USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=46 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 28 SER OG : rot 61:sc= 0.251 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.251 K(o=-0.00043,f=-3.3!) USER MOD Set 2.1: A 39 GLN : amide:sc=-0.00281 K(o=-0.0028,f=-1.3) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= -0.509 USER MOD Set 3.2: A 32 ASN :FLIP amide:sc= -1.72 F(o=-3.1,f=-2.2) USER MOD Set 4.1: A 23 THR OG1 : rot 180:sc= -0.618 USER MOD Set 4.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 6 GLN : amide:sc= -3.64! K(o=-3.1!,f=-5) USER MOD Set 5.2: A 106 THR OG1 : rot -92:sc= 0.556 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -172:sc= -0.839 USER MOD Single : A 8 HIS :FLIP no HD1:sc= 0.547 F(o=-2.6!,f=0.55) USER MOD Single : A 9 SER OG : rot -15:sc= 0.67 USER MOD Single : A 11 SER OG : rot 180:sc= -0.535 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0413) 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 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 25:sc= 0.805 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.73! C(o=-3.7!,f=-6.1!) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00515 USER MOD Single : A 38 GLN : amide:sc= -2.81! C(o=-2.8!,f=-11!) USER MOD Single : A 43 SER OG : rot 17:sc= -0.658 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.06) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.114 F(o=-1.5!,f=-0.11) 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 -83:sc= 1.04 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0737 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 8:sc= 0.716 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0316 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+ 161:sc=-0.00357 (180deg=-0.298) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 89 TYR OH : rot -13:sc= 0.211 USER MOD Single : A 92 GLN :FLIP amide:sc= -3.97 F(o=-5.1!,f=-4) USER MOD Single : A 93 SER OG : rot 170:sc= -1.25 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 USER MOD Single : A 98 ASN :FLIP amide:sc= 0.969 F(o=-0.26,f=0.97) USER MOD Single : A 99 HIS : no HE2:sc= 0.572 K(o=0.57,f=-5.6!) 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 37 N MET A 3 74.583 7.789 -12.577 1.00 0.00 N ATOM 38 CA MET A 3 75.510 6.702 -12.285 1.00 0.00 C ATOM 39 C MET A 3 76.237 6.992 -10.975 1.00 0.00 C ATOM 40 O MET A 3 76.259 8.133 -10.514 1.00 0.00 O ATOM 41 CB MET A 3 76.513 6.562 -13.440 1.00 0.00 C ATOM 42 CG MET A 3 76.214 5.340 -14.314 1.00 0.00 C ATOM 43 SD MET A 3 74.859 5.725 -15.450 1.00 0.00 S ATOM 44 CE MET A 3 74.676 4.067 -16.153 1.00 0.00 C ATOM 0 HA MET A 3 74.962 5.765 -12.181 1.00 0.00 H new ATOM 0 HB2 MET A 3 76.487 7.462 -14.054 1.00 0.00 H new ATOM 0 HB3 MET A 3 77.522 6.481 -13.036 1.00 0.00 H new ATOM 0 HG2 MET A 3 77.104 5.055 -14.876 1.00 0.00 H new ATOM 0 HG3 MET A 3 75.947 4.489 -13.688 1.00 0.00 H new ATOM 0 HE1 MET A 3 73.877 4.072 -16.894 1.00 0.00 H new ATOM 0 HE2 MET A 3 75.610 3.768 -16.629 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.431 3.361 -15.360 1.00 0.00 H new ATOM 54 N LEU A 4 76.940 5.994 -10.446 1.00 0.00 N ATOM 55 CA LEU A 4 77.715 6.168 -9.223 1.00 0.00 C ATOM 56 C LEU A 4 79.207 6.198 -9.529 1.00 0.00 C ATOM 57 O LEU A 4 79.696 5.451 -10.377 1.00 0.00 O ATOM 58 CB LEU A 4 77.422 5.019 -8.255 1.00 0.00 C ATOM 59 CG LEU A 4 75.935 5.026 -7.876 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.464 3.620 -7.490 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.685 5.972 -6.697 1.00 0.00 C ATOM 0 H LEU A 4 76.988 5.057 -10.846 1.00 0.00 H new ATOM 0 HA LEU A 4 77.429 7.117 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.685 4.067 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.036 5.120 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 4 75.375 5.368 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.407 3.650 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.608 2.944 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.042 3.264 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.625 5.964 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.267 5.643 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.984 6.983 -6.972 1.00 0.00 H new ATOM 73 N THR A 5 79.924 7.078 -8.835 1.00 0.00 N ATOM 74 CA THR A 5 81.356 7.247 -9.069 1.00 0.00 C ATOM 75 C THR A 5 82.136 6.766 -7.855 1.00 0.00 C ATOM 76 O THR A 5 81.935 7.237 -6.735 1.00 0.00 O ATOM 77 CB THR A 5 81.707 8.713 -9.344 1.00 0.00 C ATOM 78 OG1 THR A 5 82.050 9.358 -8.127 1.00 0.00 O ATOM 79 CG2 THR A 5 80.508 9.424 -9.975 1.00 0.00 C ATOM 0 H THR A 5 79.539 7.683 -8.109 1.00 0.00 H new ATOM 0 HA THR A 5 81.624 6.657 -9.945 1.00 0.00 H new ATOM 0 HB THR A 5 82.553 8.754 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 5 82.151 10.320 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 5 80.763 10.466 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 5 80.247 8.934 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 5 79.658 9.379 -9.294 1.00 0.00 H new ATOM 87 N GLN A 6 83.093 5.886 -8.122 1.00 0.00 N ATOM 88 CA GLN A 6 83.932 5.337 -7.060 1.00 0.00 C ATOM 89 C GLN A 6 85.347 5.085 -7.574 1.00 0.00 C ATOM 90 O GLN A 6 85.605 5.214 -8.770 1.00 0.00 O ATOM 91 CB GLN A 6 83.324 4.046 -6.491 1.00 0.00 C ATOM 92 CG GLN A 6 81.877 3.870 -6.958 1.00 0.00 C ATOM 93 CD GLN A 6 81.331 2.546 -6.438 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.144 2.262 -6.596 1.00 0.00 O ATOM 95 NE2 GLN A 6 82.123 1.733 -5.795 1.00 0.00 N ATOM 0 H GLN A 6 83.308 5.538 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 6 83.982 6.069 -6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.919 3.189 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.358 4.073 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.264 4.695 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.830 3.892 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.106 1.973 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.759 0.857 -5.420 1.00 0.00 H new ATOM 104 N PRO A 7 86.231 4.631 -6.725 1.00 0.00 N ATOM 105 CA PRO A 7 87.618 4.271 -7.135 1.00 0.00 C ATOM 106 C PRO A 7 87.649 2.980 -7.950 1.00 0.00 C ATOM 107 O PRO A 7 86.893 2.045 -7.689 1.00 0.00 O ATOM 108 CB PRO A 7 88.393 4.133 -5.817 1.00 0.00 C ATOM 109 CG PRO A 7 87.432 4.418 -4.705 1.00 0.00 C ATOM 110 CD PRO A 7 86.018 4.376 -5.290 1.00 0.00 C ATOM 0 HA PRO A 7 88.059 5.025 -7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.809 3.130 -5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.231 4.829 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.539 3.681 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.635 5.394 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.542 3.410 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.375 5.132 -4.839 1.00 0.00 H new ATOM 118 N HIS A 8 88.541 2.936 -8.935 1.00 0.00 N ATOM 119 CA HIS A 8 88.713 1.743 -9.757 1.00 0.00 C ATOM 120 C HIS A 8 89.385 0.638 -8.948 1.00 0.00 C ATOM 121 O HIS A 8 89.059 -0.541 -9.094 1.00 0.00 O ATOM 122 CB HIS A 8 89.544 2.086 -10.999 1.00 0.00 C ATOM 123 CG HIS A 8 90.505 3.198 -10.678 1.00 0.00 C ATOM 124 ND1 HIS A 8 90.318 4.551 -10.524 1.00 0.00 N flip ATOM 125 CD2 HIS A 8 91.858 2.976 -10.485 1.00 0.00 C flip ATOM 126 CE1 HIS A 8 91.530 5.152 -10.190 1.00 0.00 C flip ATOM 127 NE2 HIS A 8 92.430 4.167 -10.238 1.00 0.00 N flip ATOM 0 H HIS A 8 89.155 3.712 -9.183 1.00 0.00 H new ATOM 0 HA HIS A 8 87.735 1.384 -10.078 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.092 1.206 -11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 8 88.887 2.385 -11.816 1.00 0.00 H new ATOM 0 HD2 HIS A 8 92.361 2.021 -10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 8 91.704 6.189 -9.945 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.432 4.302 -10.103 1.00 0.00 H new ATOM 135 N SER A 9 90.369 1.021 -8.142 1.00 0.00 N ATOM 136 CA SER A 9 91.082 0.055 -7.316 1.00 0.00 C ATOM 137 C SER A 9 91.812 0.779 -6.190 1.00 0.00 C ATOM 138 O SER A 9 92.071 1.979 -6.284 1.00 0.00 O ATOM 139 CB SER A 9 92.098 -0.719 -8.158 1.00 0.00 C ATOM 140 OG SER A 9 91.426 -1.414 -9.198 1.00 0.00 O ATOM 0 H SER A 9 90.689 1.985 -8.043 1.00 0.00 H new ATOM 0 HA SER A 9 90.359 -0.644 -6.897 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.832 -0.033 -8.581 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.644 -1.423 -7.530 1.00 0.00 H new ATOM 0 HG SER A 9 90.466 -1.444 -9.004 1.00 0.00 H new ATOM 146 N VAL A 10 92.125 0.056 -5.121 1.00 0.00 N ATOM 147 CA VAL A 10 92.803 0.670 -3.987 1.00 0.00 C ATOM 148 C VAL A 10 93.443 -0.404 -3.117 1.00 0.00 C ATOM 149 O VAL A 10 93.013 -1.558 -3.110 1.00 0.00 O ATOM 150 CB VAL A 10 91.807 1.495 -3.168 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.598 0.632 -2.801 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.480 2.002 -1.890 1.00 0.00 C ATOM 0 H VAL A 10 91.924 -0.939 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 10 93.587 1.332 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 10 91.476 2.346 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.892 1.224 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.112 0.280 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.927 -0.224 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.767 2.588 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.819 1.153 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.335 2.626 -2.152 1.00 0.00 H new ATOM 162 N SER A 11 94.462 -0.006 -2.363 1.00 0.00 N ATOM 163 CA SER A 11 95.169 -0.938 -1.494 1.00 0.00 C ATOM 164 C SER A 11 95.491 -0.273 -0.162 1.00 0.00 C ATOM 165 O SER A 11 95.632 0.948 -0.086 1.00 0.00 O ATOM 166 CB SER A 11 96.471 -1.389 -2.159 1.00 0.00 C ATOM 167 OG SER A 11 96.186 -1.985 -3.415 1.00 0.00 O ATOM 0 H SER A 11 94.815 0.951 -2.336 1.00 0.00 H new ATOM 0 HA SER A 11 94.530 -1.804 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.136 -0.536 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.991 -2.101 -1.518 1.00 0.00 H new ATOM 0 HG SER A 11 97.022 -2.271 -3.839 1.00 0.00 H new ATOM 173 N GLU A 12 95.631 -1.084 0.881 1.00 0.00 N ATOM 174 CA GLU A 12 95.950 -0.552 2.199 1.00 0.00 C ATOM 175 C GLU A 12 96.623 -1.617 3.058 1.00 0.00 C ATOM 176 O GLU A 12 96.297 -2.800 2.959 1.00 0.00 O ATOM 177 CB GLU A 12 94.663 -0.070 2.873 1.00 0.00 C ATOM 178 CG GLU A 12 95.002 0.923 3.987 1.00 0.00 C ATOM 179 CD GLU A 12 95.344 2.282 3.384 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.203 2.429 2.181 1.00 0.00 O ATOM 181 OE2 GLU A 12 95.761 3.151 4.132 1.00 0.00 O ATOM 0 H GLU A 12 95.530 -2.098 0.841 1.00 0.00 H new ATOM 0 HA GLU A 12 96.641 0.284 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.012 0.403 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.117 -0.919 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.157 1.020 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.844 0.553 4.572 1.00 0.00 H new ATOM 188 N SER A 13 97.559 -1.193 3.902 1.00 0.00 N ATOM 189 CA SER A 13 98.286 -2.125 4.756 1.00 0.00 C ATOM 190 C SER A 13 97.496 -2.388 6.036 1.00 0.00 C ATOM 191 O SER A 13 96.821 -1.489 6.540 1.00 0.00 O ATOM 192 CB SER A 13 99.667 -1.546 5.088 1.00 0.00 C ATOM 193 OG SER A 13 99.832 -1.435 6.495 1.00 0.00 O ATOM 0 H SER A 13 97.830 -0.216 4.012 1.00 0.00 H new ATOM 0 HA SER A 13 98.415 -3.071 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.446 -2.186 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.779 -0.566 4.624 1.00 0.00 H new ATOM 0 HG SER A 13 100.718 -1.066 6.692 1.00 0.00 H new ATOM 199 N PRO A 14 97.694 -3.518 6.661 1.00 0.00 N ATOM 200 CA PRO A 14 96.971 -3.861 7.917 1.00 0.00 C ATOM 201 C PRO A 14 97.247 -2.828 9.007 1.00 0.00 C ATOM 202 O PRO A 14 98.347 -2.281 9.089 1.00 0.00 O ATOM 203 CB PRO A 14 97.485 -5.253 8.311 1.00 0.00 C ATOM 204 CG PRO A 14 98.544 -5.641 7.326 1.00 0.00 C ATOM 205 CD PRO A 14 98.508 -4.641 6.167 1.00 0.00 C ATOM 0 HA PRO A 14 95.890 -3.861 7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.890 -5.239 9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.671 -5.978 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.525 -5.637 7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.371 -6.653 6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.512 -4.313 5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.067 -5.086 5.275 1.00 0.00 H new ATOM 213 N GLY A 15 96.249 -2.576 9.848 1.00 0.00 N ATOM 214 CA GLY A 15 96.397 -1.642 10.960 1.00 0.00 C ATOM 215 C GLY A 15 95.829 -0.273 10.600 1.00 0.00 C ATOM 216 O GLY A 15 95.272 0.422 11.450 1.00 0.00 O ATOM 0 H GLY A 15 95.327 -3.006 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.885 -2.033 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.451 -1.546 11.222 1.00 0.00 H new ATOM 220 N LYS A 16 95.951 0.102 9.331 1.00 0.00 N ATOM 221 CA LYS A 16 95.450 1.392 8.871 1.00 0.00 C ATOM 222 C LYS A 16 93.944 1.327 8.643 1.00 0.00 C ATOM 223 O LYS A 16 93.270 0.437 9.162 1.00 0.00 O ATOM 224 CB LYS A 16 96.152 1.779 7.568 1.00 0.00 C ATOM 225 CG LYS A 16 97.670 1.782 7.770 1.00 0.00 C ATOM 226 CD LYS A 16 98.095 2.958 8.653 1.00 0.00 C ATOM 227 CE LYS A 16 99.601 3.198 8.511 1.00 0.00 C ATOM 228 NZ LYS A 16 99.871 3.951 7.253 1.00 0.00 N ATOM 0 H LYS A 16 96.390 -0.466 8.606 1.00 0.00 H new ATOM 0 HA LYS A 16 95.656 2.142 9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.884 1.077 6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.818 2.765 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.983 0.844 8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.171 1.846 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.546 3.855 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.847 2.751 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.973 3.758 9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.132 2.246 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 100.771 3.630 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.101 3.781 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.929 4.968 7.463 1.00 0.00 H new ATOM 242 N THR A 17 93.409 2.306 7.918 1.00 0.00 N ATOM 243 CA THR A 17 91.976 2.370 7.641 1.00 0.00 C ATOM 244 C THR A 17 91.713 2.375 6.138 1.00 0.00 C ATOM 245 O THR A 17 92.612 2.640 5.341 1.00 0.00 O ATOM 246 CB THR A 17 91.383 3.642 8.252 1.00 0.00 C ATOM 247 OG1 THR A 17 92.198 4.750 7.897 1.00 0.00 O ATOM 248 CG2 THR A 17 91.317 3.549 9.781 1.00 0.00 C ATOM 0 H THR A 17 93.949 3.069 7.510 1.00 0.00 H new ATOM 0 HA THR A 17 91.507 1.490 8.082 1.00 0.00 H new ATOM 0 HB THR A 17 90.370 3.765 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.823 5.569 8.284 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.891 4.468 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.691 2.704 10.067 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.321 3.409 10.181 1.00 0.00 H new ATOM 256 N VAL A 18 90.457 2.143 5.766 1.00 0.00 N ATOM 257 CA VAL A 18 90.033 2.221 4.373 1.00 0.00 C ATOM 258 C VAL A 18 88.853 3.177 4.245 1.00 0.00 C ATOM 259 O VAL A 18 87.865 3.085 4.972 1.00 0.00 O ATOM 260 CB VAL A 18 89.678 0.817 3.874 1.00 0.00 C ATOM 261 CG1 VAL A 18 88.881 0.895 2.568 1.00 0.00 C ATOM 262 CG2 VAL A 18 90.953 -0.016 3.681 1.00 0.00 C ATOM 0 H VAL A 18 89.711 1.898 6.416 1.00 0.00 H new ATOM 0 HA VAL A 18 90.843 2.609 3.755 1.00 0.00 H new ATOM 0 HB VAL A 18 89.055 0.329 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.638 -0.112 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 87.960 1.453 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.477 1.400 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.687 -1.012 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.598 0.470 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.481 -0.099 4.631 1.00 0.00 H new ATOM 272 N THR A 19 88.939 4.042 3.242 1.00 0.00 N ATOM 273 CA THR A 19 87.873 4.984 2.929 1.00 0.00 C ATOM 274 C THR A 19 87.462 4.857 1.467 1.00 0.00 C ATOM 275 O THR A 19 88.273 5.036 0.558 1.00 0.00 O ATOM 276 CB THR A 19 88.372 6.403 3.232 1.00 0.00 C ATOM 277 OG1 THR A 19 89.792 6.409 3.211 1.00 0.00 O ATOM 278 CG2 THR A 19 87.910 6.852 4.620 1.00 0.00 C ATOM 0 H THR A 19 89.748 4.110 2.624 1.00 0.00 H new ATOM 0 HA THR A 19 86.996 4.767 3.538 1.00 0.00 H new ATOM 0 HB THR A 19 87.969 7.082 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 19 90.118 7.313 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 19 88.274 7.861 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.821 6.845 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 19 88.306 6.171 5.373 1.00 0.00 H new ATOM 286 N ILE A 20 86.173 4.609 1.259 1.00 0.00 N ATOM 287 CA ILE A 20 85.612 4.504 -0.085 1.00 0.00 C ATOM 288 C ILE A 20 84.698 5.691 -0.361 1.00 0.00 C ATOM 289 O ILE A 20 83.844 6.017 0.462 1.00 0.00 O ATOM 290 CB ILE A 20 84.797 3.213 -0.206 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.680 2.018 0.166 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.273 3.056 -1.638 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.819 0.774 0.401 1.00 0.00 C ATOM 0 H ILE A 20 85.493 4.476 2.008 1.00 0.00 H new ATOM 0 HA ILE A 20 86.429 4.495 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 20 83.946 3.257 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.399 1.826 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.254 2.247 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.695 2.135 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.638 3.906 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.114 3.015 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.460 -0.067 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.118 0.965 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.265 0.538 -0.508 1.00 0.00 H new ATOM 305 N SER A 21 84.851 6.312 -1.527 1.00 0.00 N ATOM 306 CA SER A 21 84.024 7.456 -1.901 1.00 0.00 C ATOM 307 C SER A 21 83.052 7.068 -3.010 1.00 0.00 C ATOM 308 O SER A 21 83.469 6.734 -4.119 1.00 0.00 O ATOM 309 CB SER A 21 84.923 8.599 -2.377 1.00 0.00 C ATOM 310 OG SER A 21 84.126 9.614 -2.970 1.00 0.00 O ATOM 0 H SER A 21 85.540 6.043 -2.229 1.00 0.00 H new ATOM 0 HA SER A 21 83.450 7.779 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.485 9.008 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.652 8.227 -3.097 1.00 0.00 H new ATOM 0 HG SER A 21 84.702 10.347 -3.273 1.00 0.00 H new ATOM 316 N CYS A 22 81.758 7.182 -2.727 1.00 0.00 N ATOM 317 CA CYS A 22 80.717 6.878 -3.706 1.00 0.00 C ATOM 318 C CYS A 22 79.918 8.154 -3.960 1.00 0.00 C ATOM 319 O CYS A 22 79.174 8.593 -3.082 1.00 0.00 O ATOM 320 CB CYS A 22 79.813 5.793 -3.103 1.00 0.00 C ATOM 321 SG CYS A 22 79.561 4.409 -4.240 1.00 0.00 S ATOM 0 H CYS A 22 81.402 7.485 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 22 81.137 6.524 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.256 5.425 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.848 6.229 -2.843 1.00 0.00 H new ATOM 326 N THR A 23 79.955 8.670 -5.187 1.00 0.00 N ATOM 327 CA THR A 23 79.141 9.824 -5.560 1.00 0.00 C ATOM 328 C THR A 23 78.097 9.419 -6.593 1.00 0.00 C ATOM 329 O THR A 23 78.443 8.804 -7.601 1.00 0.00 O ATOM 330 CB THR A 23 80.036 10.933 -6.116 1.00 0.00 C ATOM 331 OG1 THR A 23 81.094 11.179 -5.201 1.00 0.00 O ATOM 332 CG2 THR A 23 79.241 12.224 -6.340 1.00 0.00 C ATOM 0 H THR A 23 80.540 8.307 -5.939 1.00 0.00 H new ATOM 0 HA THR A 23 78.626 10.197 -4.675 1.00 0.00 H new ATOM 0 HB THR A 23 80.436 10.609 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.672 11.888 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 23 79.903 12.995 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.436 12.037 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 23 78.818 12.560 -5.393 1.00 0.00 H new ATOM 340 N GLY A 24 76.901 9.988 -6.483 1.00 0.00 N ATOM 341 CA GLY A 24 75.847 9.739 -7.460 1.00 0.00 C ATOM 342 C GLY A 24 75.669 10.940 -8.382 1.00 0.00 C ATOM 343 O GLY A 24 75.967 12.075 -8.011 1.00 0.00 O ATOM 0 H GLY A 24 76.638 10.623 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.093 8.856 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 24 74.910 9.528 -6.945 1.00 0.00 H new ATOM 347 N SER A 25 75.164 10.681 -9.584 1.00 0.00 N ATOM 348 CA SER A 25 74.950 11.730 -10.577 1.00 0.00 C ATOM 349 C SER A 25 73.466 11.858 -10.901 1.00 0.00 C ATOM 350 O SER A 25 72.713 10.889 -10.808 1.00 0.00 O ATOM 351 CB SER A 25 75.722 11.402 -11.857 1.00 0.00 C ATOM 352 OG SER A 25 75.814 12.568 -12.662 1.00 0.00 O ATOM 0 H SER A 25 74.894 9.748 -9.896 1.00 0.00 H new ATOM 0 HA SER A 25 75.309 12.674 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.719 11.037 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.218 10.606 -12.406 1.00 0.00 H new ATOM 0 HG SER A 25 76.310 12.361 -13.482 1.00 0.00 H new ATOM 358 N SER A 26 73.041 13.074 -11.229 1.00 0.00 N ATOM 359 CA SER A 26 71.641 13.321 -11.551 1.00 0.00 C ATOM 360 C SER A 26 70.741 12.856 -10.411 1.00 0.00 C ATOM 361 O SER A 26 69.520 12.805 -10.552 1.00 0.00 O ATOM 362 CB SER A 26 71.263 12.578 -12.835 1.00 0.00 C ATOM 363 OG SER A 26 69.868 12.310 -12.834 1.00 0.00 O ATOM 0 H SER A 26 73.641 13.897 -11.279 1.00 0.00 H new ATOM 0 HA SER A 26 71.503 14.393 -11.696 1.00 0.00 H new ATOM 0 HB2 SER A 26 71.528 13.177 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.823 11.646 -12.907 1.00 0.00 H new ATOM 0 HG SER A 26 69.409 12.968 -12.272 1.00 0.00 H new ATOM 369 N GLY A 27 71.345 12.596 -9.256 1.00 0.00 N ATOM 370 CA GLY A 27 70.581 12.173 -8.088 1.00 0.00 C ATOM 371 C GLY A 27 71.342 12.462 -6.799 1.00 0.00 C ATOM 372 O GLY A 27 72.488 12.911 -6.831 1.00 0.00 O ATOM 0 H GLY A 27 72.351 12.670 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.621 12.690 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.367 11.106 -8.156 1.00 0.00 H new ATOM 376 N SER A 28 70.625 12.403 -5.681 1.00 0.00 N ATOM 377 CA SER A 28 71.192 12.737 -4.379 1.00 0.00 C ATOM 378 C SER A 28 71.359 11.487 -3.522 1.00 0.00 C ATOM 379 O SER A 28 70.559 10.554 -3.596 1.00 0.00 O ATOM 380 CB SER A 28 70.289 13.733 -3.650 1.00 0.00 C ATOM 381 OG SER A 28 70.947 14.197 -2.480 1.00 0.00 O ATOM 0 H SER A 28 69.644 12.125 -5.651 1.00 0.00 H new ATOM 0 HA SER A 28 72.172 13.185 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.052 14.572 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 69.344 13.258 -3.385 1.00 0.00 H new ATOM 0 HG SER A 28 71.775 14.657 -2.731 1.00 0.00 H new ATOM 387 N ILE A 29 72.432 11.466 -2.738 1.00 0.00 N ATOM 388 CA ILE A 29 72.731 10.320 -1.887 1.00 0.00 C ATOM 389 C ILE A 29 72.007 10.444 -0.550 1.00 0.00 C ATOM 390 O ILE A 29 72.049 9.528 0.271 1.00 0.00 O ATOM 391 CB ILE A 29 74.243 10.193 -1.657 1.00 0.00 C ATOM 392 CG1 ILE A 29 74.861 11.555 -1.315 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.925 9.614 -2.906 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.437 12.064 0.064 1.00 0.00 C ATOM 0 H ILE A 29 73.107 12.228 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 29 72.381 9.421 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 29 74.401 9.518 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.948 11.476 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.569 12.283 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.997 9.529 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.514 8.628 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.749 10.274 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 29 74.903 13.031 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.353 12.172 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.753 11.353 0.827 1.00 0.00 H new ATOM 406 N ALA A 30 71.380 11.593 -0.318 1.00 0.00 N ATOM 407 CA ALA A 30 70.651 11.829 0.925 1.00 0.00 C ATOM 408 C ALA A 30 69.149 11.699 0.695 1.00 0.00 C ATOM 409 O ALA A 30 68.391 11.457 1.634 1.00 0.00 O ATOM 410 CB ALA A 30 70.960 13.233 1.447 1.00 0.00 C ATOM 0 H ALA A 30 71.362 12.375 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 30 70.965 11.085 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.414 13.405 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.030 13.324 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.657 13.972 0.705 1.00 0.00 H new ATOM 416 N SER A 31 68.728 11.841 -0.558 1.00 0.00 N ATOM 417 CA SER A 31 67.315 11.703 -0.895 1.00 0.00 C ATOM 418 C SER A 31 66.910 10.234 -0.946 1.00 0.00 C ATOM 419 O SER A 31 65.722 9.908 -0.945 1.00 0.00 O ATOM 420 CB SER A 31 67.020 12.347 -2.251 1.00 0.00 C ATOM 421 OG SER A 31 67.691 11.622 -3.271 1.00 0.00 O ATOM 0 H SER A 31 69.337 12.049 -1.349 1.00 0.00 H new ATOM 0 HA SER A 31 66.740 12.208 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 31 65.946 12.351 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.348 13.386 -2.252 1.00 0.00 H new ATOM 0 HG SER A 31 67.503 12.031 -4.141 1.00 0.00 H new ATOM 427 N ASN A 32 67.902 9.351 -0.912 1.00 0.00 N ATOM 428 CA ASN A 32 67.648 7.915 -0.958 1.00 0.00 C ATOM 429 C ASN A 32 68.601 7.207 -0.001 1.00 0.00 C ATOM 430 O ASN A 32 69.677 7.720 0.307 1.00 0.00 O ATOM 431 CB ASN A 32 67.850 7.389 -2.383 1.00 0.00 C ATOM 432 CG ASN A 32 67.450 8.456 -3.396 1.00 0.00 C ATOM 433 OD1 ASN A 32 66.215 8.877 -3.441 1.00 0.00 O flip ATOM 434 ND2 ASN A 32 68.285 8.913 -4.177 1.00 0.00 N flip ATOM 0 H ASN A 32 68.888 9.604 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 32 66.618 7.720 -0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.893 7.108 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.253 6.490 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 32 69.250 8.584 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 32 68.012 9.620 -4.859 1.00 0.00 H new ATOM 441 N TYR A 33 68.258 5.976 0.363 1.00 0.00 N ATOM 442 CA TYR A 33 69.097 5.200 1.269 1.00 0.00 C ATOM 443 C TYR A 33 70.134 4.414 0.473 1.00 0.00 C ATOM 444 O TYR A 33 69.830 3.871 -0.588 1.00 0.00 O ATOM 445 CB TYR A 33 68.227 4.231 2.071 1.00 0.00 C ATOM 446 CG TYR A 33 67.153 5.003 2.802 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.507 5.928 3.792 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.806 4.816 2.472 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.512 6.645 4.467 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.808 5.471 3.203 1.00 0.00 C ATOM 451 CZ TYR A 33 65.165 6.442 4.146 1.00 0.00 C ATOM 452 OH TYR A 33 64.184 7.150 4.811 1.00 0.00 O ATOM 0 H TYR A 33 67.414 5.498 0.048 1.00 0.00 H new ATOM 0 HA TYR A 33 69.609 5.880 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.773 3.497 1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.841 3.679 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.547 6.088 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.536 4.166 1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.784 7.354 5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.768 5.229 3.040 1.00 0.00 H new ATOM 0 HH TYR A 33 63.304 6.891 4.467 1.00 0.00 H new ATOM 462 N VAL A 34 71.381 4.448 0.933 1.00 0.00 N ATOM 463 CA VAL A 34 72.473 3.761 0.250 1.00 0.00 C ATOM 464 C VAL A 34 73.007 2.663 1.166 1.00 0.00 C ATOM 465 O VAL A 34 73.239 2.879 2.355 1.00 0.00 O ATOM 466 CB VAL A 34 73.573 4.770 -0.102 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.793 4.095 -0.747 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.005 5.836 -1.043 1.00 0.00 C ATOM 0 H VAL A 34 71.661 4.945 1.778 1.00 0.00 H new ATOM 0 HA VAL A 34 72.120 3.309 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 34 73.912 5.232 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.546 4.849 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.212 3.364 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.488 3.593 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.786 6.554 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.643 5.361 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.181 6.354 -0.552 1.00 0.00 H new ATOM 478 N GLN A 35 73.268 1.495 0.587 1.00 0.00 N ATOM 479 CA GLN A 35 73.802 0.366 1.341 1.00 0.00 C ATOM 480 C GLN A 35 75.131 -0.076 0.739 1.00 0.00 C ATOM 481 O GLN A 35 75.484 0.312 -0.375 1.00 0.00 O ATOM 482 CB GLN A 35 72.820 -0.807 1.298 1.00 0.00 C ATOM 483 CG GLN A 35 71.448 -0.348 1.795 1.00 0.00 C ATOM 484 CD GLN A 35 70.781 0.523 0.737 1.00 0.00 C ATOM 485 OE1 GLN A 35 71.081 0.401 -0.450 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.942 1.451 1.110 1.00 0.00 N ATOM 0 H GLN A 35 73.118 1.306 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 35 73.952 0.677 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.740 -1.190 0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.187 -1.625 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.822 -1.213 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.556 0.211 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 35 69.695 1.550 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 35 69.533 2.077 0.417 1.00 0.00 H new ATOM 495 N TRP A 36 75.888 -0.844 1.515 1.00 0.00 N ATOM 496 CA TRP A 36 77.215 -1.289 1.103 1.00 0.00 C ATOM 497 C TRP A 36 77.251 -2.810 0.999 1.00 0.00 C ATOM 498 O TRP A 36 76.399 -3.502 1.557 1.00 0.00 O ATOM 499 CB TRP A 36 78.246 -0.823 2.131 1.00 0.00 C ATOM 500 CG TRP A 36 78.403 0.662 2.044 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.631 1.555 2.704 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.374 1.440 1.282 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.063 2.832 2.399 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.144 2.815 1.541 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.453 1.098 0.451 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.930 3.813 0.954 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.224 2.096 -0.160 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.962 3.450 0.083 1.00 0.00 C ATOM 0 H TRP A 36 75.604 -1.173 2.438 1.00 0.00 H new ATOM 0 HA TRP A 36 77.448 -0.863 0.127 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.929 -1.107 3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.203 -1.312 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.811 1.310 3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.635 3.683 2.764 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.690 0.058 0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.741 4.854 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.028 1.818 -0.825 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.555 4.212 -0.401 1.00 0.00 H new ATOM 519 N TYR A 37 78.174 -3.314 0.186 1.00 0.00 N ATOM 520 CA TYR A 37 78.266 -4.745 -0.080 1.00 0.00 C ATOM 521 C TYR A 37 79.710 -5.129 -0.388 1.00 0.00 C ATOM 522 O TYR A 37 80.500 -4.308 -0.852 1.00 0.00 O ATOM 523 CB TYR A 37 77.351 -5.137 -1.247 1.00 0.00 C ATOM 524 CG TYR A 37 75.984 -5.533 -0.740 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.776 -6.821 -0.231 1.00 0.00 C ATOM 526 CD2 TYR A 37 74.948 -4.593 -0.716 1.00 0.00 C ATOM 527 CE1 TYR A 37 74.523 -7.177 0.281 1.00 0.00 C ATOM 528 CE2 TYR A 37 73.683 -4.963 -0.243 1.00 0.00 C ATOM 529 CZ TYR A 37 73.467 -6.259 0.240 1.00 0.00 C ATOM 530 OH TYR A 37 72.220 -6.620 0.706 1.00 0.00 O ATOM 0 H TYR A 37 78.871 -2.751 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 37 77.939 -5.285 0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.260 -4.302 -1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.793 -5.965 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.582 -7.539 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.123 -3.585 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.371 -8.158 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 37 72.874 -4.248 -0.251 1.00 0.00 H new ATOM 0 HH TYR A 37 71.602 -5.866 0.606 1.00 0.00 H new ATOM 540 N GLN A 38 80.041 -6.391 -0.131 1.00 0.00 N ATOM 541 CA GLN A 38 81.388 -6.897 -0.374 1.00 0.00 C ATOM 542 C GLN A 38 81.274 -8.241 -1.086 1.00 0.00 C ATOM 543 O GLN A 38 80.541 -9.126 -0.645 1.00 0.00 O ATOM 544 CB GLN A 38 82.113 -7.046 0.973 1.00 0.00 C ATOM 545 CG GLN A 38 83.408 -6.228 1.035 1.00 0.00 C ATOM 546 CD GLN A 38 84.561 -6.987 0.386 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.347 -8.020 -0.248 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.785 -6.579 0.586 1.00 0.00 N ATOM 0 H GLN A 38 79.394 -7.083 0.246 1.00 0.00 H new ATOM 0 HA GLN A 38 81.959 -6.211 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.448 -6.730 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.343 -8.098 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.265 -5.273 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.653 -6.005 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.957 -5.722 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.569 -7.117 0.216 1.00 0.00 H new ATOM 557 N GLN A 39 82.092 -8.426 -2.119 1.00 0.00 N ATOM 558 CA GLN A 39 82.085 -9.668 -2.886 1.00 0.00 C ATOM 559 C GLN A 39 83.466 -10.310 -2.810 1.00 0.00 C ATOM 560 O GLN A 39 84.365 -9.985 -3.585 1.00 0.00 O ATOM 561 CB GLN A 39 81.710 -9.366 -4.343 1.00 0.00 C ATOM 562 CG GLN A 39 80.201 -9.517 -4.547 1.00 0.00 C ATOM 563 CD GLN A 39 79.805 -9.138 -5.971 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.656 -9.060 -6.857 1.00 0.00 O ATOM 565 NE2 GLN A 39 78.560 -8.846 -6.231 1.00 0.00 N ATOM 0 H GLN A 39 82.767 -7.733 -2.443 1.00 0.00 H new ATOM 0 HA GLN A 39 81.350 -10.359 -2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.019 -8.353 -4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.243 -10.043 -5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 39 79.903 -10.546 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 39 79.669 -8.885 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 39 77.856 -8.911 -5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 39 78.290 -8.552 -7.170 1.00 0.00 H new ATOM 574 N ARG A 40 83.593 -11.270 -1.899 1.00 0.00 N ATOM 575 CA ARG A 40 84.824 -12.038 -1.732 1.00 0.00 C ATOM 576 C ARG A 40 84.768 -13.291 -2.606 1.00 0.00 C ATOM 577 O ARG A 40 83.721 -13.936 -2.675 1.00 0.00 O ATOM 578 CB ARG A 40 85.040 -12.397 -0.253 1.00 0.00 C ATOM 579 CG ARG A 40 83.850 -11.932 0.593 1.00 0.00 C ATOM 580 CD ARG A 40 84.018 -12.379 2.048 1.00 0.00 C ATOM 581 NE ARG A 40 84.844 -11.427 2.780 1.00 0.00 N ATOM 582 CZ ARG A 40 85.232 -11.677 4.025 1.00 0.00 C ATOM 583 NH1 ARG A 40 84.357 -11.689 4.993 1.00 0.00 N ATOM 584 NH2 ARG A 40 86.469 -12.015 4.263 1.00 0.00 N ATOM 0 H ARG A 40 82.847 -11.538 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 40 85.673 -11.432 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 40 85.168 -13.474 -0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.956 -11.931 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 40 83.766 -10.846 0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 40 82.925 -12.340 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 40 83.041 -12.464 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.476 -13.368 2.081 1.00 0.00 H new ATOM 0 HE ARG A 40 85.128 -10.557 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 40 83.373 -11.506 4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 40 84.657 -11.881 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.135 -12.087 3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.770 -12.208 5.218 1.00 0.00 H new ATOM 598 N PRO A 41 85.859 -13.718 -3.187 1.00 0.00 N ATOM 599 CA PRO A 41 85.869 -14.962 -4.006 1.00 0.00 C ATOM 600 C PRO A 41 85.382 -16.156 -3.190 1.00 0.00 C ATOM 601 O PRO A 41 85.703 -16.281 -2.009 1.00 0.00 O ATOM 602 CB PRO A 41 87.326 -15.149 -4.452 1.00 0.00 C ATOM 603 CG PRO A 41 88.122 -14.013 -3.887 1.00 0.00 C ATOM 604 CD PRO A 41 87.159 -13.027 -3.219 1.00 0.00 C ATOM 0 HA PRO A 41 85.198 -14.888 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.716 -16.103 -4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.395 -15.161 -5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.848 -14.383 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.685 -13.516 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.493 -12.770 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.096 -12.096 -3.782 1.00 0.00 H new ATOM 612 N GLY A 42 84.657 -17.061 -3.840 1.00 0.00 N ATOM 613 CA GLY A 42 84.213 -18.280 -3.176 1.00 0.00 C ATOM 614 C GLY A 42 83.138 -17.977 -2.138 1.00 0.00 C ATOM 615 O GLY A 42 82.696 -18.870 -1.415 1.00 0.00 O ATOM 0 H GLY A 42 84.368 -16.975 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 42 83.823 -18.979 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.062 -18.766 -2.695 1.00 0.00 H new ATOM 619 N SER A 43 82.681 -16.729 -2.099 1.00 0.00 N ATOM 620 CA SER A 43 81.643 -16.321 -1.157 1.00 0.00 C ATOM 621 C SER A 43 80.639 -15.401 -1.842 1.00 0.00 C ATOM 622 O SER A 43 80.993 -14.629 -2.733 1.00 0.00 O ATOM 623 CB SER A 43 82.267 -15.585 0.031 1.00 0.00 C ATOM 624 OG SER A 43 83.163 -14.594 -0.450 1.00 0.00 O ATOM 0 H SER A 43 83.013 -15.982 -2.709 1.00 0.00 H new ATOM 0 HA SER A 43 81.131 -17.216 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 43 81.488 -15.124 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.796 -16.289 0.673 1.00 0.00 H new ATOM 0 HG SER A 43 82.981 -14.421 -1.397 1.00 0.00 H new ATOM 630 N SER A 44 79.393 -15.462 -1.382 1.00 0.00 N ATOM 631 CA SER A 44 78.333 -14.633 -1.944 1.00 0.00 C ATOM 632 C SER A 44 78.398 -13.229 -1.348 1.00 0.00 C ATOM 633 O SER A 44 78.925 -13.045 -0.250 1.00 0.00 O ATOM 634 CB SER A 44 76.976 -15.281 -1.650 1.00 0.00 C ATOM 635 OG SER A 44 76.254 -14.499 -0.709 1.00 0.00 O ATOM 0 H SER A 44 79.094 -16.075 -0.624 1.00 0.00 H new ATOM 0 HA SER A 44 78.463 -14.553 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.402 -15.376 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.122 -16.289 -1.261 1.00 0.00 H new ATOM 0 HG SER A 44 75.388 -14.921 -0.529 1.00 0.00 H new ATOM 641 N PRO A 45 77.775 -12.268 -1.975 1.00 0.00 N ATOM 642 CA PRO A 45 77.803 -10.863 -1.481 1.00 0.00 C ATOM 643 C PRO A 45 77.211 -10.769 -0.077 1.00 0.00 C ATOM 644 O PRO A 45 76.279 -11.500 0.258 1.00 0.00 O ATOM 645 CB PRO A 45 76.973 -10.063 -2.495 1.00 0.00 C ATOM 646 CG PRO A 45 76.499 -11.019 -3.546 1.00 0.00 C ATOM 647 CD PRO A 45 77.197 -12.364 -3.325 1.00 0.00 C ATOM 0 HA PRO A 45 78.819 -10.476 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.126 -9.583 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.574 -9.270 -2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.417 -11.139 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 45 76.725 -10.633 -4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.492 -13.192 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.969 -12.537 -4.075 1.00 0.00 H new ATOM 655 N THR A 46 77.729 -9.845 0.728 1.00 0.00 N ATOM 656 CA THR A 46 77.224 -9.641 2.082 1.00 0.00 C ATOM 657 C THR A 46 77.094 -8.152 2.388 1.00 0.00 C ATOM 658 O THR A 46 78.032 -7.383 2.176 1.00 0.00 O ATOM 659 CB THR A 46 78.163 -10.309 3.090 1.00 0.00 C ATOM 660 OG1 THR A 46 77.516 -10.392 4.351 1.00 0.00 O ATOM 661 CG2 THR A 46 79.454 -9.501 3.235 1.00 0.00 C ATOM 0 H THR A 46 78.497 -9.227 0.466 1.00 0.00 H new ATOM 0 HA THR A 46 76.235 -10.093 2.160 1.00 0.00 H new ATOM 0 HB THR A 46 78.411 -11.308 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 46 78.114 -10.821 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.110 -9.990 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.956 -9.441 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.217 -8.496 3.584 1.00 0.00 H new ATOM 669 N THR A 47 75.905 -7.742 2.818 1.00 0.00 N ATOM 670 CA THR A 47 75.676 -6.349 3.181 1.00 0.00 C ATOM 671 C THR A 47 76.653 -5.917 4.269 1.00 0.00 C ATOM 672 O THR A 47 76.549 -6.347 5.418 1.00 0.00 O ATOM 673 CB THR A 47 74.241 -6.170 3.684 1.00 0.00 C ATOM 674 OG1 THR A 47 74.138 -4.930 4.368 1.00 0.00 O ATOM 675 CG2 THR A 47 73.856 -7.302 4.642 1.00 0.00 C ATOM 0 H THR A 47 75.092 -8.349 2.923 1.00 0.00 H new ATOM 0 HA THR A 47 75.831 -5.730 2.297 1.00 0.00 H new ATOM 0 HB THR A 47 73.566 -6.189 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.221 -4.810 4.691 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.833 -7.154 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.930 -8.258 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.531 -7.300 5.498 1.00 0.00 H new ATOM 683 N VAL A 48 77.513 -4.963 3.937 1.00 0.00 N ATOM 684 CA VAL A 48 78.478 -4.459 4.907 1.00 0.00 C ATOM 685 C VAL A 48 77.783 -3.495 5.862 1.00 0.00 C ATOM 686 O VAL A 48 78.009 -3.536 7.071 1.00 0.00 O ATOM 687 CB VAL A 48 79.625 -3.739 4.189 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.725 -3.348 5.190 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.198 -4.612 3.058 1.00 0.00 C ATOM 0 H VAL A 48 77.563 -4.527 3.016 1.00 0.00 H new ATOM 0 HA VAL A 48 78.888 -5.298 5.470 1.00 0.00 H new ATOM 0 HB VAL A 48 79.230 -2.827 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.532 -2.838 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.309 -2.683 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.116 -4.245 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.010 -4.080 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.577 -5.545 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.413 -4.830 2.334 1.00 0.00 H new ATOM 699 N ILE A 49 76.939 -2.623 5.316 1.00 0.00 N ATOM 700 CA ILE A 49 76.207 -1.650 6.122 1.00 0.00 C ATOM 701 C ILE A 49 74.812 -1.429 5.546 1.00 0.00 C ATOM 702 O ILE A 49 74.544 -1.785 4.399 1.00 0.00 O ATOM 703 CB ILE A 49 76.979 -0.327 6.178 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.269 -0.554 6.973 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.127 0.754 6.851 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.095 0.729 7.079 1.00 0.00 C ATOM 0 H ILE A 49 76.745 -2.571 4.316 1.00 0.00 H new ATOM 0 HA ILE A 49 76.104 -2.038 7.136 1.00 0.00 H new ATOM 0 HB ILE A 49 77.218 0.008 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.023 -0.913 7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.862 -1.331 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.686 1.689 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.209 0.900 6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.879 0.443 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.003 0.531 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.362 1.074 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.510 1.498 7.584 1.00 0.00 H new ATOM 718 N TYR A 50 73.963 -0.739 6.302 1.00 0.00 N ATOM 719 CA TYR A 50 72.611 -0.419 5.855 1.00 0.00 C ATOM 720 C TYR A 50 72.346 1.076 6.001 1.00 0.00 C ATOM 721 O TYR A 50 72.928 1.747 6.854 1.00 0.00 O ATOM 722 CB TYR A 50 71.592 -1.204 6.684 1.00 0.00 C ATOM 723 CG TYR A 50 70.190 -0.732 6.372 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.734 -0.730 5.048 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.364 -0.246 7.394 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.456 -0.242 4.749 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.072 0.206 7.099 1.00 0.00 C ATOM 728 CZ TYR A 50 67.615 0.203 5.775 1.00 0.00 C ATOM 729 OH TYR A 50 66.387 0.752 5.469 1.00 0.00 O ATOM 0 H TYR A 50 74.190 -0.389 7.233 1.00 0.00 H new ATOM 0 HA TYR A 50 72.514 -0.695 4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 50 71.681 -2.269 6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.799 -1.074 7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 50 70.368 -1.105 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.725 -0.220 8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 50 68.118 -0.209 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.428 0.557 7.892 1.00 0.00 H new ATOM 0 HH TYR A 50 65.928 1.009 6.296 1.00 0.00 H new ATOM 739 N GLU A 51 71.452 1.583 5.159 1.00 0.00 N ATOM 740 CA GLU A 51 71.079 2.992 5.193 1.00 0.00 C ATOM 741 C GLU A 51 72.321 3.878 5.223 1.00 0.00 C ATOM 742 O GLU A 51 72.263 5.041 5.623 1.00 0.00 O ATOM 743 CB GLU A 51 70.196 3.260 6.415 1.00 0.00 C ATOM 744 CG GLU A 51 69.351 4.519 6.196 1.00 0.00 C ATOM 745 CD GLU A 51 68.849 5.058 7.532 1.00 0.00 C ATOM 746 OE1 GLU A 51 69.641 5.652 8.245 1.00 0.00 O ATOM 747 OE2 GLU A 51 67.663 4.932 7.788 1.00 0.00 O ATOM 0 H GLU A 51 70.971 1.038 4.443 1.00 0.00 H new ATOM 0 HA GLU A 51 70.518 3.232 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.545 2.404 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.818 3.381 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 51 69.944 5.280 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.505 4.290 5.548 1.00 0.00 H new ATOM 754 N ASP A 52 73.436 3.325 4.758 1.00 0.00 N ATOM 755 CA ASP A 52 74.688 4.070 4.692 1.00 0.00 C ATOM 756 C ASP A 52 74.942 4.806 6.004 1.00 0.00 C ATOM 757 O ASP A 52 75.721 5.758 6.038 1.00 0.00 O ATOM 758 CB ASP A 52 74.658 5.065 3.524 1.00 0.00 C ATOM 759 CG ASP A 52 75.728 4.737 2.486 1.00 0.00 C ATOM 760 OD1 ASP A 52 75.760 3.606 2.031 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.526 5.612 2.194 1.00 0.00 O ATOM 0 H ASP A 52 73.498 2.364 4.421 1.00 0.00 H new ATOM 0 HA ASP A 52 75.500 3.362 4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.675 5.047 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.812 6.076 3.901 1.00 0.00 H new ATOM 766 N ASN A 53 74.291 4.365 7.075 1.00 0.00 N ATOM 767 CA ASN A 53 74.428 5.019 8.372 1.00 0.00 C ATOM 768 C ASN A 53 75.186 4.095 9.322 1.00 0.00 C ATOM 769 O ASN A 53 76.119 4.528 9.997 1.00 0.00 O ATOM 770 CB ASN A 53 73.033 5.372 8.906 1.00 0.00 C ATOM 771 CG ASN A 53 72.729 6.860 8.748 1.00 0.00 C ATOM 772 OD1 ASN A 53 71.988 7.430 9.549 1.00 0.00 O ATOM 773 ND2 ASN A 53 73.258 7.529 7.760 1.00 0.00 N ATOM 0 H ASN A 53 73.665 3.560 7.071 1.00 0.00 H new ATOM 0 HA ASN A 53 74.997 5.944 8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 53 72.281 4.788 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.965 5.096 9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 53 73.057 8.523 7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.872 7.058 7.096 1.00 0.00 H new ATOM 780 N GLN A 54 74.754 2.841 9.410 1.00 0.00 N ATOM 781 CA GLN A 54 75.396 1.877 10.296 1.00 0.00 C ATOM 782 C GLN A 54 74.740 0.508 10.133 1.00 0.00 C ATOM 783 O GLN A 54 73.880 0.324 9.271 1.00 0.00 O ATOM 784 CB GLN A 54 75.289 2.349 11.750 1.00 0.00 C ATOM 785 CG GLN A 54 73.983 3.125 11.956 1.00 0.00 C ATOM 786 CD GLN A 54 73.588 3.161 13.428 1.00 0.00 C ATOM 787 OE1 GLN A 54 73.931 2.182 14.218 1.00 0.00 O flip ATOM 788 NE2 GLN A 54 72.970 4.127 13.877 1.00 0.00 N flip ATOM 0 H GLN A 54 73.965 2.470 8.881 1.00 0.00 H new ATOM 0 HA GLN A 54 76.451 1.796 10.033 1.00 0.00 H new ATOM 0 HB2 GLN A 54 75.322 1.492 12.422 1.00 0.00 H new ATOM 0 HB3 GLN A 54 76.141 2.982 11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 54 74.099 4.143 11.583 1.00 0.00 H new ATOM 0 HG3 GLN A 54 73.186 2.661 11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.702 4.893 13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.726 4.161 14.867 1.00 0.00 H new ATOM 797 N ARG A 55 75.132 -0.444 10.976 1.00 0.00 N ATOM 798 CA ARG A 55 74.660 -1.821 10.860 1.00 0.00 C ATOM 799 C ARG A 55 74.082 -2.278 12.196 1.00 0.00 C ATOM 800 O ARG A 55 74.461 -1.749 13.241 1.00 0.00 O ATOM 801 CB ARG A 55 75.819 -2.738 10.459 1.00 0.00 C ATOM 802 CG ARG A 55 76.998 -2.558 11.420 1.00 0.00 C ATOM 803 CD ARG A 55 78.265 -3.156 10.801 1.00 0.00 C ATOM 804 NE ARG A 55 78.225 -4.613 10.881 1.00 0.00 N ATOM 805 CZ ARG A 55 78.415 -5.383 9.813 1.00 0.00 C ATOM 806 NH1 ARG A 55 77.410 -5.678 9.034 1.00 0.00 N ATOM 807 NH2 ARG A 55 79.599 -5.873 9.562 1.00 0.00 N ATOM 0 H ARG A 55 75.778 -0.286 11.750 1.00 0.00 H new ATOM 0 HA ARG A 55 73.886 -1.870 10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.489 -3.777 10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.134 -2.512 9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.149 -1.499 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.782 -3.045 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.352 -2.844 9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.146 -2.780 11.322 1.00 0.00 H new ATOM 0 HE ARG A 55 78.046 -5.054 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 55 76.479 -5.318 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 55 77.556 -6.268 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.379 -5.666 10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 55 79.743 -6.463 8.743 1.00 0.00 H new ATOM 821 N PRO A 56 73.190 -3.233 12.202 1.00 0.00 N ATOM 822 CA PRO A 56 72.528 -3.681 13.460 1.00 0.00 C ATOM 823 C PRO A 56 73.562 -4.003 14.532 1.00 0.00 C ATOM 824 O PRO A 56 74.723 -4.258 14.219 1.00 0.00 O ATOM 825 CB PRO A 56 71.727 -4.926 13.052 1.00 0.00 C ATOM 826 CG PRO A 56 72.086 -5.207 11.629 1.00 0.00 C ATOM 827 CD PRO A 56 72.561 -3.880 11.038 1.00 0.00 C ATOM 0 HA PRO A 56 71.888 -2.912 13.893 1.00 0.00 H new ATOM 0 HB2 PRO A 56 71.975 -5.774 13.690 1.00 0.00 H new ATOM 0 HB3 PRO A 56 70.656 -4.751 13.156 1.00 0.00 H new ATOM 0 HG2 PRO A 56 72.869 -5.963 11.567 1.00 0.00 H new ATOM 0 HG3 PRO A 56 71.227 -5.592 11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 56 73.268 -4.027 10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 56 71.734 -3.291 10.641 1.00 0.00 H new ATOM 835 N SER A 57 73.180 -3.849 15.795 1.00 0.00 N ATOM 836 CA SER A 57 74.087 -4.205 16.878 1.00 0.00 C ATOM 837 C SER A 57 74.362 -5.704 16.859 1.00 0.00 C ATOM 838 O SER A 57 73.440 -6.511 16.738 1.00 0.00 O ATOM 839 CB SER A 57 73.498 -3.783 18.226 1.00 0.00 C ATOM 840 OG SER A 57 73.916 -2.458 18.522 1.00 0.00 O ATOM 0 H SER A 57 72.272 -3.489 16.089 1.00 0.00 H new ATOM 0 HA SER A 57 75.030 -3.677 16.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.410 -3.836 18.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.827 -4.465 19.010 1.00 0.00 H new ATOM 0 HG SER A 57 73.540 -2.181 19.384 1.00 0.00 H new ATOM 846 N GLY A 58 75.606 -6.065 17.155 1.00 0.00 N ATOM 847 CA GLY A 58 75.994 -7.466 17.261 1.00 0.00 C ATOM 848 C GLY A 58 76.946 -7.856 16.135 1.00 0.00 C ATOM 849 O GLY A 58 77.915 -8.580 16.362 1.00 0.00 O ATOM 0 H GLY A 58 76.364 -5.405 17.326 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.473 -7.643 18.224 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.106 -8.097 17.226 1.00 0.00 H new ATOM 853 N VAL A 59 76.720 -7.324 14.937 1.00 0.00 N ATOM 854 CA VAL A 59 77.614 -7.592 13.815 1.00 0.00 C ATOM 855 C VAL A 59 78.875 -6.739 13.943 1.00 0.00 C ATOM 856 O VAL A 59 78.841 -5.669 14.551 1.00 0.00 O ATOM 857 CB VAL A 59 76.898 -7.303 12.488 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.110 -8.524 11.985 1.00 0.00 C ATOM 859 CG2 VAL A 59 75.963 -6.106 12.683 1.00 0.00 C ATOM 0 H VAL A 59 75.934 -6.711 14.719 1.00 0.00 H new ATOM 0 HA VAL A 59 77.901 -8.644 13.828 1.00 0.00 H new ATOM 0 HB VAL A 59 77.647 -7.074 11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.618 -8.277 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.793 -9.359 11.830 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.359 -8.802 12.724 1.00 0.00 H new ATOM 0 HG21 VAL A 59 75.448 -5.890 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.230 -6.339 13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.545 -5.235 12.986 1.00 0.00 H new ATOM 869 N PRO A 60 79.954 -7.135 13.320 1.00 0.00 N ATOM 870 CA PRO A 60 81.247 -6.404 13.427 1.00 0.00 C ATOM 871 C PRO A 60 81.052 -4.911 13.186 1.00 0.00 C ATOM 872 O PRO A 60 80.059 -4.508 12.582 1.00 0.00 O ATOM 873 CB PRO A 60 82.137 -7.037 12.347 1.00 0.00 C ATOM 874 CG PRO A 60 81.362 -8.163 11.734 1.00 0.00 C ATOM 875 CD PRO A 60 80.135 -8.414 12.614 1.00 0.00 C ATOM 0 HA PRO A 60 81.690 -6.485 14.420 1.00 0.00 H new ATOM 0 HB2 PRO A 60 82.407 -6.300 11.591 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.067 -7.403 12.782 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.059 -7.911 10.718 1.00 0.00 H new ATOM 0 HG3 PRO A 60 81.977 -9.061 11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.259 -8.672 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.301 -9.237 13.309 1.00 0.00 H new ATOM 883 N ASP A 61 82.026 -4.101 13.590 1.00 0.00 N ATOM 884 CA ASP A 61 81.959 -2.657 13.384 1.00 0.00 C ATOM 885 C ASP A 61 83.218 -2.165 12.679 1.00 0.00 C ATOM 886 O ASP A 61 83.671 -1.043 12.907 1.00 0.00 O ATOM 887 CB ASP A 61 81.817 -1.953 14.735 1.00 0.00 C ATOM 888 CG ASP A 61 80.389 -2.092 15.253 1.00 0.00 C ATOM 889 OD1 ASP A 61 79.867 -3.194 15.205 1.00 0.00 O ATOM 890 OD2 ASP A 61 79.833 -1.092 15.677 1.00 0.00 O ATOM 0 H ASP A 61 82.872 -4.420 14.062 1.00 0.00 H new ATOM 0 HA ASP A 61 81.095 -2.428 12.761 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.516 -2.383 15.453 1.00 0.00 H new ATOM 0 HB3 ASP A 61 82.074 -0.899 14.633 1.00 0.00 H new ATOM 895 N ARG A 62 83.744 -2.990 11.780 1.00 0.00 N ATOM 896 CA ARG A 62 84.962 -2.642 11.060 1.00 0.00 C ATOM 897 C ARG A 62 84.658 -1.636 9.954 1.00 0.00 C ATOM 898 O ARG A 62 85.570 -1.057 9.367 1.00 0.00 O ATOM 899 CB ARG A 62 85.577 -3.901 10.447 1.00 0.00 C ATOM 900 CG ARG A 62 85.829 -4.937 11.544 1.00 0.00 C ATOM 901 CD ARG A 62 86.251 -6.255 10.893 1.00 0.00 C ATOM 902 NE ARG A 62 87.482 -6.058 10.135 1.00 0.00 N ATOM 903 CZ ARG A 62 87.545 -6.293 8.827 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.215 -5.361 7.976 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.833 -7.491 8.396 1.00 0.00 N ATOM 0 H ARG A 62 83.349 -3.898 11.534 1.00 0.00 H new ATOM 0 HA ARG A 62 85.666 -2.194 11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.909 -4.313 9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.512 -3.653 9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.606 -4.586 12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 62 84.928 -5.082 12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.401 -7.017 11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.461 -6.616 10.234 1.00 0.00 H new ATOM 0 HE ARG A 62 88.317 -5.731 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.907 -4.449 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.265 -5.545 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.009 -8.244 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 62 87.882 -7.674 7.394 1.00 0.00 H new ATOM 919 N PHE A 63 83.378 -1.501 9.618 1.00 0.00 N ATOM 920 CA PHE A 63 82.953 -0.612 8.540 1.00 0.00 C ATOM 921 C PHE A 63 82.023 0.463 9.089 1.00 0.00 C ATOM 922 O PHE A 63 81.181 0.188 9.944 1.00 0.00 O ATOM 923 CB PHE A 63 82.250 -1.413 7.437 1.00 0.00 C ATOM 924 CG PHE A 63 82.772 -2.830 7.417 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.248 -3.774 8.309 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.735 -3.216 6.478 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.713 -5.094 8.285 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.208 -4.534 6.459 1.00 0.00 C ATOM 929 CZ PHE A 63 83.688 -5.475 7.355 1.00 0.00 C ATOM 0 H PHE A 63 82.615 -1.997 10.078 1.00 0.00 H new ATOM 0 HA PHE A 63 83.832 -0.131 8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.173 -1.415 7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.418 -0.941 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.485 -3.483 9.016 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.114 -2.497 5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.320 -5.818 8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.973 -4.824 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.039 -6.496 7.329 1.00 0.00 H new ATOM 939 N SER A 64 82.112 1.662 8.518 1.00 0.00 N ATOM 940 CA SER A 64 81.226 2.752 8.922 1.00 0.00 C ATOM 941 C SER A 64 80.765 3.533 7.698 1.00 0.00 C ATOM 942 O SER A 64 81.591 4.092 6.983 1.00 0.00 O ATOM 943 CB SER A 64 81.952 3.701 9.877 1.00 0.00 C ATOM 944 OG SER A 64 81.018 4.613 10.436 1.00 0.00 O ATOM 0 H SER A 64 82.779 1.902 7.784 1.00 0.00 H new ATOM 0 HA SER A 64 80.362 2.322 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.442 3.134 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.733 4.244 9.344 1.00 0.00 H new ATOM 0 HG SER A 64 81.481 5.221 11.050 1.00 0.00 H new ATOM 950 N GLY A 65 79.454 3.640 7.506 1.00 0.00 N ATOM 951 CA GLY A 65 78.902 4.336 6.350 1.00 0.00 C ATOM 952 C GLY A 65 78.511 5.760 6.729 1.00 0.00 C ATOM 953 O GLY A 65 77.923 5.990 7.786 1.00 0.00 O ATOM 0 H GLY A 65 78.753 3.253 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.635 4.355 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.030 3.799 5.976 1.00 0.00 H new ATOM 957 N SER A 66 78.779 6.707 5.835 1.00 0.00 N ATOM 958 CA SER A 66 78.417 8.101 6.071 1.00 0.00 C ATOM 959 C SER A 66 77.891 8.727 4.785 1.00 0.00 C ATOM 960 O SER A 66 78.137 8.223 3.689 1.00 0.00 O ATOM 961 CB SER A 66 79.644 8.880 6.549 1.00 0.00 C ATOM 962 OG SER A 66 80.439 9.243 5.431 1.00 0.00 O ATOM 0 H SER A 66 79.244 6.536 4.943 1.00 0.00 H new ATOM 0 HA SER A 66 77.640 8.140 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.333 9.772 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.227 8.272 7.241 1.00 0.00 H new ATOM 0 HG SER A 66 81.017 8.491 5.182 1.00 0.00 H new ATOM 968 N ILE A 67 77.137 9.813 4.930 1.00 0.00 N ATOM 969 CA ILE A 67 76.540 10.486 3.782 1.00 0.00 C ATOM 970 C ILE A 67 76.796 11.988 3.846 1.00 0.00 C ATOM 971 O ILE A 67 76.782 12.583 4.923 1.00 0.00 O ATOM 972 CB ILE A 67 75.037 10.203 3.732 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.361 10.748 4.994 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.784 8.695 3.608 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.848 10.514 4.948 1.00 0.00 C ATOM 0 H ILE A 67 76.926 10.245 5.830 1.00 0.00 H new ATOM 0 HA ILE A 67 77.002 10.100 2.873 1.00 0.00 H new ATOM 0 HB ILE A 67 74.614 10.701 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.781 10.263 5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.565 11.814 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.711 8.508 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.247 8.322 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.214 8.182 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.391 10.910 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.428 11.021 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.647 9.445 4.877 1.00 0.00 H new ATOM 987 N ASP A 68 77.049 12.592 2.688 1.00 0.00 N ATOM 988 CA ASP A 68 77.285 14.030 2.606 1.00 0.00 C ATOM 989 C ASP A 68 76.234 14.685 1.714 1.00 0.00 C ATOM 990 O ASP A 68 76.491 14.974 0.545 1.00 0.00 O ATOM 991 CB ASP A 68 78.675 14.293 2.024 1.00 0.00 C ATOM 992 CG ASP A 68 79.720 13.478 2.779 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.640 13.431 3.996 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.589 12.919 2.131 1.00 0.00 O ATOM 0 H ASP A 68 77.096 12.107 1.792 1.00 0.00 H new ATOM 0 HA ASP A 68 77.221 14.454 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.691 14.030 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.912 15.355 2.092 1.00 0.00 H new ATOM 999 N SER A 69 75.073 14.968 2.296 1.00 0.00 N ATOM 1000 CA SER A 69 73.993 15.613 1.559 1.00 0.00 C ATOM 1001 C SER A 69 74.488 16.891 0.891 1.00 0.00 C ATOM 1002 O SER A 69 74.042 17.247 -0.199 1.00 0.00 O ATOM 1003 CB SER A 69 72.841 15.924 2.519 1.00 0.00 C ATOM 1004 OG SER A 69 72.751 14.890 3.488 1.00 0.00 O ATOM 0 H SER A 69 74.857 14.762 3.271 1.00 0.00 H new ATOM 0 HA SER A 69 73.641 14.939 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 69 73.008 16.884 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.904 16.005 1.968 1.00 0.00 H new ATOM 0 HG SER A 69 72.016 15.084 4.107 1.00 0.00 H new ATOM 1010 N SER A 70 75.390 17.596 1.565 1.00 0.00 N ATOM 1011 CA SER A 70 75.933 18.835 1.022 1.00 0.00 C ATOM 1012 C SER A 70 76.750 18.570 -0.237 1.00 0.00 C ATOM 1013 O SER A 70 76.551 19.215 -1.265 1.00 0.00 O ATOM 1014 CB SER A 70 76.847 19.481 2.061 1.00 0.00 C ATOM 1015 OG SER A 70 76.081 19.892 3.185 1.00 0.00 O ATOM 0 H SER A 70 75.758 17.334 2.480 1.00 0.00 H new ATOM 0 HA SER A 70 75.100 19.492 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.616 18.774 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.360 20.339 1.625 1.00 0.00 H new ATOM 0 HG SER A 70 76.671 20.304 3.850 1.00 0.00 H new ATOM 1021 N SER A 71 77.685 17.629 -0.142 1.00 0.00 N ATOM 1022 CA SER A 71 78.522 17.287 -1.286 1.00 0.00 C ATOM 1023 C SER A 71 77.774 16.336 -2.213 1.00 0.00 C ATOM 1024 O SER A 71 78.234 16.039 -3.316 1.00 0.00 O ATOM 1025 CB SER A 71 79.815 16.619 -0.815 1.00 0.00 C ATOM 1026 OG SER A 71 80.430 15.956 -1.911 1.00 0.00 O ATOM 0 H SER A 71 77.880 17.096 0.705 1.00 0.00 H new ATOM 0 HA SER A 71 78.766 18.204 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.493 17.365 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.600 15.906 -0.019 1.00 0.00 H new ATOM 0 HG SER A 71 79.960 16.188 -2.739 1.00 0.00 H new ATOM 1032 N ASN A 72 76.606 15.883 -1.769 1.00 0.00 N ATOM 1033 CA ASN A 72 75.817 14.963 -2.580 1.00 0.00 C ATOM 1034 C ASN A 72 76.610 13.692 -2.869 1.00 0.00 C ATOM 1035 O ASN A 72 76.520 13.130 -3.960 1.00 0.00 O ATOM 1036 CB ASN A 72 75.424 15.642 -3.895 1.00 0.00 C ATOM 1037 CG ASN A 72 74.229 14.933 -4.523 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.084 15.309 -4.270 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.430 13.931 -5.335 1.00 0.00 N ATOM 0 H ASN A 72 76.191 16.131 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 72 74.916 14.693 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.179 16.688 -3.712 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.267 15.628 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 72 73.636 13.455 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.381 13.624 -5.541 1.00 0.00 H new ATOM 1046 N SER A 73 77.450 13.295 -1.917 1.00 0.00 N ATOM 1047 CA SER A 73 78.290 12.111 -2.080 1.00 0.00 C ATOM 1048 C SER A 73 78.405 11.352 -0.761 1.00 0.00 C ATOM 1049 O SER A 73 78.123 11.895 0.306 1.00 0.00 O ATOM 1050 CB SER A 73 79.683 12.518 -2.568 1.00 0.00 C ATOM 1051 OG SER A 73 80.687 11.882 -1.791 1.00 0.00 O ATOM 0 H SER A 73 77.567 13.775 -1.025 1.00 0.00 H new ATOM 0 HA SER A 73 77.828 11.458 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.801 12.247 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.796 13.600 -2.503 1.00 0.00 H new ATOM 0 HG SER A 73 81.572 12.151 -2.116 1.00 0.00 H new ATOM 1057 N ALA A 74 78.695 10.057 -0.853 1.00 0.00 N ATOM 1058 CA ALA A 74 78.738 9.195 0.324 1.00 0.00 C ATOM 1059 C ALA A 74 80.155 8.670 0.529 1.00 0.00 C ATOM 1060 O ALA A 74 80.949 8.615 -0.409 1.00 0.00 O ATOM 1061 CB ALA A 74 77.750 8.034 0.149 1.00 0.00 C ATOM 0 H ALA A 74 78.904 9.582 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 74 78.451 9.768 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.784 7.392 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.742 8.430 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.022 7.455 -0.734 1.00 0.00 H new ATOM 1067 N SER A 75 80.487 8.375 1.782 1.00 0.00 N ATOM 1068 CA SER A 75 81.817 7.879 2.118 1.00 0.00 C ATOM 1069 C SER A 75 81.761 6.933 3.312 1.00 0.00 C ATOM 1070 O SER A 75 81.117 7.233 4.317 1.00 0.00 O ATOM 1071 CB SER A 75 82.738 9.053 2.449 1.00 0.00 C ATOM 1072 OG SER A 75 82.809 9.923 1.329 1.00 0.00 O ATOM 0 H SER A 75 79.857 8.470 2.578 1.00 0.00 H new ATOM 0 HA SER A 75 82.204 7.334 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.362 9.591 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.733 8.689 2.705 1.00 0.00 H new ATOM 0 HG SER A 75 83.398 10.678 1.538 1.00 0.00 H new ATOM 1078 N LEU A 76 82.431 5.788 3.198 1.00 0.00 N ATOM 1079 CA LEU A 76 82.514 4.825 4.291 1.00 0.00 C ATOM 1080 C LEU A 76 83.879 4.916 4.966 1.00 0.00 C ATOM 1081 O LEU A 76 84.889 5.143 4.303 1.00 0.00 O ATOM 1082 CB LEU A 76 82.205 3.411 3.780 1.00 0.00 C ATOM 1083 CG LEU A 76 83.041 2.339 4.490 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.424 0.963 4.224 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.503 2.372 4.021 1.00 0.00 C ATOM 0 H LEU A 76 82.927 5.504 2.353 1.00 0.00 H new ATOM 0 HA LEU A 76 81.764 5.063 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.146 3.198 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.395 3.365 2.708 1.00 0.00 H new ATOM 0 HG LEU A 76 83.036 2.542 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.014 0.196 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.403 0.942 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.415 0.769 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.070 1.601 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.545 2.190 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.933 3.349 4.240 1.00 0.00 H new ATOM 1097 N THR A 77 83.885 4.844 6.294 1.00 0.00 N ATOM 1098 CA THR A 77 85.133 4.831 7.049 1.00 0.00 C ATOM 1099 C THR A 77 85.328 3.490 7.753 1.00 0.00 C ATOM 1100 O THR A 77 84.552 3.110 8.628 1.00 0.00 O ATOM 1101 CB THR A 77 85.089 5.951 8.092 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.887 7.199 7.446 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.408 5.980 8.866 1.00 0.00 C ATOM 0 H THR A 77 83.043 4.794 6.867 1.00 0.00 H new ATOM 0 HA THR A 77 85.965 4.983 6.362 1.00 0.00 H new ATOM 0 HB THR A 77 84.267 5.768 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.858 7.913 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.377 6.777 9.609 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.557 5.023 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.232 6.160 8.175 1.00 0.00 H new ATOM 1111 N ILE A 78 86.358 2.751 7.355 1.00 0.00 N ATOM 1112 CA ILE A 78 86.665 1.457 7.961 1.00 0.00 C ATOM 1113 C ILE A 78 87.818 1.615 8.949 1.00 0.00 C ATOM 1114 O ILE A 78 88.811 2.274 8.644 1.00 0.00 O ATOM 1115 CB ILE A 78 87.034 0.486 6.834 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.790 -0.206 6.269 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.038 -0.578 7.292 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.082 -0.776 4.878 1.00 0.00 C ATOM 0 H ILE A 78 86.999 3.027 6.611 1.00 0.00 H new ATOM 0 HA ILE A 78 85.807 1.069 8.510 1.00 0.00 H new ATOM 0 HB ILE A 78 87.501 1.087 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.476 -1.007 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.965 0.504 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.269 -1.243 6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.952 -0.093 7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.608 -1.156 8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.188 -1.265 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.374 0.032 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.892 -1.502 4.945 1.00 0.00 H new ATOM 1130 N SER A 79 87.764 0.865 10.048 1.00 0.00 N ATOM 1131 CA SER A 79 88.815 0.907 11.062 1.00 0.00 C ATOM 1132 C SER A 79 89.340 -0.495 11.356 1.00 0.00 C ATOM 1133 O SER A 79 88.624 -1.484 11.202 1.00 0.00 O ATOM 1134 CB SER A 79 88.272 1.546 12.342 1.00 0.00 C ATOM 1135 OG SER A 79 89.344 2.116 13.077 1.00 0.00 O ATOM 0 H SER A 79 87.002 0.220 10.259 1.00 0.00 H new ATOM 0 HA SER A 79 89.642 1.507 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.538 2.313 12.095 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.760 0.797 12.946 1.00 0.00 H new ATOM 0 HG SER A 79 88.997 2.527 13.896 1.00 0.00 H new ATOM 1141 N GLY A 80 90.624 -0.574 11.694 1.00 0.00 N ATOM 1142 CA GLY A 80 91.253 -1.851 12.010 1.00 0.00 C ATOM 1143 C GLY A 80 91.054 -2.859 10.882 1.00 0.00 C ATOM 1144 O GLY A 80 90.391 -3.881 11.059 1.00 0.00 O ATOM 0 H GLY A 80 91.248 0.231 11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.319 -1.701 12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.832 -2.248 12.934 1.00 0.00 H new ATOM 1148 N LEU A 81 91.538 -2.507 9.695 1.00 0.00 N ATOM 1149 CA LEU A 81 91.415 -3.385 8.537 1.00 0.00 C ATOM 1150 C LEU A 81 92.378 -4.563 8.647 1.00 0.00 C ATOM 1151 O LEU A 81 93.425 -4.456 9.287 1.00 0.00 O ATOM 1152 CB LEU A 81 91.653 -2.577 7.256 1.00 0.00 C ATOM 1153 CG LEU A 81 93.150 -2.456 6.925 1.00 0.00 C ATOM 1154 CD1 LEU A 81 93.614 -3.577 5.985 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.428 -1.114 6.242 1.00 0.00 C ATOM 0 H LEU A 81 92.016 -1.625 9.510 1.00 0.00 H new ATOM 0 HA LEU A 81 90.407 -3.798 8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.135 -3.054 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.225 -1.581 7.370 1.00 0.00 H new ATOM 0 HG LEU A 81 93.696 -2.531 7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.677 -3.458 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.444 -4.543 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.051 -3.527 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.490 -1.036 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.850 -1.049 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.141 -0.300 6.908 1.00 0.00 H new ATOM 1167 N LYS A 82 92.108 -5.618 7.883 1.00 0.00 N ATOM 1168 CA LYS A 82 93.019 -6.755 7.802 1.00 0.00 C ATOM 1169 C LYS A 82 92.915 -7.425 6.436 1.00 0.00 C ATOM 1170 O LYS A 82 91.965 -7.192 5.689 1.00 0.00 O ATOM 1171 CB LYS A 82 92.689 -7.767 8.905 1.00 0.00 C ATOM 1172 CG LYS A 82 93.397 -7.386 10.207 1.00 0.00 C ATOM 1173 CD LYS A 82 93.076 -8.423 11.286 1.00 0.00 C ATOM 1174 CE LYS A 82 94.092 -8.311 12.425 1.00 0.00 C ATOM 1175 NZ LYS A 82 94.134 -6.909 12.924 1.00 0.00 N ATOM 0 H LYS A 82 91.267 -5.709 7.312 1.00 0.00 H new ATOM 0 HA LYS A 82 94.039 -6.395 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.611 -7.801 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.997 -8.766 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.474 -7.335 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.076 -6.396 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.068 -8.265 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.102 -9.426 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.820 -8.988 13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.079 -8.613 12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.559 -6.891 13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.705 -6.328 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.167 -6.528 12.970 1.00 0.00 H new ATOM 1189 N THR A 83 93.836 -8.346 6.168 1.00 0.00 N ATOM 1190 CA THR A 83 93.838 -9.041 4.891 1.00 0.00 C ATOM 1191 C THR A 83 92.531 -9.797 4.690 1.00 0.00 C ATOM 1192 O THR A 83 92.023 -9.912 3.575 1.00 0.00 O ATOM 1193 CB THR A 83 95.010 -10.026 4.843 1.00 0.00 C ATOM 1194 OG1 THR A 83 96.082 -9.518 5.625 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.495 -10.222 3.404 1.00 0.00 C ATOM 0 H THR A 83 94.579 -8.623 6.809 1.00 0.00 H new ATOM 0 HA THR A 83 93.943 -8.304 4.095 1.00 0.00 H new ATOM 0 HB THR A 83 94.674 -10.985 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 83 96.833 -10.147 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.328 -10.925 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.680 -10.615 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.823 -9.265 2.997 1.00 0.00 H new ATOM 1203 N GLU A 84 92.035 -10.365 5.782 1.00 0.00 N ATOM 1204 CA GLU A 84 90.775 -11.097 5.753 1.00 0.00 C ATOM 1205 C GLU A 84 89.664 -10.216 5.190 1.00 0.00 C ATOM 1206 O GLU A 84 88.525 -10.660 5.041 1.00 0.00 O ATOM 1207 CB GLU A 84 90.413 -11.556 7.167 1.00 0.00 C ATOM 1208 CG GLU A 84 91.576 -12.357 7.757 1.00 0.00 C ATOM 1209 CD GLU A 84 91.204 -12.872 9.144 1.00 0.00 C ATOM 1210 OE1 GLU A 84 90.740 -12.077 9.945 1.00 0.00 O ATOM 1211 OE2 GLU A 84 91.430 -14.044 9.399 1.00 0.00 O ATOM 0 H GLU A 84 92.485 -10.333 6.697 1.00 0.00 H new ATOM 0 HA GLU A 84 90.887 -11.970 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.196 -10.693 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.511 -12.168 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 84 91.821 -13.194 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 84 92.466 -11.730 7.819 1.00 0.00 H new ATOM 1218 N ASP A 85 90.012 -8.984 4.828 1.00 0.00 N ATOM 1219 CA ASP A 85 89.053 -8.044 4.258 1.00 0.00 C ATOM 1220 C ASP A 85 89.306 -7.915 2.760 1.00 0.00 C ATOM 1221 O ASP A 85 88.421 -7.513 2.006 1.00 0.00 O ATOM 1222 CB ASP A 85 89.202 -6.675 4.928 1.00 0.00 C ATOM 1223 CG ASP A 85 89.470 -6.822 6.423 1.00 0.00 C ATOM 1224 OD1 ASP A 85 89.646 -7.939 6.881 1.00 0.00 O ATOM 1225 OD2 ASP A 85 89.490 -5.807 7.097 1.00 0.00 O ATOM 0 H ASP A 85 90.957 -8.612 4.920 1.00 0.00 H new ATOM 0 HA ASP A 85 88.041 -8.411 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.019 -6.125 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.295 -6.090 4.774 1.00 0.00 H new ATOM 1230 N GLU A 86 90.498 -8.318 2.329 1.00 0.00 N ATOM 1231 CA GLU A 86 90.847 -8.230 0.915 1.00 0.00 C ATOM 1232 C GLU A 86 89.766 -8.870 0.053 1.00 0.00 C ATOM 1233 O GLU A 86 89.456 -10.051 0.209 1.00 0.00 O ATOM 1234 CB GLU A 86 92.182 -8.933 0.661 1.00 0.00 C ATOM 1235 CG GLU A 86 92.483 -8.981 -0.841 1.00 0.00 C ATOM 1236 CD GLU A 86 93.980 -9.160 -1.074 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.750 -8.567 -0.336 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.336 -9.866 -2.003 1.00 0.00 O ATOM 0 H GLU A 86 91.228 -8.703 2.928 1.00 0.00 H new ATOM 0 HA GLU A 86 90.932 -7.176 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.982 -8.407 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.150 -9.945 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 91.935 -9.802 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.141 -8.062 -1.317 1.00 0.00 H new ATOM 1245 N ALA A 87 89.176 -8.070 -0.829 1.00 0.00 N ATOM 1246 CA ALA A 87 88.142 -8.573 -1.724 1.00 0.00 C ATOM 1247 C ALA A 87 87.519 -7.431 -2.520 1.00 0.00 C ATOM 1248 O ALA A 87 88.055 -6.324 -2.561 1.00 0.00 O ATOM 1249 CB ALA A 87 87.077 -9.302 -0.900 1.00 0.00 C ATOM 0 H ALA A 87 89.394 -7.080 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 87 88.587 -9.270 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.300 -9.681 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.536 -10.134 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.636 -8.610 -0.182 1.00 0.00 H new ATOM 1255 N ASP A 88 86.413 -7.724 -3.198 1.00 0.00 N ATOM 1256 CA ASP A 88 85.733 -6.731 -4.021 1.00 0.00 C ATOM 1257 C ASP A 88 84.659 -6.008 -3.215 1.00 0.00 C ATOM 1258 O ASP A 88 83.956 -6.610 -2.404 1.00 0.00 O ATOM 1259 CB ASP A 88 85.108 -7.405 -5.245 1.00 0.00 C ATOM 1260 CG ASP A 88 86.144 -8.273 -5.954 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.055 -8.740 -5.290 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.006 -8.463 -7.151 1.00 0.00 O ATOM 0 H ASP A 88 85.969 -8.642 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 88 86.466 -5.996 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.259 -8.016 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.726 -6.649 -5.931 1.00 0.00 H new ATOM 1267 N TYR A 89 84.569 -4.699 -3.425 1.00 0.00 N ATOM 1268 CA TYR A 89 83.597 -3.853 -2.739 1.00 0.00 C ATOM 1269 C TYR A 89 82.571 -3.335 -3.742 1.00 0.00 C ATOM 1270 O TYR A 89 82.870 -3.147 -4.921 1.00 0.00 O ATOM 1271 CB TYR A 89 84.322 -2.681 -2.062 1.00 0.00 C ATOM 1272 CG TYR A 89 84.474 -2.923 -0.578 1.00 0.00 C ATOM 1273 CD1 TYR A 89 83.389 -2.694 0.277 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.690 -3.383 -0.060 1.00 0.00 C ATOM 1275 CE1 TYR A 89 83.500 -2.969 1.645 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.805 -3.645 1.310 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.714 -3.439 2.161 1.00 0.00 C ATOM 1278 OH TYR A 89 84.841 -3.682 3.513 1.00 0.00 O ATOM 0 H TYR A 89 85.169 -4.193 -4.077 1.00 0.00 H new ATOM 0 HA TYR A 89 83.080 -4.435 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.304 -2.546 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.765 -1.759 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.464 -2.304 -0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.536 -3.535 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 89 82.654 -2.819 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.740 -4.008 1.712 1.00 0.00 H new ATOM 0 HH TYR A 89 84.082 -3.286 3.989 1.00 0.00 H new ATOM 1288 N TYR A 90 81.354 -3.110 -3.256 1.00 0.00 N ATOM 1289 CA TYR A 90 80.267 -2.625 -4.099 1.00 0.00 C ATOM 1290 C TYR A 90 79.472 -1.546 -3.369 1.00 0.00 C ATOM 1291 O TYR A 90 79.388 -1.536 -2.141 1.00 0.00 O ATOM 1292 CB TYR A 90 79.357 -3.792 -4.495 1.00 0.00 C ATOM 1293 CG TYR A 90 79.962 -4.553 -5.652 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.056 -5.401 -5.436 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.446 -4.394 -6.944 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.626 -6.096 -6.510 1.00 0.00 C ATOM 1297 CE2 TYR A 90 80.041 -5.059 -8.023 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.110 -5.936 -7.801 1.00 0.00 C ATOM 1299 OH TYR A 90 81.681 -6.609 -8.862 1.00 0.00 O ATOM 0 H TYR A 90 81.096 -3.256 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 90 80.686 -2.186 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.217 -4.459 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.372 -3.417 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.460 -5.519 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.589 -3.758 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.464 -6.756 -6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 90 79.676 -4.896 -9.026 1.00 0.00 H new ATOM 0 HH TYR A 90 81.201 -6.387 -9.687 1.00 0.00 H new ATOM 1309 N CYS A 91 78.784 -0.726 -4.155 1.00 0.00 N ATOM 1310 CA CYS A 91 77.989 0.386 -3.643 1.00 0.00 C ATOM 1311 C CYS A 91 76.546 0.174 -4.089 1.00 0.00 C ATOM 1312 O CYS A 91 76.311 -0.209 -5.234 1.00 0.00 O ATOM 1313 CB CYS A 91 78.551 1.666 -4.269 1.00 0.00 C ATOM 1314 SG CYS A 91 78.347 3.137 -3.237 1.00 0.00 S ATOM 0 H CYS A 91 78.761 -0.814 -5.171 1.00 0.00 H new ATOM 0 HA CYS A 91 78.025 0.453 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.612 1.523 -4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 91 78.061 1.836 -5.227 1.00 0.00 H new ATOM 1319 N GLN A 92 75.581 0.499 -3.233 1.00 0.00 N ATOM 1320 CA GLN A 92 74.172 0.338 -3.580 1.00 0.00 C ATOM 1321 C GLN A 92 73.392 1.609 -3.267 1.00 0.00 C ATOM 1322 O GLN A 92 73.485 2.153 -2.167 1.00 0.00 O ATOM 1323 CB GLN A 92 73.557 -0.833 -2.810 1.00 0.00 C ATOM 1324 CG GLN A 92 74.113 -2.161 -3.329 1.00 0.00 C ATOM 1325 CD GLN A 92 73.219 -3.315 -2.886 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.149 -3.071 -2.180 1.00 0.00 O flip ATOM 1327 NE2 GLN A 92 73.478 -4.466 -3.236 1.00 0.00 N flip ATOM 0 H GLN A 92 75.747 0.873 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 92 74.114 0.135 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.773 -0.731 -1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.472 -0.818 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.176 -2.137 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.126 -2.311 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.315 -4.655 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.856 -5.231 -2.974 1.00 0.00 H new ATOM 1336 N SER A 93 72.631 2.073 -4.255 1.00 0.00 N ATOM 1337 CA SER A 93 71.800 3.264 -4.108 1.00 0.00 C ATOM 1338 C SER A 93 70.376 2.982 -4.572 1.00 0.00 C ATOM 1339 O SER A 93 70.114 1.976 -5.231 1.00 0.00 O ATOM 1340 CB SER A 93 72.377 4.414 -4.936 1.00 0.00 C ATOM 1341 OG SER A 93 72.456 4.017 -6.296 1.00 0.00 O ATOM 0 H SER A 93 72.573 1.637 -5.175 1.00 0.00 H new ATOM 0 HA SER A 93 71.787 3.542 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.748 5.299 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.366 4.684 -4.566 1.00 0.00 H new ATOM 0 HG SER A 93 72.670 4.795 -6.852 1.00 0.00 H new ATOM 1347 N TYR A 94 69.445 3.841 -4.165 1.00 0.00 N ATOM 1348 CA TYR A 94 68.041 3.694 -4.537 1.00 0.00 C ATOM 1349 C TYR A 94 67.514 4.988 -5.148 1.00 0.00 C ATOM 1350 O TYR A 94 67.902 6.085 -4.745 1.00 0.00 O ATOM 1351 CB TYR A 94 67.217 3.331 -3.297 1.00 0.00 C ATOM 1352 CG TYR A 94 67.292 1.844 -3.046 1.00 0.00 C ATOM 1353 CD1 TYR A 94 66.457 0.979 -3.763 1.00 0.00 C ATOM 1354 CD2 TYR A 94 68.218 1.327 -2.133 1.00 0.00 C ATOM 1355 CE1 TYR A 94 66.523 -0.401 -3.541 1.00 0.00 C ATOM 1356 CE2 TYR A 94 68.289 -0.054 -1.915 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.445 -0.918 -2.623 1.00 0.00 C ATOM 1358 OH TYR A 94 67.491 -2.276 -2.387 1.00 0.00 O ATOM 0 H TYR A 94 69.639 4.650 -3.575 1.00 0.00 H new ATOM 0 HA TYR A 94 67.953 2.899 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.591 3.874 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.179 3.633 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.762 1.377 -4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 94 68.878 1.993 -1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.863 -1.067 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 94 68.994 -0.453 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 94 68.186 -2.469 -1.724 1.00 0.00 H new ATOM 1368 N ASP A 95 66.659 4.843 -6.156 1.00 0.00 N ATOM 1369 CA ASP A 95 66.009 5.983 -6.796 1.00 0.00 C ATOM 1370 C ASP A 95 64.537 6.036 -6.401 1.00 0.00 C ATOM 1371 O ASP A 95 64.085 5.263 -5.556 1.00 0.00 O ATOM 1372 CB ASP A 95 66.122 5.860 -8.317 1.00 0.00 C ATOM 1373 CG ASP A 95 65.735 4.452 -8.757 1.00 0.00 C ATOM 1374 OD1 ASP A 95 65.362 3.667 -7.901 1.00 0.00 O ATOM 1375 OD2 ASP A 95 65.773 4.196 -9.950 1.00 0.00 O ATOM 0 H ASP A 95 66.398 3.939 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 95 66.503 6.898 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.473 6.592 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 95 67.141 6.081 -8.633 1.00 0.00 H new ATOM 1380 N SER A 96 63.803 6.978 -6.984 1.00 0.00 N ATOM 1381 CA SER A 96 62.385 7.118 -6.677 1.00 0.00 C ATOM 1382 C SER A 96 61.606 5.902 -7.165 1.00 0.00 C ATOM 1383 O SER A 96 60.499 5.634 -6.697 1.00 0.00 O ATOM 1384 CB SER A 96 61.825 8.379 -7.337 1.00 0.00 C ATOM 1385 OG SER A 96 61.562 8.119 -8.708 1.00 0.00 O ATOM 0 H SER A 96 64.162 7.649 -7.664 1.00 0.00 H new ATOM 0 HA SER A 96 62.277 7.196 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 96 60.910 8.690 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 96 62.537 9.199 -7.241 1.00 0.00 H new ATOM 0 HG SER A 96 61.202 8.926 -9.131 1.00 0.00 H new ATOM 1391 N SER A 97 62.177 5.183 -8.125 1.00 0.00 N ATOM 1392 CA SER A 97 61.524 3.996 -8.666 1.00 0.00 C ATOM 1393 C SER A 97 61.671 2.821 -7.706 1.00 0.00 C ATOM 1394 O SER A 97 61.109 1.749 -7.930 1.00 0.00 O ATOM 1395 CB SER A 97 62.144 3.634 -10.017 1.00 0.00 C ATOM 1396 OG SER A 97 61.741 4.581 -10.996 1.00 0.00 O ATOM 0 H SER A 97 63.083 5.398 -8.542 1.00 0.00 H new ATOM 0 HA SER A 97 60.464 4.212 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 97 63.231 3.619 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.832 2.633 -10.315 1.00 0.00 H new ATOM 0 HG SER A 97 62.141 4.348 -11.860 1.00 0.00 H new ATOM 1402 N ASN A 98 62.378 3.052 -6.604 1.00 0.00 N ATOM 1403 CA ASN A 98 62.565 2.021 -5.591 1.00 0.00 C ATOM 1404 C ASN A 98 63.216 0.786 -6.205 1.00 0.00 C ATOM 1405 O ASN A 98 62.933 -0.338 -5.791 1.00 0.00 O ATOM 1406 CB ASN A 98 61.214 1.645 -4.974 1.00 0.00 C ATOM 1407 CG ASN A 98 61.391 1.119 -3.553 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.755 1.697 -2.571 1.00 0.00 O flip ATOM 1409 ND2 ASN A 98 62.166 0.191 -3.323 1.00 0.00 N flip ATOM 0 H ASN A 98 62.829 3.942 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 98 63.219 2.411 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.559 2.516 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.728 0.887 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 98 62.663 -0.261 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 98 62.311 -0.127 -2.365 1.00 0.00 H new ATOM 1416 N HIS A 99 64.204 0.999 -7.070 1.00 0.00 N ATOM 1417 CA HIS A 99 64.893 -0.108 -7.727 1.00 0.00 C ATOM 1418 C HIS A 99 66.337 -0.174 -7.241 1.00 0.00 C ATOM 1419 O HIS A 99 66.982 0.852 -7.026 1.00 0.00 O ATOM 1420 CB HIS A 99 64.867 0.085 -9.248 1.00 0.00 C ATOM 1421 CG HIS A 99 63.574 -0.428 -9.821 1.00 0.00 C ATOM 1422 ND1 HIS A 99 62.339 0.028 -9.390 1.00 0.00 N ATOM 1423 CD2 HIS A 99 63.313 -1.353 -10.804 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.400 -0.665 -10.056 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.935 -1.488 -10.961 1.00 0.00 N ATOM 0 H HIS A 99 64.544 1.924 -7.332 1.00 0.00 H new ATOM 0 HA HIS A 99 64.385 -1.040 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.985 1.142 -9.489 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.707 -0.441 -9.702 1.00 0.00 H new ATOM 0 HD1 HIS A 99 62.173 0.756 -8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 99 64.060 -1.892 -11.367 1.00 0.00 H new ATOM 0 HE1 HIS A 99 60.339 -0.568 -9.880 1.00 0.00 H new ATOM 1433 N VAL A 100 66.801 -1.393 -6.991 1.00 0.00 N ATOM 1434 CA VAL A 100 68.144 -1.603 -6.464 1.00 0.00 C ATOM 1435 C VAL A 100 69.197 -1.331 -7.533 1.00 0.00 C ATOM 1436 O VAL A 100 69.235 -2.002 -8.564 1.00 0.00 O ATOM 1437 CB VAL A 100 68.281 -3.043 -5.962 1.00 0.00 C ATOM 1438 CG1 VAL A 100 68.002 -4.035 -7.101 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.688 -3.256 -5.391 1.00 0.00 C ATOM 0 H VAL A 100 66.268 -2.249 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 100 68.303 -0.909 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 100 67.550 -3.219 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 100 68.103 -5.054 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.989 -3.884 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.715 -3.871 -7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.784 -4.281 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.428 -3.072 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.853 -2.567 -4.563 1.00 0.00 H new ATOM 1449 N VAL A 101 70.023 -0.314 -7.304 1.00 0.00 N ATOM 1450 CA VAL A 101 71.058 0.079 -8.254 1.00 0.00 C ATOM 1451 C VAL A 101 72.427 -0.201 -7.642 1.00 0.00 C ATOM 1452 O VAL A 101 72.593 -0.131 -6.425 1.00 0.00 O ATOM 1453 CB VAL A 101 70.935 1.577 -8.554 1.00 0.00 C ATOM 1454 CG1 VAL A 101 71.907 1.971 -9.675 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.497 1.941 -8.953 1.00 0.00 C ATOM 0 H VAL A 101 69.994 0.258 -6.460 1.00 0.00 H new ATOM 0 HA VAL A 101 70.942 -0.487 -9.178 1.00 0.00 H new ATOM 0 HB VAL A 101 71.189 2.128 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 101 71.812 3.037 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 101 72.929 1.751 -9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 101 71.672 1.405 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.436 3.009 -9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.214 1.381 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.819 1.691 -8.137 1.00 0.00 H new ATOM 1465 N PHE A 102 73.382 -0.607 -8.476 1.00 0.00 N ATOM 1466 CA PHE A 102 74.741 -0.885 -8.022 1.00 0.00 C ATOM 1467 C PHE A 102 75.747 -0.018 -8.776 1.00 0.00 C ATOM 1468 O PHE A 102 75.591 0.223 -9.973 1.00 0.00 O ATOM 1469 CB PHE A 102 75.048 -2.371 -8.228 1.00 0.00 C ATOM 1470 CG PHE A 102 75.347 -2.655 -9.681 1.00 0.00 C ATOM 1471 CD1 PHE A 102 74.311 -2.659 -10.623 1.00 0.00 C ATOM 1472 CD2 PHE A 102 76.671 -2.841 -10.097 1.00 0.00 C ATOM 1473 CE1 PHE A 102 74.594 -2.911 -11.971 1.00 0.00 C ATOM 1474 CE2 PHE A 102 76.950 -3.121 -11.439 1.00 0.00 C ATOM 1475 CZ PHE A 102 75.917 -3.108 -12.384 1.00 0.00 C ATOM 0 H PHE A 102 73.237 -0.751 -9.475 1.00 0.00 H new ATOM 0 HA PHE A 102 74.822 -0.645 -6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.900 -2.661 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.199 -2.972 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 102 73.295 -2.468 -10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 102 77.477 -2.768 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 102 73.791 -2.953 -12.692 1.00 0.00 H new ATOM 0 HE2 PHE A 102 77.961 -3.347 -11.746 1.00 0.00 H new ATOM 0 HZ PHE A 102 76.141 -3.250 -13.431 1.00 0.00 H new ATOM 1485 N GLY A 103 76.810 0.394 -8.091 1.00 0.00 N ATOM 1486 CA GLY A 103 77.857 1.199 -8.713 1.00 0.00 C ATOM 1487 C GLY A 103 78.938 0.319 -9.331 1.00 0.00 C ATOM 1488 O GLY A 103 78.911 -0.904 -9.193 1.00 0.00 O ATOM 0 H GLY A 103 76.969 0.184 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.420 1.836 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.303 1.858 -7.968 1.00 0.00 H new ATOM 1492 N GLY A 104 79.881 0.951 -10.022 1.00 0.00 N ATOM 1493 CA GLY A 104 80.949 0.215 -10.689 1.00 0.00 C ATOM 1494 C GLY A 104 81.684 -0.678 -9.696 1.00 0.00 C ATOM 1495 O GLY A 104 82.240 -1.712 -10.066 1.00 0.00 O ATOM 0 H GLY A 104 79.928 1.964 -10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.533 -0.391 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.650 0.914 -11.146 1.00 0.00 H new ATOM 1499 N GLY A 105 81.656 -0.285 -8.427 1.00 0.00 N ATOM 1500 CA GLY A 105 82.301 -1.064 -7.378 1.00 0.00 C ATOM 1501 C GLY A 105 83.799 -0.787 -7.338 1.00 0.00 C ATOM 1502 O GLY A 105 84.330 -0.075 -8.191 1.00 0.00 O ATOM 0 H GLY A 105 81.195 0.565 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.856 -0.821 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.128 -2.126 -7.550 1.00 0.00 H new ATOM 1506 N THR A 106 84.467 -1.318 -6.319 1.00 0.00 N ATOM 1507 CA THR A 106 85.904 -1.117 -6.161 1.00 0.00 C ATOM 1508 C THR A 106 86.560 -2.351 -5.555 1.00 0.00 C ATOM 1509 O THR A 106 85.918 -3.107 -4.828 1.00 0.00 O ATOM 1510 CB THR A 106 86.157 0.072 -5.236 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.432 1.192 -5.717 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.656 0.377 -5.215 1.00 0.00 C ATOM 0 H THR A 106 84.038 -1.890 -5.591 1.00 0.00 H new ATOM 0 HA THR A 106 86.331 -0.931 -7.146 1.00 0.00 H new ATOM 0 HB THR A 106 85.827 -0.157 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 106 86.003 1.719 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.846 1.225 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.200 -0.494 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.992 0.618 -6.223 1.00 0.00 H new ATOM 1520 N LYS A 107 87.838 -2.554 -5.860 1.00 0.00 N ATOM 1521 CA LYS A 107 88.580 -3.698 -5.339 1.00 0.00 C ATOM 1522 C LYS A 107 89.629 -3.267 -4.318 1.00 0.00 C ATOM 1523 O LYS A 107 90.567 -2.541 -4.646 1.00 0.00 O ATOM 1524 CB LYS A 107 89.249 -4.444 -6.494 1.00 0.00 C ATOM 1525 CG LYS A 107 89.843 -5.757 -5.979 1.00 0.00 C ATOM 1526 CD LYS A 107 90.275 -6.620 -7.166 1.00 0.00 C ATOM 1527 CE LYS A 107 90.844 -7.944 -6.654 1.00 0.00 C ATOM 1528 NZ LYS A 107 91.611 -8.609 -7.745 1.00 0.00 N ATOM 0 H LYS A 107 88.382 -1.940 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 107 87.876 -4.358 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.522 -4.646 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.032 -3.827 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 107 90.697 -5.554 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.107 -6.290 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 107 89.425 -6.807 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.025 -6.094 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 107 91.492 -7.766 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 107 90.036 -8.593 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 91.998 -9.510 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 90.980 -8.791 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.390 -7.991 -8.048 1.00 0.00 H new ATOM 1542 N LEU A 108 89.472 -3.735 -3.082 1.00 0.00 N ATOM 1543 CA LEU A 108 90.449 -3.484 -2.029 1.00 0.00 C ATOM 1544 C LEU A 108 91.483 -4.604 -1.992 1.00 0.00 C ATOM 1545 O LEU A 108 91.146 -5.757 -1.723 1.00 0.00 O ATOM 1546 CB LEU A 108 89.730 -3.383 -0.679 1.00 0.00 C ATOM 1547 CG LEU A 108 90.731 -3.375 0.482 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.790 -2.288 0.263 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.992 -3.134 1.802 1.00 0.00 C ATOM 0 H LEU A 108 88.672 -4.293 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 108 90.964 -2.545 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.129 -2.474 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.044 -4.222 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 108 91.231 -4.343 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 108 92.494 -2.293 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 108 92.325 -2.483 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 108 91.305 -1.314 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.708 -3.129 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 108 89.479 -2.173 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.262 -3.928 1.961 1.00 0.00 H new ATOM 1561 N THR A 109 92.754 -4.231 -2.109 1.00 0.00 N ATOM 1562 CA THR A 109 93.852 -5.187 -2.010 1.00 0.00 C ATOM 1563 C THR A 109 94.676 -4.926 -0.753 1.00 0.00 C ATOM 1564 O THR A 109 95.214 -3.836 -0.565 1.00 0.00 O ATOM 1565 CB THR A 109 94.743 -5.056 -3.246 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.008 -5.434 -4.400 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.970 -5.958 -3.098 1.00 0.00 C ATOM 0 H THR A 109 93.050 -3.269 -2.273 1.00 0.00 H new ATOM 0 HA THR A 109 93.442 -6.195 -1.952 1.00 0.00 H new ATOM 0 HB THR A 109 95.071 -4.021 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.577 -5.349 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.602 -5.861 -3.981 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.535 -5.662 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.649 -6.994 -2.993 1.00 0.00 H new ATOM 1575 N VAL A 110 94.893 -5.969 0.042 1.00 0.00 N ATOM 1576 CA VAL A 110 95.685 -5.847 1.262 1.00 0.00 C ATOM 1577 C VAL A 110 97.041 -6.522 1.086 1.00 0.00 C ATOM 1578 O VAL A 110 97.159 -7.530 0.389 1.00 0.00 O ATOM 1579 CB VAL A 110 94.940 -6.502 2.430 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.772 -6.411 3.719 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.575 -5.826 2.613 1.00 0.00 C ATOM 0 H VAL A 110 94.533 -6.907 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 110 95.840 -4.789 1.472 1.00 0.00 H new ATOM 0 HB VAL A 110 94.783 -7.557 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.227 -6.881 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.723 -6.923 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.956 -5.364 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 110 93.046 -6.293 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.719 -4.766 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.988 -5.938 1.701 1.00 0.00 H new ATOM 1591 N LEU A 111 98.081 -5.890 1.624 1.00 0.00 N ATOM 1592 CA LEU A 111 99.452 -6.364 1.460 1.00 0.00 C ATOM 1593 C LEU A 111 100.077 -6.564 2.838 1.00 0.00 C ATOM 1594 O LEU A 111 100.716 -7.584 3.035 1.00 0.00 O ATOM 1595 CB LEU A 111 100.285 -5.376 0.627 1.00 0.00 C ATOM 1596 CG LEU A 111 99.392 -4.313 -0.021 1.00 0.00 C ATOM 1597 CD1 LEU A 111 98.992 -3.251 1.012 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.147 -3.652 -1.178 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.962 -5.664 3.653 1.00 0.00 O ATOM 0 H LEU A 111 97.998 -5.040 2.182 1.00 0.00 H new ATOM 0 HA LEU A 111 99.438 -7.312 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 111 101.027 -4.894 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.831 -5.917 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 111 98.488 -4.790 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.358 -2.502 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.446 -3.725 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.888 -2.771 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.513 -2.895 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.055 -3.183 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.411 -4.407 -1.919 1.00 0.00 H new