM 1245 N ALA A 87 89.336 -7.925 -0.477 1.00 0.00 N ATOM 1246 CA ALA A 87 88.285 -8.376 -1.382 1.00 0.00 C ATOM 1247 C ALA A 87 87.688 -7.186 -2.125 1.00 0.00 C ATOM 1248 O ALA A 87 88.102 -6.043 -1.928 1.00 0.00 O ATOM 1249 CB ALA A 87 87.214 -9.122 -0.577 1.00 0.00 C ATOM 0 H ALA A 87 89.480 -6.915 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 87 88.702 -9.057 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.425 -9.462 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.664 -9.982 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.790 -8.453 0.172 1.00 0.00 H new ATOM 1255 N ASP A 88 86.698 -7.464 -2.967 1.00 0.00 N ATOM 1256 CA ASP A 88 86.056 -6.415 -3.748 1.00 0.00 C ATOM 1257 C ASP A 88 84.890 -5.811 -2.971 1.00 0.00 C ATOM 1258 O ASP A 88 84.150 -6.522 -2.292 1.00 0.00 O ATOM 1259 CB ASP A 88 85.560 -6.989 -5.077 1.00 0.00 C ATOM 1260 CG ASP A 88 86.745 -7.418 -5.936 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.384 -6.547 -6.502 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.944 -8.613 -6.083 1.00 0.00 O ATOM 0 H ASP A 88 86.325 -8.400 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 88 86.784 -5.629 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.907 -7.842 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.968 -6.242 -5.606 1.00 0.00 H new ATOM 1267 N TYR A 89 84.696 -4.506 -3.138 1.00 0.00 N ATOM 1268 CA TYR A 89 83.654 -3.767 -2.430 1.00 0.00 C ATOM 1269 C TYR A 89 82.623 -3.244 -3.427 1.00 0.00 C ATOM 1270 O TYR A 89 82.976 -2.723 -4.485 1.00 0.00 O ATOM 1271 CB TYR A 89 84.285 -2.607 -1.646 1.00 0.00 C ATOM 1272 CG TYR A 89 84.426 -2.949 -0.180 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.527 -3.685 0.274 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.413 -2.587 0.715 1.00 0.00 C ATOM 1275 CE1 TYR A 89 85.664 -3.972 1.637 1.00 0.00 C ATOM 1276 CE2 TYR A 89 83.513 -2.937 2.067 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.657 -3.594 2.533 1.00 0.00 C ATOM 1278 OH TYR A 89 84.745 -3.963 3.860 1.00 0.00 O ATOM 0 H TYR A 89 85.256 -3.931 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 89 83.151 -4.431 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.265 -2.373 -2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.670 -1.714 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.271 -4.032 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.553 -2.037 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 89 86.544 -4.484 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 89 82.709 -2.700 2.748 1.00 0.00 H new ATOM 0 HH TYR A 89 84.049 -3.503 4.374 1.00 0.00 H new ATOM 1288 N TYR A 90 81.346 -3.417 -3.095 1.00 0.00 N ATOM 1289 CA TYR A 90 80.248 -2.941 -3.932 1.00 0.00 C ATOM 1290 C TYR A 90 79.395 -1.937 -3.155 1.00 0.00 C ATOM 1291 O TYR A 90 79.172 -2.113 -1.958 1.00 0.00 O ATOM 1292 CB TYR A 90 79.428 -4.149 -4.407 1.00 0.00 C ATOM 1293 CG TYR A 90 79.837 -4.579 -5.801 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.171 -4.909 -6.076 1.00 0.00 C ATOM 1295 CD2 TYR A 90 78.896 -4.586 -6.838 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.565 -5.227 -7.382 1.00 0.00 C ATOM 1297 CE2 TYR A 90 79.286 -4.913 -8.143 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.624 -5.221 -8.418 1.00 0.00 C ATOM 1299 OH TYR A 90 80.999 -5.569 -9.700 1.00 0.00 O ATOM 0 H TYR A 90 81.044 -3.889 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 90 80.634 -2.422 -4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.564 -4.979 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.367 -3.897 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.898 -4.918 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.865 -4.338 -6.631 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.595 -5.477 -7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 90 78.554 -4.928 -8.937 1.00 0.00 H new ATOM 0 HH TYR A 90 80.222 -5.512 -10.295 1.00 0.00 H new ATOM 1309 N CYS A 91 78.767 -1.013 -3.882 1.00 0.00 N ATOM 1310 CA CYS A 91 77.940 0.043 -3.297 1.00 0.00 C ATOM 1311 C CYS A 91 76.518 -0.169 -3.822 1.00 0.00 C ATOM 1312 O CYS A 91 76.333 -0.737 -4.899 1.00 0.00 O ATOM 1313 CB CYS A 91 78.403 1.452 -3.724 1.00 0.00 C ATOM 1314 SG CYS A 91 79.925 2.070 -2.941 1.00 0.00 S ATOM 0 H CYS A 91 78.818 -0.976 -4.900 1.00 0.00 H new ATOM 0 HA CYS A 91 78.008 -0.013 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.549 1.452 -4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.598 2.156 -3.512 1.00 0.00 H new ATOM 1319 N GLN A 92 75.502 0.205 -3.048 1.00 0.00 N ATOM 1320 CA GLN A 92 74.116 0.127 -3.508 1.00 0.00 C ATOM 1321 C GLN A 92 73.366 1.410 -3.169 1.00 0.00 C ATOM 1322 O GLN A 92 73.207 1.759 -2.000 1.00 0.00 O ATOM 1323 CB GLN A 92 73.389 -1.052 -2.857 1.00 0.00 C ATOM 1324 CG GLN A 92 74.085 -2.356 -3.248 1.00 0.00 C ATOM 1325 CD GLN A 92 73.251 -3.557 -2.812 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.110 -3.363 -2.208 1.00 0.00 O flip ATOM 1327 NE2 GLN A 92 73.612 -4.700 -3.094 1.00 0.00 N flip ATOM 0 H GLN A 92 75.611 0.565 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 92 74.138 -0.013 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.387 -0.939 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.347 -1.073 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.238 -2.384 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.071 -2.402 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.503 -4.851 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.020 -5.495 -2.856 1.00 0.00 H new ATOM 1336 N SER A 93 72.800 2.040 -4.194 1.00 0.00 N ATOM 1337 CA SER A 93 72.056 3.283 -4.021 1.00 0.00 C ATOM 1338 C SER A 93 70.594 3.087 -4.411 1.00 0.00 C ATOM 1339 O SER A 93 70.259 2.168 -5.158 1.00 0.00 O ATOM 1340 CB SER A 93 72.689 4.374 -4.888 1.00 0.00 C ATOM 1341 OG SER A 93 72.676 3.973 -6.250 1.00 0.00 O ATOM 0 H SER A 93 72.843 1.708 -5.157 1.00 0.00 H new ATOM 0 HA SER A 93 72.095 3.581 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.142 5.309 -4.769 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.713 4.561 -4.564 1.00 0.00 H new ATOM 0 HG SER A 93 73.022 4.700 -6.808 1.00 0.00 H new ATOM 1347 N TYR A 94 69.722 3.932 -3.868 1.00 0.00 N ATOM 1348 CA TYR A 94 68.293 3.859 -4.159 1.00 0.00 C ATOM 1349 C TYR A 94 67.854 5.142 -4.857 1.00 0.00 C ATOM 1350 O TYR A 94 68.300 6.239 -4.519 1.00 0.00 O ATOM 1351 CB TYR A 94 67.501 3.678 -2.857 1.00 0.00 C ATOM 1352 CG TYR A 94 67.252 2.214 -2.583 1.00 0.00 C ATOM 1353 CD1 TYR A 94 66.145 1.585 -3.166 1.00 0.00 C ATOM 1354 CD2 TYR A 94 68.139 1.478 -1.788 1.00 0.00 C ATOM 1355 CE1 TYR A 94 65.911 0.224 -2.935 1.00 0.00 C ATOM 1356 CE2 TYR A 94 67.891 0.123 -1.539 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.794 -0.510 -2.134 1.00 0.00 C ATOM 1358 OH TYR A 94 66.557 -1.848 -1.894 1.00 0.00 O ATOM 0 H TYR A 94 69.981 4.678 -3.222 1.00 0.00 H new ATOM 0 HA TYR A 94 68.100 3.006 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 94 68.051 4.120 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.550 4.207 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.472 2.150 -3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 94 69.012 1.955 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.051 -0.259 -3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 94 68.547 -0.434 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 94 67.265 -2.208 -1.321 1.00 0.00 H new ATOM 1368 N ASP A 95 66.965 4.987 -5.833 1.00 0.00 N ATOM 1369 CA ASP A 95 66.459 6.123 -6.593 1.00 0.00 C ATOM 1370 C ASP A 95 65.130 6.598 -6.016 1.00 0.00 C ATOM 1371 O ASP A 95 64.530 5.928 -5.175 1.00 0.00 O ATOM 1372 CB ASP A 95 66.268 5.713 -8.054 1.00 0.00 C ATOM 1373 CG ASP A 95 67.628 5.548 -8.726 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.626 5.758 -8.056 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.652 5.110 -9.865 1.00 0.00 O ATOM 0 H ASP A 95 66.581 4.086 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 95 67.179 6.939 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.709 4.779 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.682 6.467 -8.579 1.00 0.00 H new ATOM 1380 N SER A 96 64.675 7.754 -6.485 1.00 0.00 N ATOM 1381 CA SER A 96 63.426 8.327 -6.000 1.00 0.00 C ATOM 1382 C SER A 96 62.248 7.425 -6.354 1.00 0.00 C ATOM 1383 O SER A 96 61.094 7.779 -6.114 1.00 0.00 O ATOM 1384 CB SER A 96 63.220 9.716 -6.608 1.00 0.00 C ATOM 1385 OG SER A 96 63.150 9.612 -8.023 1.00 0.00 O ATOM 0 H SER A 96 65.149 8.310 -7.197 1.00 0.00 H new ATOM 0 HA SER A 96 63.482 8.414 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.304 10.161 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 96 64.040 10.374 -6.322 1.00 0.00 H new ATOM 0 HG SER A 96 63.016 10.502 -8.410 1.00 0.00 H new ATOM 1391 N SER A 97 62.535 6.297 -7.000 1.00 0.00 N ATOM 1392 CA SER A 97 61.496 5.359 -7.416 1.00 0.00 C ATOM 1393 C SER A 97 61.589 4.063 -6.618 1.00 0.00 C ATOM 1394 O SER A 97 60.960 3.064 -6.968 1.00 0.00 O ATOM 1395 CB SER A 97 61.655 5.045 -8.906 1.00 0.00 C ATOM 1396 OG SER A 97 62.581 3.980 -9.069 1.00 0.00 O ATOM 0 H SER A 97 63.482 6.010 -7.247 1.00 0.00 H new ATOM 0 HA SER A 97 60.524 5.817 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.691 4.772 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 97 62.003 5.929 -9.440 1.00 0.00 H new ATOM 0 HG SER A 97 62.682 3.777 -10.022 1.00 0.00 H new ATOM 1402 N ASN A 98 62.388 4.081 -5.556 1.00 0.00 N ATOM 1403 CA ASN A 98 62.539 2.905 -4.706 1.00 0.00 C ATOM 1404 C ASN A 98 63.142 1.746 -5.493 1.00 0.00 C ATOM 1405 O ASN A 98 62.908 0.581 -5.169 1.00 0.00 O ATOM 1406 CB ASN A 98 61.176 2.489 -4.147 1.00 0.00 C ATOM 1407 CG ASN A 98 60.341 3.728 -3.846 1.00 0.00 C ATOM 1408 OD1 ASN A 98 59.744 4.304 -4.755 1.00 0.00 O ATOM 1409 ND2 ASN A 98 60.206 4.134 -2.613 1.00 0.00 N ATOM 0 H ASN A 98 62.937 4.890 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 98 63.209 3.158 -3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.656 1.855 -4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 98 61.309 1.900 -3.240 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.605 4.930 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 98 60.702 3.655 -1.861 1.00 0.00 H new ATOM 1416 N HIS A 99 63.945 2.065 -6.503 1.00 0.00 N ATOM 1417 CA HIS A 99 64.576 1.038 -7.326 1.00 0.00 C ATOM 1418 C HIS A 99 66.036 0.877 -6.917 1.00 0.00 C ATOM 1419 O HIS A 99 66.839 1.798 -7.066 1.00 0.00 O ATOM 1420 CB HIS A 99 64.500 1.435 -8.802 1.00 0.00 C ATOM 1421 CG HIS A 99 64.869 0.260 -9.667 1.00 0.00 C ATOM 1422 ND1 HIS A 99 66.102 -0.367 -9.578 1.00 0.00 N ATOM 1423 CD2 HIS A 99 64.155 -0.450 -10.603 1.00 0.00 C ATOM 1424 CE1 HIS A 99 66.107 -1.380 -10.461 1.00 0.00 C ATOM 1425 NE2 HIS A 99 64.945 -1.480 -11.111 1.00 0.00 N ATOM 0 H HIS A 99 64.174 3.022 -6.771 1.00 0.00 H new ATOM 0 HA HIS A 99 64.052 0.093 -7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.493 1.775 -9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.174 2.269 -8.999 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.138 -0.242 -10.899 1.00 0.00 H new ATOM 0 HE1 HIS A 99 66.950 -2.035 -10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 99 64.690 -2.163 -11.825 1.00 0.00 H new ATOM 1433 N VAL A 100 66.376 -0.307 -6.419 1.00 0.00 N ATOM 1434 CA VAL A 100 67.737 -0.572 -5.967 1.00 0.00 C ATOM 1435 C VAL A 100 68.714 -0.448 -7.131 1.00 0.00 C ATOM 1436 O VAL A 100 68.533 -1.076 -8.174 1.00 0.00 O ATOM 1437 CB VAL A 100 67.810 -1.981 -5.367 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.154 -2.998 -6.313 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.272 -2.350 -5.098 1.00 0.00 C ATOM 0 H VAL A 100 65.734 -1.093 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 100 68.010 0.160 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 100 67.265 -1.999 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.213 -3.994 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.108 -2.731 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.674 -2.992 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.322 -3.352 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.831 -2.325 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.705 -1.636 -4.398 1.00 0.00 H new ATOM 1449 N VAL A 101 69.748 0.367 -6.945 1.00 0.00 N ATOM 1450 CA VAL A 101 70.767 0.569 -7.971 1.00 0.00 C ATOM 1451 C VAL A 101 72.108 0.032 -7.482 1.00 0.00 C ATOM 1452 O VAL A 101 72.327 -0.116 -6.280 1.00 0.00 O ATOM 1453 CB VAL A 101 70.892 2.063 -8.283 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.088 2.302 -9.206 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.616 2.555 -8.968 1.00 0.00 C ATOM 0 H VAL A 101 69.903 0.901 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 101 70.477 0.034 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 101 71.039 2.610 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.172 3.367 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.000 1.959 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 101 71.946 1.751 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.708 3.618 -9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.466 2.004 -9.896 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.764 2.394 -8.308 1.00 0.00 H new ATOM 1465 N PHE A 102 72.951 -0.383 -8.424 1.00 0.00 N ATOM 1466 CA PHE A 102 74.252 -0.958 -8.094 1.00 0.00 C ATOM 1467 C PHE A 102 75.379 -0.113 -8.678 1.00 0.00 C ATOM 1468 O PHE A 102 75.200 0.573 -9.684 1.00 0.00 O ATOM 1469 CB PHE A 102 74.346 -2.375 -8.659 1.00 0.00 C ATOM 1470 CG PHE A 102 73.227 -3.211 -8.085 1.00 0.00 C ATOM 1471 CD1 PHE A 102 73.378 -3.818 -6.832 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.023 -3.343 -8.788 1.00 0.00 C ATOM 1473 CE1 PHE A 102 72.323 -4.559 -6.282 1.00 0.00 C ATOM 1474 CE2 PHE A 102 70.972 -4.089 -8.239 1.00 0.00 C ATOM 1475 CZ PHE A 102 71.137 -4.732 -7.007 1.00 0.00 C ATOM 0 H PHE A 102 72.756 -0.332 -9.424 1.00 0.00 H new ATOM 0 HA PHE A 102 74.352 -0.981 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.278 -2.351 -9.747 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.311 -2.816 -8.409 1.00 0.00 H new ATOM 0 HD1 PHE A 102 74.306 -3.715 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 102 71.905 -2.870 -9.752 1.00 0.00 H new ATOM 0 HE1 PHE A 102 72.424 -4.996 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 102 70.033 -4.168 -8.767 1.00 0.00 H new ATOM 0 HZ PHE A 102 70.351 -5.361 -6.616 1.00 0.00 H new ATOM 1485 N GLY A 103 76.528 -0.132 -8.009 1.00 0.00 N ATOM 1486 CA GLY A 103 77.683 0.645 -8.450 1.00 0.00 C ATOM 1487 C GLY A 103 78.744 -0.245 -9.090 1.00 0.00 C ATOM 1488 O GLY A 103 78.595 -1.465 -9.158 1.00 0.00 O ATOM 0 H GLY A 103 76.685 -0.676 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.362 1.402 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.114 1.173 -7.599 1.00 0.00 H new ATOM 1492 N GLY A 104 79.774 0.397 -9.633 1.00 0.00 N ATOM 1493 CA GLY A 104 80.853 -0.316 -10.307 1.00 0.00 C ATOM 1494 C GLY A 104 81.656 -1.152 -9.315 1.00 0.00 C ATOM 1495 O GLY A 104 82.290 -2.140 -9.685 1.00 0.00 O ATOM 0 H GLY A 104 79.884 1.411 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.439 -0.962 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.511 0.397 -10.804 1.00 0.00 H new ATOM 1499 N GLY A 105 81.688 -0.696 -8.068 1.00 0.00 N ATOM 1500 CA GLY A 105 82.444 -1.384 -7.027 1.00 0.00 C ATOM 1501 C GLY A 105 83.905 -0.951 -7.022 1.00 0.00 C ATOM 1502 O GLY A 105 84.329 -0.154 -7.860 1.00 0.00 O ATOM 0 H GLY A 105 81.202 0.144 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.998 -1.176 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.383 -2.461 -7.182 1.00 0.00 H new ATOM 1506 N THR A 106 84.611 -1.332 -5.962 1.00 0.00 N ATOM 1507 CA THR A 106 86.016 -0.973 -5.794 1.00 0.00 C ATOM 1508 C THR A 106 86.802 -2.158 -5.241 1.00 0.00 C ATOM 1509 O THR A 106 86.371 -2.807 -4.288 1.00 0.00 O ATOM 1510 CB THR A 106 86.124 0.219 -4.841 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.249 1.247 -5.283 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.557 0.757 -4.826 1.00 0.00 C ATOM 0 H THR A 106 84.230 -1.894 -5.201 1.00 0.00 H new ATOM 0 HA THR A 106 86.435 -0.702 -6.763 1.00 0.00 H new ATOM 0 HB THR A 106 85.853 -0.103 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.312 2.014 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.620 1.605 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.237 -0.028 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.836 1.077 -5.830 1.00 0.00 H new ATOM 1520 N LYS A 107 87.966 -2.420 -5.828 1.00 0.00 N ATOM 1521 CA LYS A 107 88.840 -3.478 -5.331 1.00 0.00 C ATOM 1522 C LYS A 107 89.673 -2.959 -4.165 1.00 0.00 C ATOM 1523 O LYS A 107 90.496 -2.060 -4.337 1.00 0.00 O ATOM 1524 CB LYS A 107 89.738 -3.988 -6.461 1.00 0.00 C ATOM 1525 CG LYS A 107 90.850 -4.889 -5.914 1.00 0.00 C ATOM 1526 CD LYS A 107 91.631 -5.533 -7.068 1.00 0.00 C ATOM 1527 CE LYS A 107 93.102 -5.735 -6.693 1.00 0.00 C ATOM 1528 NZ LYS A 107 93.212 -6.796 -5.652 1.00 0.00 N ATOM 0 H LYS A 107 88.324 -1.919 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 107 88.233 -4.310 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.139 -4.541 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.177 -3.143 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.526 -4.305 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 107 90.420 -5.664 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 107 91.183 -6.493 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.562 -4.903 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 107 93.677 -6.016 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 107 93.524 -4.801 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.603 -6.387 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.270 -7.190 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.840 -7.552 -5.992 1.00 0.00 H new ATOM 1542 N LEU A 108 89.563 -3.621 -3.016 1.00 0.00 N ATOM 1543 CA LEU A 108 90.370 -3.289 -1.851 1.00 0.00 C ATOM 1544 C LEU A 108 91.425 -4.370 -1.644 1.00 0.00 C ATOM 1545 O LEU A 108 91.088 -5.521 -1.366 1.00 0.00 O ATOM 1546 CB LEU A 108 89.456 -3.194 -0.625 1.00 0.00 C ATOM 1547 CG LEU A 108 90.255 -2.995 0.667 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.063 -1.699 0.584 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.310 -2.927 1.871 1.00 0.00 C ATOM 0 H LEU A 108 88.917 -4.396 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 108 90.872 -2.333 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.761 -2.365 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.858 -4.102 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 108 90.932 -3.840 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.629 -1.563 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.751 -1.753 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.386 -0.856 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.891 -2.785 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.621 -2.091 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.744 -3.856 1.942 1.00 0.00 H new ATOM 1561 N THR A 109 92.682 -3.949 -1.539 1.00 0.00 N ATOM 1562 CA THR A 109 93.780 -4.882 -1.300 1.00 0.00 C ATOM 1563 C THR A 109 94.431 -4.588 0.048 1.00 0.00 C ATOM 1564 O THR A 109 94.570 -3.430 0.442 1.00 0.00 O ATOM 1565 CB THR A 109 94.838 -4.749 -2.398 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.257 -5.009 -3.668 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.967 -5.752 -2.149 1.00 0.00 C ATOM 0 H THR A 109 92.966 -2.972 -1.615 1.00 0.00 H new ATOM 0 HA THR A 109 93.376 -5.894 -1.303 1.00 0.00 H new ATOM 0 HB THR A 109 95.236 -3.734 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.940 -4.920 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.719 -5.655 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.424 -5.552 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.563 -6.764 -2.157 1.00 0.00 H new ATOM 1575 N VAL A 110 94.748 -5.647 0.788 1.00 0.00 N ATOM 1576 CA VAL A 110 95.338 -5.519 2.119 1.00 0.00 C ATOM 1577 C VAL A 110 96.724 -6.155 2.144 1.00 0.00 C ATOM 1578 O VAL A 110 96.887 -7.334 1.828 1.00 0.00 O ATOM 1579 CB VAL A 110 94.437 -6.203 3.152 1.00 0.00 C ATOM 1580 CG1 VAL A 110 94.988 -5.993 4.566 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.029 -5.611 3.049 1.00 0.00 C ATOM 0 H VAL A 110 94.605 -6.611 0.486 1.00 0.00 H new ATOM 0 HA VAL A 110 95.430 -4.461 2.364 1.00 0.00 H new ATOM 0 HB VAL A 110 94.406 -7.274 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.336 -6.485 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 110 95.990 -6.418 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.031 -4.926 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.378 -6.091 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.069 -4.540 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.635 -5.780 2.047 1.00 0.00 H new ATOM 1591 N LEU A 111 97.718 -5.362 2.528 1.00 0.00 N ATOM 1592 CA LEU A 111 99.099 -5.827 2.578 1.00 0.00 C ATOM 1593 C LEU A 111 99.408 -6.433 3.942 1.00 0.00 C ATOM 1594 O LEU A 111 99.981 -5.736 4.762 1.00 0.00 O ATOM 1595 CB LEU A 111 100.029 -4.639 2.320 1.00 0.00 C ATOM 1596 CG LEU A 111 99.707 -3.991 0.964 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.760 -2.465 1.069 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.709 -4.440 -0.103 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.043 -7.577 4.159 1.00 0.00 O ATOM 0 H LEU A 111 97.592 -4.390 2.810 1.00 0.00 H new ATOM 0 HA LEU A 111 99.249 -6.593 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 111 99.919 -3.903 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 111 101.067 -4.972 2.334 1.00 0.00 H new ATOM 0 HG LEU A 111 98.703 -4.306 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.529 -2.025 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.030 -2.125 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.758 -2.156 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.462 -3.969 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.715 -4.147 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.664 -5.524 -0.212 1.00 0.00 H new