USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 4:sc= 0.238 USER MOD Set 1.2: A 130 MET CE :methyl -109:sc= -4.36! (180deg=-8.6!) USER MOD Set 2.1: A 110 GLN :FLIP amide:sc= -0.72 F(o=-2.7!,f=-0.81) USER MOD Set 2.2: A 114 GLN :FLIP amide:sc= -0.0891 F(o=-2.1!,f=-0.81) USER MOD Set 3.1: A 99 HIS : no HE2:sc= -1.67! X(o=-1.7!,f=-1.4) USER MOD Set 3.2: A 105 GLN : amide:sc= 0 X(o=-1.7,f=-1.7) USER MOD Set 4.1: A 73 THR OG1 : rot -120:sc= -0.942 USER MOD Set 4.2: A 86 LYS NZ :NH3+ 163:sc= -0.0317 (180deg=-0.257) USER MOD Set 5.1: A 67 TYR OH : rot -107:sc= -0.247 USER MOD Set 5.2: A 72 GLN : amide:sc= -0.641 K(o=-0.89,f=-6.5!) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00495 USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.0393 (180deg=-0.267) USER MOD Single : A 14 SER OG : rot 180:sc= -0.158 USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.15) USER MOD Single : A 20 SER OG : rot 87:sc= 0.915 USER MOD Single : A 21 HIS : no HD1:sc= 0.0833 K(o=0.083,f=-4.2!) USER MOD Single : A 29 THR OG1 : rot 145:sc= -0.482! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 92:sc= 0.313 USER MOD Single : A 37 SER OG : rot 160:sc= 0.621 USER MOD Single : A 40 ASN : amide:sc= 1.17 K(o=1.2,f=-2!) USER MOD Single : A 47 CYS SG : rot -26:sc= -0.373 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.04 (180deg=-0.0864) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.0462 (180deg=-0.374) USER MOD Single : A 57 GLN : amide:sc= -0.219 K(o=-0.22,f=-7!) USER MOD Single : A 58 GLN : amide:sc=-0.00471 K(o=-0.0047,f=-0.54) USER MOD Single : A 60 HIS :FLIP no HD1:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 1.42 (180deg=1.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= 2.28 (180deg=0.748) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 84 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.3!) USER MOD Single : A 85 THR OG1 : rot 63:sc= 1.16 USER MOD Single : A 90 THR OG1 : rot 2:sc= 1.28 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 92 SER OG : rot 91:sc= 1.22 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.285 F(o=-1.1,f=-0.28) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0474 USER MOD Single : A 100 SER OG : rot -14:sc= -0.081 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 130:sc= -0.118 USER MOD Single : A 112 MET CE :methyl -133:sc= -2.38 (180deg=-4.56!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 20:sc= 1.3 USER MOD Single : A 118 THR OG1 : rot -125:sc= 1.15 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -62:sc= -1.21! USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.854 6.481 4.508 1.00 0.00 N ATOM 32 CA VAL A 3 141.590 6.600 3.099 1.00 0.00 C ATOM 33 C VAL A 3 142.100 7.930 2.548 1.00 0.00 C ATOM 34 O VAL A 3 141.672 9.011 2.971 1.00 0.00 O ATOM 35 CB VAL A 3 140.072 6.350 2.722 1.00 0.00 C ATOM 36 CG1 VAL A 3 139.133 7.276 3.468 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.853 6.523 1.234 1.00 0.00 C ATOM 0 HA VAL A 3 142.150 5.800 2.615 1.00 0.00 H new ATOM 0 HB VAL A 3 139.847 5.325 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 3 138.105 7.065 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 3 139.244 7.119 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.374 8.311 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.804 6.347 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.125 7.537 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.472 5.810 0.690 1.00 0.00 H new ATOM 47 N SER A 4 143.064 7.835 1.666 1.00 0.00 N ATOM 48 CA SER A 4 143.588 8.964 0.940 1.00 0.00 C ATOM 49 C SER A 4 142.448 9.546 0.092 1.00 0.00 C ATOM 50 O SER A 4 141.588 8.800 -0.363 1.00 0.00 O ATOM 51 CB SER A 4 144.750 8.466 0.039 1.00 0.00 C ATOM 52 OG SER A 4 145.282 9.484 -0.811 1.00 0.00 O ATOM 0 H SER A 4 143.515 6.952 1.428 1.00 0.00 H new ATOM 0 HA SER A 4 143.969 9.736 1.609 1.00 0.00 H new ATOM 0 HB2 SER A 4 145.548 8.075 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.395 7.638 -0.575 1.00 0.00 H new ATOM 0 HG SER A 4 146.010 9.112 -1.352 1.00 0.00 H new ATOM 58 N PRO A 5 142.398 10.872 -0.121 1.00 0.00 N ATOM 59 CA PRO A 5 141.352 11.499 -0.934 1.00 0.00 C ATOM 60 C PRO A 5 141.315 10.915 -2.346 1.00 0.00 C ATOM 61 O PRO A 5 140.269 10.825 -2.961 1.00 0.00 O ATOM 62 CB PRO A 5 141.747 12.977 -0.968 1.00 0.00 C ATOM 63 CG PRO A 5 143.154 13.025 -0.490 1.00 0.00 C ATOM 64 CD PRO A 5 143.319 11.864 0.433 1.00 0.00 C ATOM 0 HA PRO A 5 140.356 11.335 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 5 141.661 13.383 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.095 13.572 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.851 12.961 -1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.359 13.964 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.346 11.500 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.062 12.125 1.460 1.00 0.00 H new ATOM 72 N GLU A 6 142.467 10.466 -2.817 1.00 0.00 N ATOM 73 CA GLU A 6 142.579 9.840 -4.123 1.00 0.00 C ATOM 74 C GLU A 6 142.005 8.420 -4.074 1.00 0.00 C ATOM 75 O GLU A 6 141.402 7.945 -5.020 1.00 0.00 O ATOM 76 CB GLU A 6 144.025 9.814 -4.557 1.00 0.00 C ATOM 77 CG GLU A 6 144.647 11.186 -4.686 1.00 0.00 C ATOM 78 CD GLU A 6 146.109 11.104 -4.983 1.00 0.00 C ATOM 79 OE1 GLU A 6 146.887 10.845 -4.051 1.00 0.00 O ATOM 80 OE2 GLU A 6 146.519 11.270 -6.151 1.00 0.00 O ATOM 0 H GLU A 6 143.348 10.525 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 6 142.008 10.419 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.600 9.230 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.098 9.300 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.145 11.740 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.494 11.743 -3.762 1.00 0.00 H new ATOM 87 N GLU A 7 142.166 7.774 -2.946 1.00 0.00 N ATOM 88 CA GLU A 7 141.603 6.454 -2.739 1.00 0.00 C ATOM 89 C GLU A 7 140.078 6.600 -2.647 1.00 0.00 C ATOM 90 O GLU A 7 139.325 5.778 -3.151 1.00 0.00 O ATOM 91 CB GLU A 7 142.173 5.841 -1.445 1.00 0.00 C ATOM 92 CG GLU A 7 141.626 4.467 -1.075 1.00 0.00 C ATOM 93 CD GLU A 7 142.087 3.351 -1.976 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.909 3.435 -3.202 1.00 0.00 O ATOM 95 OE2 GLU A 7 142.568 2.321 -1.450 1.00 0.00 O ATOM 0 H GLU A 7 142.686 8.141 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 7 141.860 5.791 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 7 143.256 5.767 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.975 6.526 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.920 4.236 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.537 4.506 -1.093 1.00 0.00 H new ATOM 102 N ALA A 8 139.648 7.694 -2.034 1.00 0.00 N ATOM 103 CA ALA A 8 138.248 8.006 -1.908 1.00 0.00 C ATOM 104 C ALA A 8 137.645 8.407 -3.274 1.00 0.00 C ATOM 105 O ALA A 8 136.514 8.052 -3.564 1.00 0.00 O ATOM 106 CB ALA A 8 138.006 9.066 -0.803 1.00 0.00 C ATOM 0 H ALA A 8 140.268 8.385 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 8 137.721 7.107 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 8 136.940 9.281 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.364 8.683 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.544 9.981 -1.052 1.00 0.00 H new ATOM 112 N VAL A 9 138.406 9.135 -4.137 1.00 0.00 N ATOM 113 CA VAL A 9 137.900 9.461 -5.498 1.00 0.00 C ATOM 114 C VAL A 9 137.689 8.197 -6.321 1.00 0.00 C ATOM 115 O VAL A 9 136.828 8.157 -7.200 1.00 0.00 O ATOM 116 CB VAL A 9 138.752 10.495 -6.334 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.925 11.815 -5.631 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.088 9.952 -6.781 1.00 0.00 C ATOM 0 H VAL A 9 139.337 9.495 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 9 136.954 9.964 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 9 138.161 10.672 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.519 12.484 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.947 12.261 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.434 11.657 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.619 10.715 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.678 9.674 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.933 9.075 -7.409 1.00 0.00 H new ATOM 128 N LYS A 10 138.456 7.152 -6.007 1.00 0.00 N ATOM 129 CA LYS A 10 138.306 5.849 -6.659 1.00 0.00 C ATOM 130 C LYS A 10 136.902 5.276 -6.395 1.00 0.00 C ATOM 131 O LYS A 10 136.360 4.509 -7.177 1.00 0.00 O ATOM 132 CB LYS A 10 139.359 4.855 -6.157 1.00 0.00 C ATOM 133 CG LYS A 10 140.802 5.258 -6.377 1.00 0.00 C ATOM 134 CD LYS A 10 141.125 5.474 -7.842 1.00 0.00 C ATOM 135 CE LYS A 10 142.598 5.809 -8.032 1.00 0.00 C ATOM 136 NZ LYS A 10 143.478 4.691 -7.624 1.00 0.00 N ATOM 0 H LYS A 10 139.192 7.183 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 10 138.445 5.998 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.204 4.698 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 10 139.190 3.897 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 10 141.009 6.174 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.457 4.486 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.876 4.577 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 10 140.510 6.282 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.782 6.052 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.846 6.697 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 144.432 4.841 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 143.528 4.650 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 143.093 3.796 -7.988 1.00 0.00 H new ATOM 150 N TRP A 11 136.321 5.666 -5.304 1.00 0.00 N ATOM 151 CA TRP A 11 134.987 5.228 -4.941 1.00 0.00 C ATOM 152 C TRP A 11 133.949 5.893 -5.826 1.00 0.00 C ATOM 153 O TRP A 11 132.872 5.356 -6.040 1.00 0.00 O ATOM 154 CB TRP A 11 134.693 5.565 -3.484 1.00 0.00 C ATOM 155 CG TRP A 11 135.656 4.961 -2.512 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.590 4.008 -2.768 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.754 5.253 -1.124 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.285 3.716 -1.642 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.787 4.457 -0.607 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.072 6.122 -0.268 1.00 0.00 C ATOM 161 CZ2 TRP A 11 137.153 4.498 0.724 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.433 6.157 1.061 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.463 5.352 1.544 1.00 0.00 C ATOM 0 H TRP A 11 136.750 6.300 -4.630 1.00 0.00 H new ATOM 0 HA TRP A 11 134.939 4.148 -5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.703 6.648 -3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.686 5.226 -3.240 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.755 3.549 -3.731 1.00 0.00 H new ATOM 0 HE1 TRP A 11 138.055 3.051 -1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.279 6.753 -0.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.953 3.880 1.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.911 6.817 1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.724 5.402 2.591 1.00 0.00 H new ATOM 174 N GLY A 12 134.316 7.036 -6.384 1.00 0.00 N ATOM 175 CA GLY A 12 133.411 7.821 -7.197 1.00 0.00 C ATOM 176 C GLY A 12 133.433 7.416 -8.651 1.00 0.00 C ATOM 177 O GLY A 12 132.719 7.986 -9.474 1.00 0.00 O ATOM 0 H GLY A 12 135.247 7.441 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.397 7.716 -6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.676 8.875 -7.114 1.00 0.00 H new ATOM 181 N GLU A 13 134.266 6.454 -8.982 1.00 0.00 N ATOM 182 CA GLU A 13 134.311 5.944 -10.338 1.00 0.00 C ATOM 183 C GLU A 13 133.655 4.576 -10.426 1.00 0.00 C ATOM 184 O GLU A 13 133.326 4.107 -11.519 1.00 0.00 O ATOM 185 CB GLU A 13 135.748 5.885 -10.873 1.00 0.00 C ATOM 186 CG GLU A 13 136.681 5.092 -10.003 1.00 0.00 C ATOM 187 CD GLU A 13 138.072 4.997 -10.522 1.00 0.00 C ATOM 188 OE1 GLU A 13 138.702 6.042 -10.772 1.00 0.00 O ATOM 189 OE2 GLU A 13 138.568 3.861 -10.679 1.00 0.00 O ATOM 0 H GLU A 13 134.919 6.010 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 13 133.750 6.638 -10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 13 135.737 5.449 -11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 13 136.132 6.900 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.706 5.544 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.281 4.085 -9.885 1.00 0.00 H new ATOM 196 N SER A 14 133.486 3.916 -9.284 1.00 0.00 N ATOM 197 CA SER A 14 132.877 2.597 -9.250 1.00 0.00 C ATOM 198 C SER A 14 132.262 2.308 -7.883 1.00 0.00 C ATOM 199 O SER A 14 132.988 2.232 -6.874 1.00 0.00 O ATOM 200 CB SER A 14 133.926 1.522 -9.559 1.00 0.00 C ATOM 201 OG SER A 14 134.562 1.751 -10.806 1.00 0.00 O ATOM 0 H SER A 14 133.764 4.276 -8.371 1.00 0.00 H new ATOM 0 HA SER A 14 132.090 2.578 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.674 1.506 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.450 0.541 -9.568 1.00 0.00 H new ATOM 0 HG SER A 14 135.225 1.048 -10.969 1.00 0.00 H new ATOM 207 N PHE A 15 130.943 2.146 -7.847 1.00 0.00 N ATOM 208 CA PHE A 15 130.227 1.772 -6.627 1.00 0.00 C ATOM 209 C PHE A 15 130.787 0.464 -6.056 1.00 0.00 C ATOM 210 O PHE A 15 130.969 0.342 -4.856 1.00 0.00 O ATOM 211 CB PHE A 15 128.704 1.660 -6.892 1.00 0.00 C ATOM 212 CG PHE A 15 127.870 1.227 -5.696 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.996 1.852 -4.461 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.950 0.201 -5.823 1.00 0.00 C ATOM 215 CE1 PHE A 15 127.221 1.453 -3.385 1.00 0.00 C ATOM 216 CE2 PHE A 15 126.178 -0.195 -4.747 1.00 0.00 C ATOM 217 CZ PHE A 15 126.315 0.431 -3.535 1.00 0.00 C ATOM 0 H PHE A 15 130.339 2.269 -8.660 1.00 0.00 H new ATOM 0 HA PHE A 15 130.377 2.557 -5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 15 128.339 2.627 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 15 128.544 0.950 -7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.706 2.657 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.834 -0.296 -6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.329 1.944 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 15 125.466 -0.999 -4.861 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.710 0.120 -2.696 1.00 0.00 H new ATOM 227 N ASP A 16 131.106 -0.484 -6.937 1.00 0.00 N ATOM 228 CA ASP A 16 131.686 -1.781 -6.526 1.00 0.00 C ATOM 229 C ASP A 16 133.008 -1.590 -5.787 1.00 0.00 C ATOM 230 O ASP A 16 133.283 -2.275 -4.810 1.00 0.00 O ATOM 231 CB ASP A 16 131.909 -2.694 -7.734 1.00 0.00 C ATOM 232 CG ASP A 16 132.481 -4.057 -7.356 1.00 0.00 C ATOM 233 OD1 ASP A 16 131.698 -4.976 -7.041 1.00 0.00 O ATOM 234 OD2 ASP A 16 133.715 -4.238 -7.390 1.00 0.00 O ATOM 0 H ASP A 16 130.976 -0.386 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 16 130.969 -2.250 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.962 -2.836 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 16 132.587 -2.203 -8.433 1.00 0.00 H new ATOM 239 N LYS A 17 133.786 -0.618 -6.229 1.00 0.00 N ATOM 240 CA LYS A 17 135.090 -0.341 -5.645 1.00 0.00 C ATOM 241 C LYS A 17 134.935 0.245 -4.251 1.00 0.00 C ATOM 242 O LYS A 17 135.614 -0.182 -3.304 1.00 0.00 O ATOM 243 CB LYS A 17 135.892 0.594 -6.552 1.00 0.00 C ATOM 244 CG LYS A 17 137.170 1.099 -5.924 1.00 0.00 C ATOM 245 CD LYS A 17 138.027 1.892 -6.907 1.00 0.00 C ATOM 246 CE LYS A 17 138.466 1.063 -8.116 1.00 0.00 C ATOM 247 NZ LYS A 17 139.380 1.816 -9.019 1.00 0.00 N ATOM 0 H LYS A 17 133.535 0.001 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 17 135.640 -1.278 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 136.134 0.070 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 17 135.269 1.446 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.927 1.728 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.744 0.254 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.466 2.760 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.910 2.268 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.966 0.158 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.586 0.747 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.922 1.146 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.822 2.439 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 140.035 2.389 -8.450 1.00 0.00 H new ATOM 261 N LEU A 18 134.033 1.200 -4.149 1.00 0.00 N ATOM 262 CA LEU A 18 133.653 1.838 -2.894 1.00 0.00 C ATOM 263 C LEU A 18 133.203 0.796 -1.895 1.00 0.00 C ATOM 264 O LEU A 18 133.712 0.698 -0.778 1.00 0.00 O ATOM 265 CB LEU A 18 132.470 2.765 -3.193 1.00 0.00 C ATOM 266 CG LEU A 18 131.606 3.217 -2.010 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.348 4.140 -1.088 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.372 3.873 -2.519 1.00 0.00 C ATOM 0 H LEU A 18 133.528 1.567 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 18 134.500 2.385 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.858 3.657 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.821 2.261 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 18 131.341 2.333 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.696 4.434 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 133.226 3.630 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.662 5.028 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.757 4.194 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.643 4.739 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.810 3.167 -3.130 1.00 0.00 H new ATOM 280 N LEU A 19 132.290 0.006 -2.353 1.00 0.00 N ATOM 281 CA LEU A 19 131.589 -0.959 -1.574 1.00 0.00 C ATOM 282 C LEU A 19 132.502 -2.094 -1.124 1.00 0.00 C ATOM 283 O LEU A 19 132.290 -2.693 -0.076 1.00 0.00 O ATOM 284 CB LEU A 19 130.475 -1.480 -2.446 1.00 0.00 C ATOM 285 CG LEU A 19 129.278 -2.056 -1.766 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.691 -1.018 -0.814 1.00 0.00 C ATOM 287 CD2 LEU A 19 128.270 -2.426 -2.831 1.00 0.00 C ATOM 0 H LEU A 19 131.998 0.017 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 19 131.202 -0.505 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 19 130.138 -0.663 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.891 -2.246 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 19 129.546 -2.941 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.816 -1.435 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 129.438 -0.745 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 19 128.399 -0.132 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 19 127.383 -2.850 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.991 -1.535 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 19 128.708 -3.160 -3.508 1.00 0.00 H new ATOM 299 N SER A 20 133.516 -2.373 -1.908 1.00 0.00 N ATOM 300 CA SER A 20 134.442 -3.432 -1.599 1.00 0.00 C ATOM 301 C SER A 20 135.686 -2.909 -0.870 1.00 0.00 C ATOM 302 O SER A 20 136.678 -3.636 -0.706 1.00 0.00 O ATOM 303 CB SER A 20 134.808 -4.177 -2.867 1.00 0.00 C ATOM 304 OG SER A 20 133.633 -4.685 -3.492 1.00 0.00 O ATOM 0 H SER A 20 133.720 -1.874 -2.774 1.00 0.00 H new ATOM 0 HA SER A 20 133.955 -4.127 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 20 135.334 -3.511 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 20 135.488 -4.996 -2.634 1.00 0.00 H new ATOM 0 HG SER A 20 133.256 -4.002 -4.085 1.00 0.00 H new ATOM 310 N HIS A 21 135.636 -1.664 -0.445 1.00 0.00 N ATOM 311 CA HIS A 21 136.678 -1.099 0.376 1.00 0.00 C ATOM 312 C HIS A 21 136.029 -0.940 1.723 1.00 0.00 C ATOM 313 O HIS A 21 134.961 -0.362 1.787 1.00 0.00 O ATOM 314 CB HIS A 21 137.107 0.296 -0.137 1.00 0.00 C ATOM 315 CG HIS A 21 138.550 0.649 0.113 1.00 0.00 C ATOM 316 ND1 HIS A 21 139.005 1.404 1.175 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.640 0.390 -0.636 1.00 0.00 C ATOM 318 CE1 HIS A 21 140.300 1.596 1.049 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.709 0.990 -0.038 1.00 0.00 N ATOM 0 H HIS A 21 134.874 -1.020 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 21 137.570 -1.725 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.916 0.347 -1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 21 136.477 1.050 0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.663 -0.189 -1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.922 2.159 1.728 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.669 0.970 -0.381 1.00 0.00 H new ATOM 328 N ARG A 22 136.648 -1.426 2.775 1.00 0.00 N ATOM 329 CA ARG A 22 136.054 -1.405 4.124 1.00 0.00 C ATOM 330 C ARG A 22 135.661 0.026 4.503 1.00 0.00 C ATOM 331 O ARG A 22 134.567 0.270 4.981 1.00 0.00 O ATOM 332 CB ARG A 22 137.057 -1.919 5.141 1.00 0.00 C ATOM 333 CG ARG A 22 136.470 -2.202 6.517 1.00 0.00 C ATOM 334 CD ARG A 22 137.478 -1.900 7.608 1.00 0.00 C ATOM 335 NE ARG A 22 137.601 -0.451 7.791 1.00 0.00 N ATOM 336 CZ ARG A 22 138.551 0.326 7.280 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.629 -0.201 6.707 1.00 0.00 N ATOM 338 NH2 ARG A 22 138.432 1.640 7.379 1.00 0.00 N ATOM 0 H ARG A 22 137.575 -1.849 2.737 1.00 0.00 H new ATOM 0 HA ARG A 22 135.170 -2.042 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.509 -2.834 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 22 137.858 -1.187 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.575 -1.598 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 22 136.164 -3.246 6.578 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.166 -2.367 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 22 138.447 -2.325 7.347 1.00 0.00 H new ATOM 0 HE ARG A 22 136.891 0.004 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 22 139.735 -1.214 6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 22 140.350 0.408 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 22 137.619 2.045 7.843 1.00 0.00 H new ATOM 0 HH22 ARG A 22 139.153 2.248 6.991 1.00 0.00 H new ATOM 352 N ASP A 23 136.573 0.959 4.237 1.00 0.00 N ATOM 353 CA ASP A 23 136.364 2.398 4.504 1.00 0.00 C ATOM 354 C ASP A 23 135.155 2.909 3.757 1.00 0.00 C ATOM 355 O ASP A 23 134.383 3.693 4.279 1.00 0.00 O ATOM 356 CB ASP A 23 137.559 3.226 4.021 1.00 0.00 C ATOM 357 CG ASP A 23 138.865 2.739 4.519 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.388 1.795 3.932 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.386 3.266 5.513 1.00 0.00 O ATOM 0 H ASP A 23 137.484 0.747 3.829 1.00 0.00 H new ATOM 0 HA ASP A 23 136.233 2.501 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.573 3.225 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.423 4.260 4.337 1.00 0.00 H new ATOM 364 N GLY A 24 134.985 2.432 2.536 1.00 0.00 N ATOM 365 CA GLY A 24 133.933 2.921 1.684 1.00 0.00 C ATOM 366 C GLY A 24 132.633 2.286 1.996 1.00 0.00 C ATOM 367 O GLY A 24 131.609 2.943 1.994 1.00 0.00 O ATOM 0 H GLY A 24 135.567 1.706 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.846 4.002 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.190 2.729 0.642 1.00 0.00 H new ATOM 371 N LEU A 25 132.677 1.006 2.257 1.00 0.00 N ATOM 372 CA LEU A 25 131.540 0.265 2.726 1.00 0.00 C ATOM 373 C LEU A 25 131.000 0.922 3.982 1.00 0.00 C ATOM 374 O LEU A 25 129.804 1.084 4.150 1.00 0.00 O ATOM 375 CB LEU A 25 131.955 -1.215 2.936 1.00 0.00 C ATOM 376 CG LEU A 25 131.247 -2.031 4.023 1.00 0.00 C ATOM 377 CD1 LEU A 25 131.222 -3.494 3.617 1.00 0.00 C ATOM 378 CD2 LEU A 25 132.015 -1.903 5.349 1.00 0.00 C ATOM 0 H LEU A 25 133.519 0.441 2.147 1.00 0.00 H new ATOM 0 HA LEU A 25 130.732 0.271 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.815 -1.735 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 25 133.023 -1.231 3.154 1.00 0.00 H new ATOM 0 HG LEU A 25 130.231 -1.657 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.719 -4.077 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 130.686 -3.601 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 25 132.243 -3.856 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.509 -2.484 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 133.030 -2.278 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.051 -0.856 5.649 1.00 0.00 H new ATOM 390 N GLU A 26 131.918 1.358 4.812 1.00 0.00 N ATOM 391 CA GLU A 26 131.614 2.044 6.021 1.00 0.00 C ATOM 392 C GLU A 26 131.124 3.472 5.725 1.00 0.00 C ATOM 393 O GLU A 26 130.167 3.917 6.330 1.00 0.00 O ATOM 394 CB GLU A 26 132.847 2.017 6.913 1.00 0.00 C ATOM 395 CG GLU A 26 132.721 2.725 8.253 1.00 0.00 C ATOM 396 CD GLU A 26 131.650 2.153 9.141 1.00 0.00 C ATOM 397 OE1 GLU A 26 131.742 0.969 9.523 1.00 0.00 O ATOM 398 OE2 GLU A 26 130.745 2.891 9.539 1.00 0.00 O ATOM 0 H GLU A 26 132.918 1.237 4.651 1.00 0.00 H new ATOM 0 HA GLU A 26 130.799 1.549 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.113 0.976 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.676 2.465 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.678 2.673 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.510 3.780 8.078 1.00 0.00 H new ATOM 405 N ALA A 27 131.739 4.162 4.749 1.00 0.00 N ATOM 406 CA ALA A 27 131.312 5.532 4.401 1.00 0.00 C ATOM 407 C ALA A 27 129.893 5.511 3.841 1.00 0.00 C ATOM 408 O ALA A 27 129.049 6.344 4.188 1.00 0.00 O ATOM 409 CB ALA A 27 132.267 6.178 3.378 1.00 0.00 C ATOM 0 H ALA A 27 132.518 3.805 4.196 1.00 0.00 H new ATOM 0 HA ALA A 27 131.336 6.130 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.923 7.185 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.272 6.226 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.283 5.580 2.467 1.00 0.00 H new ATOM 415 N PHE A 28 129.630 4.528 3.015 1.00 0.00 N ATOM 416 CA PHE A 28 128.359 4.392 2.362 1.00 0.00 C ATOM 417 C PHE A 28 127.287 3.872 3.325 1.00 0.00 C ATOM 418 O PHE A 28 126.126 4.272 3.239 1.00 0.00 O ATOM 419 CB PHE A 28 128.498 3.480 1.136 1.00 0.00 C ATOM 420 CG PHE A 28 127.270 3.407 0.287 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.924 4.466 -0.530 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.466 2.286 0.300 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.799 4.407 -1.314 1.00 0.00 C ATOM 424 CE2 PHE A 28 125.339 2.223 -0.485 1.00 0.00 C ATOM 425 CZ PHE A 28 125.005 3.285 -1.293 1.00 0.00 C ATOM 0 H PHE A 28 130.300 3.796 2.778 1.00 0.00 H new ATOM 0 HA PHE A 28 128.034 5.377 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.328 3.834 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.755 2.475 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.545 5.349 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.724 1.450 0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.538 5.242 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.717 1.341 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 28 124.120 3.237 -1.910 1.00 0.00 H new ATOM 435 N THR A 29 127.683 3.049 4.290 1.00 0.00 N ATOM 436 CA THR A 29 126.707 2.490 5.207 1.00 0.00 C ATOM 437 C THR A 29 126.367 3.543 6.229 1.00 0.00 C ATOM 438 O THR A 29 125.232 3.664 6.663 1.00 0.00 O ATOM 439 CB THR A 29 127.123 1.117 5.882 1.00 0.00 C ATOM 440 OG1 THR A 29 126.009 0.562 6.601 1.00 0.00 O ATOM 441 CG2 THR A 29 128.275 1.280 6.860 1.00 0.00 C ATOM 0 H THR A 29 128.648 2.762 4.453 1.00 0.00 H new ATOM 0 HA THR A 29 125.828 2.219 4.622 1.00 0.00 H new ATOM 0 HB THR A 29 127.438 0.456 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.027 -0.415 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.522 0.312 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.145 1.675 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.985 1.971 7.652 1.00 0.00 H new ATOM 449 N ARG A 30 127.354 4.361 6.539 1.00 0.00 N ATOM 450 CA ARG A 30 127.188 5.484 7.404 1.00 0.00 C ATOM 451 C ARG A 30 126.111 6.405 6.827 1.00 0.00 C ATOM 452 O ARG A 30 125.168 6.770 7.518 1.00 0.00 O ATOM 453 CB ARG A 30 128.531 6.193 7.545 1.00 0.00 C ATOM 454 CG ARG A 30 128.476 7.465 8.302 1.00 0.00 C ATOM 455 CD ARG A 30 129.857 8.080 8.454 1.00 0.00 C ATOM 456 NE ARG A 30 129.832 9.259 9.324 1.00 0.00 N ATOM 457 CZ ARG A 30 130.805 10.170 9.438 1.00 0.00 C ATOM 458 NH1 ARG A 30 131.874 10.122 8.652 1.00 0.00 N ATOM 459 NH2 ARG A 30 130.679 11.151 10.317 1.00 0.00 N ATOM 0 H ARG A 30 128.304 4.251 6.185 1.00 0.00 H new ATOM 0 HA ARG A 30 126.862 5.172 8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.233 5.521 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.928 6.394 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 30 127.818 8.167 7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 30 128.046 7.286 9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 30 130.542 7.339 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.241 8.360 7.473 1.00 0.00 H new ATOM 0 HE ARG A 30 128.998 9.397 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 30 131.960 9.385 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 30 132.610 10.822 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 30 129.845 11.208 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 30 131.416 11.850 10.410 1.00 0.00 H new ATOM 473 N PHE A 31 126.236 6.700 5.535 1.00 0.00 N ATOM 474 CA PHE A 31 125.279 7.496 4.791 1.00 0.00 C ATOM 475 C PHE A 31 123.864 6.891 4.866 1.00 0.00 C ATOM 476 O PHE A 31 122.893 7.602 5.107 1.00 0.00 O ATOM 477 CB PHE A 31 125.740 7.621 3.324 1.00 0.00 C ATOM 478 CG PHE A 31 124.779 8.349 2.426 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.703 9.727 2.444 1.00 0.00 C ATOM 480 CD2 PHE A 31 123.941 7.646 1.574 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.812 10.393 1.629 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.052 8.307 0.762 1.00 0.00 C ATOM 483 CZ PHE A 31 122.987 9.681 0.789 1.00 0.00 C ATOM 0 H PHE A 31 127.024 6.383 4.970 1.00 0.00 H new ATOM 0 HA PHE A 31 125.232 8.488 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.700 8.137 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 31 125.906 6.621 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.348 10.289 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 31 123.988 6.567 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.762 11.472 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.404 7.748 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.288 10.201 0.151 1.00 0.00 H new ATOM 493 N LEU A 32 123.744 5.597 4.682 1.00 0.00 N ATOM 494 CA LEU A 32 122.435 5.000 4.736 1.00 0.00 C ATOM 495 C LEU A 32 121.875 4.764 6.134 1.00 0.00 C ATOM 496 O LEU A 32 120.674 4.764 6.310 1.00 0.00 O ATOM 497 CB LEU A 32 122.200 3.875 3.715 1.00 0.00 C ATOM 498 CG LEU A 32 123.308 2.858 3.471 1.00 0.00 C ATOM 499 CD1 LEU A 32 123.459 1.934 4.626 1.00 0.00 C ATOM 500 CD2 LEU A 32 123.037 2.073 2.203 1.00 0.00 C ATOM 0 H LEU A 32 124.515 4.954 4.499 1.00 0.00 H new ATOM 0 HA LEU A 32 121.781 5.793 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 32 121.312 3.326 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 32 121.965 4.342 2.759 1.00 0.00 H new ATOM 0 HG LEU A 32 124.243 3.406 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 124.257 1.221 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.706 2.507 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.525 1.396 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 32 123.838 1.351 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.087 1.546 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.990 2.756 1.355 1.00 0.00 H new ATOM 512 N LYS A 33 122.727 4.621 7.133 1.00 0.00 N ATOM 513 CA LYS A 33 122.256 4.554 8.532 1.00 0.00 C ATOM 514 C LYS A 33 121.745 5.920 8.918 1.00 0.00 C ATOM 515 O LYS A 33 120.749 6.066 9.629 1.00 0.00 O ATOM 516 CB LYS A 33 123.377 4.131 9.475 1.00 0.00 C ATOM 517 CG LYS A 33 123.851 2.723 9.247 1.00 0.00 C ATOM 518 CD LYS A 33 125.065 2.415 10.066 1.00 0.00 C ATOM 519 CE LYS A 33 125.584 1.038 9.747 1.00 0.00 C ATOM 520 NZ LYS A 33 126.884 0.788 10.380 1.00 0.00 N ATOM 0 H LYS A 33 123.738 4.549 7.020 1.00 0.00 H new ATOM 0 HA LYS A 33 121.465 3.809 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.219 4.813 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.032 4.228 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.054 2.024 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.078 2.581 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.840 3.156 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.821 2.481 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 33 124.865 0.291 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 33 125.678 0.925 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 127.210 -0.170 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 127.576 1.485 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 126.789 0.871 11.412 1.00 0.00 H new ATOM 534 N THR A 34 122.416 6.900 8.386 1.00 0.00 N ATOM 535 CA THR A 34 122.098 8.292 8.494 1.00 0.00 C ATOM 536 C THR A 34 120.645 8.608 8.005 1.00 0.00 C ATOM 537 O THR A 34 120.009 9.561 8.473 1.00 0.00 O ATOM 538 CB THR A 34 123.205 9.050 7.708 1.00 0.00 C ATOM 539 OG1 THR A 34 124.328 9.350 8.537 1.00 0.00 O ATOM 540 CG2 THR A 34 122.751 10.238 6.899 1.00 0.00 C ATOM 0 H THR A 34 123.255 6.736 7.829 1.00 0.00 H new ATOM 0 HA THR A 34 122.091 8.621 9.533 1.00 0.00 H new ATOM 0 HB THR A 34 123.520 8.340 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 34 124.983 8.624 8.475 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.609 10.685 6.396 1.00 0.00 H new ATOM 0 HG22 THR A 34 122.022 9.915 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.293 10.975 7.559 1.00 0.00 H new ATOM 548 N GLU A 35 120.120 7.793 7.116 1.00 0.00 N ATOM 549 CA GLU A 35 118.761 7.979 6.629 1.00 0.00 C ATOM 550 C GLU A 35 117.884 6.755 6.896 1.00 0.00 C ATOM 551 O GLU A 35 116.746 6.688 6.428 1.00 0.00 O ATOM 552 CB GLU A 35 118.775 8.314 5.153 1.00 0.00 C ATOM 553 CG GLU A 35 119.527 7.317 4.306 1.00 0.00 C ATOM 554 CD GLU A 35 119.491 7.691 2.871 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.108 8.688 2.521 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.783 7.024 2.076 1.00 0.00 O ATOM 0 H GLU A 35 120.609 6.994 6.713 1.00 0.00 H new ATOM 0 HA GLU A 35 118.325 8.813 7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.747 8.378 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.221 9.299 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.562 7.259 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.093 6.326 4.436 1.00 0.00 H new ATOM 563 N PHE A 36 118.420 5.808 7.668 1.00 0.00 N ATOM 564 CA PHE A 36 117.727 4.560 8.040 1.00 0.00 C ATOM 565 C PHE A 36 117.384 3.694 6.820 1.00 0.00 C ATOM 566 O PHE A 36 116.446 2.901 6.832 1.00 0.00 O ATOM 567 CB PHE A 36 116.500 4.849 8.920 1.00 0.00 C ATOM 568 CG PHE A 36 116.875 5.448 10.250 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.138 4.633 11.334 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.985 6.817 10.407 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.501 5.168 12.549 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.345 7.359 11.620 1.00 0.00 C ATOM 573 CZ PHE A 36 117.605 6.533 12.694 1.00 0.00 C ATOM 0 H PHE A 36 119.359 5.881 8.060 1.00 0.00 H new ATOM 0 HA PHE A 36 118.421 3.969 8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.831 5.530 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.948 3.924 9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.058 3.561 11.227 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.786 7.468 9.569 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.704 4.518 13.387 1.00 0.00 H new ATOM 0 HE2 PHE A 36 117.424 8.430 11.731 1.00 0.00 H new ATOM 0 HZ PHE A 36 117.889 6.956 13.646 1.00 0.00 H new ATOM 583 N SER A 37 118.200 3.822 5.799 1.00 0.00 N ATOM 584 CA SER A 37 118.109 3.043 4.576 1.00 0.00 C ATOM 585 C SER A 37 119.234 2.013 4.614 1.00 0.00 C ATOM 586 O SER A 37 119.702 1.504 3.588 1.00 0.00 O ATOM 587 CB SER A 37 118.311 3.974 3.382 1.00 0.00 C ATOM 588 OG SER A 37 117.417 5.079 3.438 1.00 0.00 O ATOM 0 H SER A 37 118.970 4.490 5.792 1.00 0.00 H new ATOM 0 HA SER A 37 117.139 2.553 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.340 4.335 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 37 118.154 3.422 2.455 1.00 0.00 H new ATOM 0 HG SER A 37 117.762 5.808 2.881 1.00 0.00 H new ATOM 594 N GLU A 38 119.613 1.678 5.815 1.00 0.00 N ATOM 595 CA GLU A 38 120.744 0.837 6.072 1.00 0.00 C ATOM 596 C GLU A 38 120.505 -0.657 5.808 1.00 0.00 C ATOM 597 O GLU A 38 121.488 -1.466 5.686 1.00 0.00 O ATOM 598 CB GLU A 38 121.315 1.102 7.473 1.00 0.00 C ATOM 599 CG GLU A 38 120.296 1.441 8.572 1.00 0.00 C ATOM 600 CD GLU A 38 119.178 0.447 8.716 1.00 0.00 C ATOM 601 OE1 GLU A 38 119.396 -0.652 9.264 1.00 0.00 O ATOM 602 OE2 GLU A 38 118.049 0.768 8.302 1.00 0.00 O ATOM 0 H GLU A 38 119.133 1.989 6.659 1.00 0.00 H new ATOM 0 HA GLU A 38 121.497 1.117 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.875 0.221 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.027 1.924 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.821 1.519 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 38 119.868 2.422 8.363 1.00 0.00 H new ATOM 609 N GLU A 39 119.240 -1.031 5.665 1.00 0.00 N ATOM 610 CA GLU A 39 118.920 -2.415 5.456 1.00 0.00 C ATOM 611 C GLU A 39 119.445 -2.860 4.134 1.00 0.00 C ATOM 612 O GLU A 39 119.913 -3.913 4.038 1.00 0.00 O ATOM 613 CB GLU A 39 117.417 -2.767 5.584 1.00 0.00 C ATOM 614 CG GLU A 39 116.481 -2.209 4.513 1.00 0.00 C ATOM 615 CD GLU A 39 116.268 -0.739 4.625 1.00 0.00 C ATOM 616 OE1 GLU A 39 117.031 0.024 4.053 1.00 0.00 O ATOM 617 OE2 GLU A 39 115.320 -0.333 5.310 1.00 0.00 O ATOM 0 H GLU A 39 118.440 -0.399 5.691 1.00 0.00 H new ATOM 0 HA GLU A 39 119.407 -2.955 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 39 117.322 -3.853 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 39 117.068 -2.416 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.890 -2.436 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 39 115.518 -2.715 4.582 1.00 0.00 H new ATOM 624 N ASN A 40 119.404 -1.975 3.150 1.00 0.00 N ATOM 625 CA ASN A 40 119.869 -2.242 1.771 1.00 0.00 C ATOM 626 C ASN A 40 121.253 -2.931 1.713 1.00 0.00 C ATOM 627 O ASN A 40 121.411 -4.100 1.229 1.00 0.00 O ATOM 628 CB ASN A 40 119.965 -0.917 0.988 1.00 0.00 C ATOM 629 CG ASN A 40 118.640 -0.284 0.621 1.00 0.00 C ATOM 630 OD1 ASN A 40 118.057 -0.580 -0.419 1.00 0.00 O ATOM 631 ND2 ASN A 40 118.190 0.634 1.420 1.00 0.00 N ATOM 0 H ASN A 40 119.042 -1.030 3.276 1.00 0.00 H new ATOM 0 HA ASN A 40 119.137 -2.919 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 40 120.537 -0.204 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 40 120.529 -1.095 0.073 1.00 0.00 H new ATOM 0 HD21 ASN A 40 117.330 1.132 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.697 0.858 2.277 1.00 0.00 H new ATOM 638 N ILE A 41 122.232 -2.242 2.233 1.00 0.00 N ATOM 639 CA ILE A 41 123.593 -2.685 2.135 1.00 0.00 C ATOM 640 C ILE A 41 123.808 -3.940 2.986 1.00 0.00 C ATOM 641 O ILE A 41 124.407 -4.926 2.532 1.00 0.00 O ATOM 642 CB ILE A 41 124.573 -1.533 2.510 1.00 0.00 C ATOM 643 CG1 ILE A 41 126.001 -1.817 2.021 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.528 -1.200 4.005 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.972 -0.691 2.302 1.00 0.00 C ATOM 0 H ILE A 41 122.108 -1.362 2.734 1.00 0.00 H new ATOM 0 HA ILE A 41 123.807 -2.958 1.102 1.00 0.00 H new ATOM 0 HB ILE A 41 124.231 -0.641 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 41 126.365 -2.727 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.978 -2.006 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.227 -0.392 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.520 -0.889 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.805 -2.082 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.960 -0.961 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.631 0.216 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 41 127.025 -0.516 3.377 1.00 0.00 H new ATOM 657 N GLU A 42 123.219 -3.952 4.175 1.00 0.00 N ATOM 658 CA GLU A 42 123.366 -5.087 5.047 1.00 0.00 C ATOM 659 C GLU A 42 122.438 -6.253 4.635 1.00 0.00 C ATOM 660 O GLU A 42 122.601 -7.383 5.092 1.00 0.00 O ATOM 661 CB GLU A 42 123.188 -4.660 6.491 1.00 0.00 C ATOM 662 CG GLU A 42 124.481 -4.211 7.215 1.00 0.00 C ATOM 663 CD GLU A 42 125.380 -3.218 6.530 1.00 0.00 C ATOM 664 OE1 GLU A 42 126.226 -3.607 5.747 1.00 0.00 O ATOM 665 OE2 GLU A 42 125.319 -2.024 6.870 1.00 0.00 O ATOM 0 H GLU A 42 122.644 -3.195 4.545 1.00 0.00 H new ATOM 0 HA GLU A 42 124.379 -5.478 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 42 122.470 -3.840 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.750 -5.490 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.192 -3.788 8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 42 125.071 -5.103 7.423 1.00 0.00 H new ATOM 672 N PHE A 43 121.494 -5.953 3.750 1.00 0.00 N ATOM 673 CA PHE A 43 120.563 -6.909 3.157 1.00 0.00 C ATOM 674 C PHE A 43 121.318 -7.895 2.343 1.00 0.00 C ATOM 675 O PHE A 43 121.256 -9.102 2.595 1.00 0.00 O ATOM 676 CB PHE A 43 119.543 -6.166 2.267 1.00 0.00 C ATOM 677 CG PHE A 43 118.681 -7.000 1.384 1.00 0.00 C ATOM 678 CD1 PHE A 43 119.091 -7.318 0.095 1.00 0.00 C ATOM 679 CD2 PHE A 43 117.466 -7.443 1.820 1.00 0.00 C ATOM 680 CE1 PHE A 43 118.301 -8.066 -0.729 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.669 -8.189 1.002 1.00 0.00 C ATOM 682 CZ PHE A 43 117.087 -8.501 -0.279 1.00 0.00 C ATOM 0 H PHE A 43 121.350 -5.001 3.412 1.00 0.00 H new ATOM 0 HA PHE A 43 120.027 -7.430 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.894 -5.577 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 43 120.090 -5.463 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 43 120.049 -6.968 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 43 117.133 -7.201 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.633 -8.312 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.710 -8.537 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.452 -9.090 -0.925 1.00 0.00 H new ATOM 692 N TRP A 44 122.056 -7.420 1.356 1.00 0.00 N ATOM 693 CA TRP A 44 122.793 -8.395 0.600 1.00 0.00 C ATOM 694 C TRP A 44 124.020 -8.897 1.313 1.00 0.00 C ATOM 695 O TRP A 44 124.555 -9.944 0.967 1.00 0.00 O ATOM 696 CB TRP A 44 122.976 -8.126 -0.897 1.00 0.00 C ATOM 697 CG TRP A 44 123.519 -6.809 -1.286 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.902 -5.901 -2.078 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.779 -6.246 -0.927 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.699 -4.821 -2.254 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.854 -5.003 -1.539 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.852 -6.674 -0.142 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.947 -4.183 -1.393 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.937 -5.854 0.003 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.977 -4.624 -0.616 1.00 0.00 C ATOM 0 H TRP A 44 122.155 -6.443 1.079 1.00 0.00 H new ATOM 0 HA TRP A 44 122.107 -9.241 0.563 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.635 -8.895 -1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.008 -8.249 -1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.918 -6.021 -2.507 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.476 -4.006 -2.825 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.825 -7.638 0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.989 -3.219 -1.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.771 -6.174 0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.844 -3.994 -0.483 1.00 0.00 H new ATOM 716 N ILE A 45 124.454 -8.168 2.341 1.00 0.00 N ATOM 717 CA ILE A 45 125.473 -8.692 3.222 1.00 0.00 C ATOM 718 C ILE A 45 124.913 -9.896 3.975 1.00 0.00 C ATOM 719 O ILE A 45 125.610 -10.868 4.197 1.00 0.00 O ATOM 720 CB ILE A 45 126.081 -7.618 4.177 1.00 0.00 C ATOM 721 CG1 ILE A 45 127.032 -6.718 3.368 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.789 -8.247 5.388 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.768 -5.677 4.170 1.00 0.00 C ATOM 0 H ILE A 45 124.119 -7.233 2.574 1.00 0.00 H new ATOM 0 HA ILE A 45 126.315 -9.015 2.610 1.00 0.00 H new ATOM 0 HB ILE A 45 125.271 -7.015 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.764 -7.350 2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.457 -6.215 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 45 127.195 -7.459 6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 45 126.075 -8.840 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 45 127.600 -8.889 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 45 128.411 -5.096 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 45 127.050 -5.014 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 45 128.377 -6.167 4.930 1.00 0.00 H new ATOM 735 N ALA A 46 123.622 -9.852 4.293 1.00 0.00 N ATOM 736 CA ALA A 46 122.952 -10.982 4.910 1.00 0.00 C ATOM 737 C ALA A 46 122.926 -12.155 3.937 1.00 0.00 C ATOM 738 O ALA A 46 123.023 -13.301 4.358 1.00 0.00 O ATOM 739 CB ALA A 46 121.532 -10.631 5.341 1.00 0.00 C ATOM 0 H ALA A 46 123.022 -9.043 4.131 1.00 0.00 H new ATOM 0 HA ALA A 46 123.510 -11.256 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 121.064 -11.503 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.562 -9.815 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.953 -10.324 4.470 1.00 0.00 H new ATOM 745 N CYS A 47 122.807 -11.852 2.634 1.00 0.00 N ATOM 746 CA CYS A 47 122.824 -12.879 1.583 1.00 0.00 C ATOM 747 C CYS A 47 124.255 -13.412 1.371 1.00 0.00 C ATOM 748 O CYS A 47 124.452 -14.581 1.069 1.00 0.00 O ATOM 749 CB CYS A 47 122.234 -12.349 0.264 1.00 0.00 C ATOM 750 SG CYS A 47 122.145 -13.589 -1.059 1.00 0.00 S ATOM 0 H CYS A 47 122.698 -10.900 2.284 1.00 0.00 H new ATOM 0 HA CYS A 47 122.193 -13.704 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 47 121.232 -11.965 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.837 -11.509 -0.080 1.00 0.00 H new ATOM 0 HG CYS A 47 123.050 -14.501 -0.860 1.00 0.00 H new ATOM 756 N GLU A 48 125.232 -12.548 1.521 1.00 0.00 N ATOM 757 CA GLU A 48 126.644 -12.929 1.507 1.00 0.00 C ATOM 758 C GLU A 48 126.914 -13.840 2.708 1.00 0.00 C ATOM 759 O GLU A 48 127.483 -14.920 2.585 1.00 0.00 O ATOM 760 CB GLU A 48 127.489 -11.641 1.559 1.00 0.00 C ATOM 761 CG GLU A 48 128.944 -11.786 1.994 1.00 0.00 C ATOM 762 CD GLU A 48 129.786 -12.592 1.053 1.00 0.00 C ATOM 763 OE1 GLU A 48 130.303 -12.032 0.074 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.965 -13.806 1.275 1.00 0.00 O ATOM 0 H GLU A 48 125.078 -11.549 1.658 1.00 0.00 H new ATOM 0 HA GLU A 48 126.907 -13.477 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.475 -11.186 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.000 -10.942 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 48 129.382 -10.793 2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.973 -12.251 2.979 1.00 0.00 H new ATOM 771 N ASP A 49 126.425 -13.413 3.846 1.00 0.00 N ATOM 772 CA ASP A 49 126.513 -14.149 5.105 1.00 0.00 C ATOM 773 C ASP A 49 125.711 -15.458 5.017 1.00 0.00 C ATOM 774 O ASP A 49 125.934 -16.396 5.759 1.00 0.00 O ATOM 775 CB ASP A 49 125.976 -13.256 6.227 1.00 0.00 C ATOM 776 CG ASP A 49 126.061 -13.865 7.595 1.00 0.00 C ATOM 777 OD1 ASP A 49 127.151 -13.875 8.182 1.00 0.00 O ATOM 778 OD2 ASP A 49 125.024 -14.289 8.125 1.00 0.00 O ATOM 0 H ASP A 49 125.939 -12.520 3.936 1.00 0.00 H new ATOM 0 HA ASP A 49 127.551 -14.411 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.530 -12.317 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.935 -13.012 6.015 1.00 0.00 H new ATOM 783 N PHE A 50 124.808 -15.490 4.078 1.00 0.00 N ATOM 784 CA PHE A 50 123.967 -16.628 3.801 1.00 0.00 C ATOM 785 C PHE A 50 124.674 -17.620 2.851 1.00 0.00 C ATOM 786 O PHE A 50 124.661 -18.822 3.084 1.00 0.00 O ATOM 787 CB PHE A 50 122.655 -16.104 3.197 1.00 0.00 C ATOM 788 CG PHE A 50 121.684 -17.126 2.761 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.908 -17.784 3.674 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.539 -17.418 1.427 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.005 -18.727 3.270 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.639 -18.355 1.017 1.00 0.00 C ATOM 793 CZ PHE A 50 119.870 -19.014 1.938 1.00 0.00 C ATOM 0 H PHE A 50 124.628 -14.698 3.461 1.00 0.00 H new ATOM 0 HA PHE A 50 123.757 -17.177 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 50 122.170 -15.464 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.899 -15.476 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.009 -17.556 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.143 -16.901 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.400 -19.244 3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.532 -18.578 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.158 -19.759 1.615 1.00 0.00 H new ATOM 803 N LYS A 51 125.321 -17.103 1.808 1.00 0.00 N ATOM 804 CA LYS A 51 125.987 -17.955 0.822 1.00 0.00 C ATOM 805 C LYS A 51 127.250 -18.594 1.383 1.00 0.00 C ATOM 806 O LYS A 51 127.693 -19.634 0.905 1.00 0.00 O ATOM 807 CB LYS A 51 126.298 -17.208 -0.494 1.00 0.00 C ATOM 808 CG LYS A 51 127.303 -16.055 -0.393 1.00 0.00 C ATOM 809 CD LYS A 51 127.587 -15.488 -1.774 1.00 0.00 C ATOM 810 CE LYS A 51 128.585 -14.342 -1.778 1.00 0.00 C ATOM 811 NZ LYS A 51 129.893 -14.724 -1.214 1.00 0.00 N ATOM 0 H LYS A 51 125.399 -16.103 1.623 1.00 0.00 H new ATOM 0 HA LYS A 51 125.279 -18.750 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.676 -17.930 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.364 -16.815 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 51 126.908 -15.273 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 51 128.229 -16.408 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.964 -16.287 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 51 126.651 -15.143 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.724 -13.990 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.177 -13.508 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.616 -14.043 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 129.837 -14.723 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.149 -15.676 -1.546 1.00 0.00 H new ATOM 825 N LYS A 52 127.817 -17.980 2.409 1.00 0.00 N ATOM 826 CA LYS A 52 129.019 -18.508 3.043 1.00 0.00 C ATOM 827 C LYS A 52 128.677 -19.648 4.021 1.00 0.00 C ATOM 828 O LYS A 52 129.569 -20.237 4.648 1.00 0.00 O ATOM 829 CB LYS A 52 129.819 -17.395 3.743 1.00 0.00 C ATOM 830 CG LYS A 52 129.045 -16.677 4.829 1.00 0.00 C ATOM 831 CD LYS A 52 129.861 -15.603 5.533 1.00 0.00 C ATOM 832 CE LYS A 52 130.295 -14.482 4.599 1.00 0.00 C ATOM 833 NZ LYS A 52 130.988 -13.406 5.343 1.00 0.00 N ATOM 0 H LYS A 52 127.466 -17.116 2.822 1.00 0.00 H new ATOM 0 HA LYS A 52 129.651 -18.922 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 52 130.721 -17.827 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 52 130.141 -16.668 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 52 128.156 -16.222 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.702 -17.405 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.272 -15.182 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 52 130.744 -16.059 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.957 -14.881 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.424 -14.072 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 131.273 -12.655 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 130.347 -13.011 6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 131.832 -13.795 5.810 1.00 0.00 H new ATOM 847 N SER A 53 127.394 -19.944 4.162 1.00 0.00 N ATOM 848 CA SER A 53 126.960 -21.058 4.960 1.00 0.00 C ATOM 849 C SER A 53 127.083 -22.335 4.116 1.00 0.00 C ATOM 850 O SER A 53 127.203 -22.267 2.881 1.00 0.00 O ATOM 851 CB SER A 53 125.518 -20.842 5.434 1.00 0.00 C ATOM 852 OG SER A 53 125.406 -19.636 6.189 1.00 0.00 O ATOM 0 H SER A 53 126.637 -19.417 3.726 1.00 0.00 H new ATOM 0 HA SER A 53 127.584 -21.152 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.850 -20.800 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.200 -21.688 6.043 1.00 0.00 H new ATOM 0 HG SER A 53 124.478 -19.517 6.480 1.00 0.00 H new ATOM 858 N LYS A 54 127.087 -23.477 4.753 1.00 0.00 N ATOM 859 CA LYS A 54 127.247 -24.738 4.050 1.00 0.00 C ATOM 860 C LYS A 54 126.363 -25.832 4.624 1.00 0.00 C ATOM 861 O LYS A 54 126.524 -27.023 4.308 1.00 0.00 O ATOM 862 CB LYS A 54 128.739 -25.141 3.989 1.00 0.00 C ATOM 863 CG LYS A 54 129.534 -25.016 5.299 1.00 0.00 C ATOM 864 CD LYS A 54 129.119 -26.017 6.363 1.00 0.00 C ATOM 865 CE LYS A 54 129.939 -25.843 7.634 1.00 0.00 C ATOM 866 NZ LYS A 54 131.398 -25.957 7.376 1.00 0.00 N ATOM 0 H LYS A 54 126.981 -23.567 5.763 1.00 0.00 H new ATOM 0 HA LYS A 54 126.907 -24.598 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.800 -26.175 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.228 -24.527 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.595 -25.147 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.411 -24.007 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.060 -25.892 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 54 129.245 -27.030 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 54 129.724 -24.869 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 54 129.640 -26.595 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.899 -26.104 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.577 -26.763 6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 131.741 -25.083 6.928 1.00 0.00 H new ATOM 880 N GLY A 55 125.439 -25.432 5.451 1.00 0.00 N ATOM 881 CA GLY A 55 124.504 -26.345 6.026 1.00 0.00 C ATOM 882 C GLY A 55 123.183 -26.181 5.341 1.00 0.00 C ATOM 883 O GLY A 55 122.570 -25.131 5.457 1.00 0.00 O ATOM 0 H GLY A 55 125.316 -24.462 5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.861 -27.369 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.401 -26.156 7.094 1.00 0.00 H new ATOM 887 N PRO A 56 122.716 -27.180 4.602 1.00 0.00 N ATOM 888 CA PRO A 56 121.487 -27.070 3.833 1.00 0.00 C ATOM 889 C PRO A 56 120.233 -26.853 4.700 1.00 0.00 C ATOM 890 O PRO A 56 119.312 -26.159 4.282 1.00 0.00 O ATOM 891 CB PRO A 56 121.418 -28.364 3.022 1.00 0.00 C ATOM 892 CG PRO A 56 122.778 -28.971 3.134 1.00 0.00 C ATOM 893 CD PRO A 56 123.347 -28.490 4.435 1.00 0.00 C ATOM 0 HA PRO A 56 121.503 -26.185 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.654 -29.035 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.161 -28.163 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.721 -30.059 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.409 -28.669 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.103 -29.164 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.434 -28.413 4.397 1.00 0.00 H new ATOM 901 N GLN A 57 120.204 -27.408 5.916 1.00 0.00 N ATOM 902 CA GLN A 57 119.069 -27.155 6.817 1.00 0.00 C ATOM 903 C GLN A 57 119.099 -25.698 7.271 1.00 0.00 C ATOM 904 O GLN A 57 118.067 -25.032 7.354 1.00 0.00 O ATOM 905 CB GLN A 57 119.013 -28.110 8.050 1.00 0.00 C ATOM 906 CG GLN A 57 120.103 -27.938 9.126 1.00 0.00 C ATOM 907 CD GLN A 57 121.512 -28.164 8.632 1.00 0.00 C ATOM 908 OE1 GLN A 57 122.175 -27.235 8.183 1.00 0.00 O ATOM 909 NE2 GLN A 57 121.983 -29.362 8.730 1.00 0.00 N ATOM 0 H GLN A 57 120.929 -28.018 6.294 1.00 0.00 H new ATOM 0 HA GLN A 57 118.163 -27.360 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 57 118.042 -27.985 8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.058 -29.136 7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 57 120.033 -26.931 9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 57 119.902 -28.631 9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 57 121.401 -30.109 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 57 122.937 -29.561 8.429 1.00 0.00 H new ATOM 918 N GLN A 58 120.316 -25.210 7.487 1.00 0.00 N ATOM 919 CA GLN A 58 120.596 -23.849 7.905 1.00 0.00 C ATOM 920 C GLN A 58 120.068 -22.884 6.865 1.00 0.00 C ATOM 921 O GLN A 58 119.530 -21.846 7.207 1.00 0.00 O ATOM 922 CB GLN A 58 122.121 -23.693 8.092 1.00 0.00 C ATOM 923 CG GLN A 58 122.633 -22.314 8.498 1.00 0.00 C ATOM 924 CD GLN A 58 122.066 -21.822 9.810 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.691 -22.612 10.672 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.101 -20.542 10.014 1.00 0.00 N ATOM 0 H GLN A 58 121.159 -25.772 7.371 1.00 0.00 H new ATOM 0 HA GLN A 58 120.102 -23.628 8.851 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.445 -24.410 8.847 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.607 -23.973 7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.720 -22.346 8.570 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.386 -21.598 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 58 122.419 -19.916 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.811 -20.161 10.915 1.00 0.00 H new ATOM 935 N ILE A 59 120.182 -23.280 5.601 1.00 0.00 N ATOM 936 CA ILE A 59 119.710 -22.491 4.470 1.00 0.00 C ATOM 937 C ILE A 59 118.234 -22.142 4.619 1.00 0.00 C ATOM 938 O ILE A 59 117.854 -21.002 4.452 1.00 0.00 O ATOM 939 CB ILE A 59 119.901 -23.243 3.127 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.366 -23.678 2.929 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.388 -22.425 1.946 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.403 -22.592 3.108 1.00 0.00 C ATOM 0 H ILE A 59 120.609 -24.166 5.331 1.00 0.00 H new ATOM 0 HA ILE A 59 120.307 -21.579 4.461 1.00 0.00 H new ATOM 0 HB ILE A 59 119.298 -24.150 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.585 -24.483 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.470 -24.092 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.539 -22.985 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.325 -22.223 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 59 119.933 -21.483 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.397 -23.008 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.222 -21.794 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.338 -22.190 4.119 1.00 0.00 H new ATOM 954 N HIS A 60 117.419 -23.137 4.968 1.00 0.00 N ATOM 955 CA HIS A 60 115.955 -22.944 5.112 1.00 0.00 C ATOM 956 C HIS A 60 115.672 -21.871 6.138 1.00 0.00 C ATOM 957 O HIS A 60 114.957 -20.907 5.876 1.00 0.00 O ATOM 958 CB HIS A 60 115.241 -24.224 5.582 1.00 0.00 C ATOM 959 CG HIS A 60 115.337 -25.422 4.692 1.00 0.00 C ATOM 960 ND1 HIS A 60 116.326 -26.318 4.533 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 114.307 -25.860 3.897 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 115.884 -27.267 3.667 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 114.667 -26.974 3.296 1.00 0.00 N flip ATOM 0 H HIS A 60 117.736 -24.088 5.158 1.00 0.00 H new ATOM 0 HA HIS A 60 115.582 -22.664 4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.641 -24.495 6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.186 -23.991 5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 60 113.352 -25.368 3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 60 116.449 -28.127 3.338 1.00 0.00 H new ATOM 0 HE2 HIS A 60 114.093 -27.516 2.650 1.00 0.00 H new ATOM 972 N LEU A 61 116.282 -22.048 7.281 1.00 0.00 N ATOM 973 CA LEU A 61 116.115 -21.195 8.445 1.00 0.00 C ATOM 974 C LEU A 61 116.566 -19.783 8.115 1.00 0.00 C ATOM 975 O LEU A 61 115.784 -18.821 8.179 1.00 0.00 O ATOM 976 CB LEU A 61 117.013 -21.738 9.543 1.00 0.00 C ATOM 977 CG LEU A 61 116.978 -23.248 9.739 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.085 -23.667 10.667 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.631 -23.704 10.263 1.00 0.00 C ATOM 0 H LEU A 61 116.934 -22.816 7.440 1.00 0.00 H new ATOM 0 HA LEU A 61 115.070 -21.180 8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.040 -21.442 9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.735 -21.262 10.483 1.00 0.00 H new ATOM 0 HG LEU A 61 117.129 -23.726 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.055 -24.748 10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.046 -23.381 10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.957 -23.176 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.638 -24.786 10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.433 -23.225 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.852 -23.429 9.552 1.00 0.00 H new ATOM 991 N LYS A 62 117.822 -19.703 7.733 1.00 0.00 N ATOM 992 CA LYS A 62 118.517 -18.468 7.391 1.00 0.00 C ATOM 993 C LYS A 62 117.772 -17.691 6.297 1.00 0.00 C ATOM 994 O LYS A 62 117.558 -16.489 6.430 1.00 0.00 O ATOM 995 CB LYS A 62 119.916 -18.839 6.904 1.00 0.00 C ATOM 996 CG LYS A 62 121.070 -18.058 7.501 1.00 0.00 C ATOM 997 CD LYS A 62 121.129 -16.612 7.059 1.00 0.00 C ATOM 998 CE LYS A 62 122.405 -15.981 7.577 1.00 0.00 C ATOM 999 NZ LYS A 62 122.587 -14.588 7.125 1.00 0.00 N ATOM 0 H LYS A 62 118.417 -20.527 7.647 1.00 0.00 H new ATOM 0 HA LYS A 62 118.568 -17.825 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.079 -19.897 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.944 -18.715 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.995 -18.092 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 62 122.005 -18.548 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.095 -16.551 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 62 120.262 -16.069 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.399 -16.005 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 62 123.257 -16.577 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.401 -14.167 7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.758 -14.575 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.731 -14.039 7.340 1.00 0.00 H new ATOM 1013 N ALA A 63 117.361 -18.387 5.235 1.00 0.00 N ATOM 1014 CA ALA A 63 116.679 -17.746 4.111 1.00 0.00 C ATOM 1015 C ALA A 63 115.366 -17.165 4.536 1.00 0.00 C ATOM 1016 O ALA A 63 115.090 -16.005 4.273 1.00 0.00 O ATOM 1017 CB ALA A 63 116.450 -18.715 2.959 1.00 0.00 C ATOM 0 H ALA A 63 117.489 -19.394 5.131 1.00 0.00 H new ATOM 0 HA ALA A 63 117.333 -16.945 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.941 -18.199 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.409 -19.093 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.836 -19.548 3.301 1.00 0.00 H new ATOM 1023 N LYS A 64 114.558 -17.957 5.211 1.00 0.00 N ATOM 1024 CA LYS A 64 113.245 -17.493 5.612 1.00 0.00 C ATOM 1025 C LYS A 64 113.314 -16.370 6.627 1.00 0.00 C ATOM 1026 O LYS A 64 112.446 -15.499 6.647 1.00 0.00 O ATOM 1027 CB LYS A 64 112.363 -18.620 6.088 1.00 0.00 C ATOM 1028 CG LYS A 64 112.127 -19.673 5.023 1.00 0.00 C ATOM 1029 CD LYS A 64 111.008 -20.588 5.409 1.00 0.00 C ATOM 1030 CE LYS A 64 110.829 -21.705 4.407 1.00 0.00 C ATOM 1031 NZ LYS A 64 109.647 -22.520 4.727 1.00 0.00 N ATOM 0 H LYS A 64 114.782 -18.912 5.490 1.00 0.00 H new ATOM 0 HA LYS A 64 112.781 -17.080 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.819 -19.088 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 64 111.404 -18.214 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 64 111.895 -19.189 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 64 113.038 -20.252 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 64 111.207 -21.011 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.082 -20.018 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 110.726 -21.286 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 64 111.718 -22.336 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 109.548 -23.279 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 109.759 -22.937 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.797 -21.920 4.711 1.00 0.00 H new ATOM 1045 N ALA A 65 114.353 -16.375 7.445 1.00 0.00 N ATOM 1046 CA ALA A 65 114.578 -15.301 8.399 1.00 0.00 C ATOM 1047 C ALA A 65 114.777 -13.980 7.654 1.00 0.00 C ATOM 1048 O ALA A 65 114.090 -12.986 7.937 1.00 0.00 O ATOM 1049 CB ALA A 65 115.782 -15.605 9.279 1.00 0.00 C ATOM 0 H ALA A 65 115.056 -17.113 7.468 1.00 0.00 H new ATOM 0 HA ALA A 65 113.703 -15.216 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.932 -14.788 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.608 -16.531 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.670 -15.714 8.656 1.00 0.00 H new ATOM 1055 N ILE A 66 115.680 -13.999 6.670 1.00 0.00 N ATOM 1056 CA ILE A 66 115.969 -12.832 5.826 1.00 0.00 C ATOM 1057 C ILE A 66 114.717 -12.455 5.027 1.00 0.00 C ATOM 1058 O ILE A 66 114.344 -11.282 4.926 1.00 0.00 O ATOM 1059 CB ILE A 66 117.148 -13.131 4.844 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.416 -13.511 5.633 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.408 -11.951 3.902 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.636 -13.830 4.782 1.00 0.00 C ATOM 0 H ILE A 66 116.233 -14.823 6.434 1.00 0.00 H new ATOM 0 HA ILE A 66 116.260 -12.003 6.471 1.00 0.00 H new ATOM 0 HB ILE A 66 116.865 -13.979 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.666 -12.690 6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.191 -14.376 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.234 -12.194 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.512 -11.751 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.663 -11.068 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.475 -14.085 5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.413 -14.673 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.895 -12.961 4.178 1.00 0.00 H new ATOM 1074 N TYR A 67 114.070 -13.470 4.491 1.00 0.00 N ATOM 1075 CA TYR A 67 112.839 -13.336 3.741 1.00 0.00 C ATOM 1076 C TYR A 67 111.781 -12.575 4.544 1.00 0.00 C ATOM 1077 O TYR A 67 111.390 -11.488 4.166 1.00 0.00 O ATOM 1078 CB TYR A 67 112.321 -14.729 3.374 1.00 0.00 C ATOM 1079 CG TYR A 67 110.980 -14.728 2.712 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.836 -14.270 1.427 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.856 -15.162 3.392 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.610 -14.238 0.821 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.625 -15.146 2.804 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.497 -14.685 1.521 1.00 0.00 C ATOM 1085 OH TYR A 67 107.256 -14.661 0.941 1.00 0.00 O ATOM 0 H TYR A 67 114.394 -14.434 4.567 1.00 0.00 H new ATOM 0 HA TYR A 67 113.041 -12.765 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.041 -15.209 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.267 -15.335 4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.705 -13.929 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.955 -15.520 4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.509 -13.870 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.758 -15.494 3.346 1.00 0.00 H new ATOM 0 HH TYR A 67 106.720 -13.947 1.345 1.00 0.00 H new ATOM 1095 N GLU A 68 111.385 -13.110 5.681 1.00 0.00 N ATOM 1096 CA GLU A 68 110.301 -12.527 6.467 1.00 0.00 C ATOM 1097 C GLU A 68 110.667 -11.184 7.097 1.00 0.00 C ATOM 1098 O GLU A 68 109.789 -10.401 7.461 1.00 0.00 O ATOM 1099 CB GLU A 68 109.790 -13.514 7.512 1.00 0.00 C ATOM 1100 CG GLU A 68 109.181 -14.767 6.898 1.00 0.00 C ATOM 1101 CD GLU A 68 108.597 -15.705 7.917 1.00 0.00 C ATOM 1102 OE1 GLU A 68 107.426 -15.525 8.301 1.00 0.00 O ATOM 1103 OE2 GLU A 68 109.279 -16.657 8.344 1.00 0.00 O ATOM 0 H GLU A 68 111.795 -13.951 6.088 1.00 0.00 H new ATOM 0 HA GLU A 68 109.492 -12.318 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.613 -13.800 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.043 -13.021 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.402 -14.476 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.947 -15.293 6.327 1.00 0.00 H new ATOM 1110 N LYS A 69 111.942 -10.916 7.195 1.00 0.00 N ATOM 1111 CA LYS A 69 112.432 -9.682 7.778 1.00 0.00 C ATOM 1112 C LYS A 69 112.520 -8.570 6.726 1.00 0.00 C ATOM 1113 O LYS A 69 112.358 -7.378 7.043 1.00 0.00 O ATOM 1114 CB LYS A 69 113.817 -9.950 8.390 1.00 0.00 C ATOM 1115 CG LYS A 69 114.502 -8.770 9.052 1.00 0.00 C ATOM 1116 CD LYS A 69 115.824 -9.207 9.667 1.00 0.00 C ATOM 1117 CE LYS A 69 116.538 -8.061 10.358 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.827 -8.489 10.940 1.00 0.00 N ATOM 0 H LYS A 69 112.677 -11.545 6.874 1.00 0.00 H new ATOM 0 HA LYS A 69 111.739 -9.347 8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.716 -10.745 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.471 -10.327 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.676 -7.983 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.855 -8.350 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.642 -10.006 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.467 -9.618 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.711 -7.257 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.900 -7.657 11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 118.285 -7.678 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.660 -9.239 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 118.445 -8.851 10.186 1.00 0.00 H new ATOM 1132 N PHE A 70 112.683 -8.957 5.475 1.00 0.00 N ATOM 1133 CA PHE A 70 113.010 -8.000 4.443 1.00 0.00 C ATOM 1134 C PHE A 70 112.176 -8.191 3.187 1.00 0.00 C ATOM 1135 O PHE A 70 111.453 -7.297 2.764 1.00 0.00 O ATOM 1136 CB PHE A 70 114.499 -8.123 4.064 1.00 0.00 C ATOM 1137 CG PHE A 70 115.493 -7.709 5.112 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.515 -6.412 5.595 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.423 -8.614 5.593 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.440 -6.028 6.542 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.355 -8.235 6.535 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.363 -6.938 7.011 1.00 0.00 C ATOM 0 H PHE A 70 112.595 -9.921 5.153 1.00 0.00 H new ATOM 0 HA PHE A 70 112.793 -7.013 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.698 -9.160 3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.675 -7.523 3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.799 -5.693 5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.418 -9.630 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.442 -5.015 6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 70 118.077 -8.950 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.091 -6.638 7.750 1.00 0.00 H new ATOM 1152 N ILE A 71 112.293 -9.361 2.607 1.00 0.00 N ATOM 1153 CA ILE A 71 111.663 -9.698 1.323 1.00 0.00 C ATOM 1154 C ILE A 71 110.145 -9.740 1.435 1.00 0.00 C ATOM 1155 O ILE A 71 109.423 -9.465 0.463 1.00 0.00 O ATOM 1156 CB ILE A 71 112.197 -11.070 0.818 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.708 -11.026 0.663 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.553 -11.502 -0.492 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.172 -10.002 -0.335 1.00 0.00 C ATOM 0 H ILE A 71 112.834 -10.127 3.008 1.00 0.00 H new ATOM 0 HA ILE A 71 111.921 -8.917 0.608 1.00 0.00 H new ATOM 0 HB ILE A 71 111.927 -11.810 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 71 114.160 -10.811 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 71 114.064 -12.010 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.962 -12.465 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.475 -11.592 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.760 -10.759 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.260 -10.022 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.748 -10.229 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.845 -9.011 -0.019 1.00 0.00 H new ATOM 1171 N GLN A 72 109.680 -10.059 2.612 1.00 0.00 N ATOM 1172 CA GLN A 72 108.270 -10.165 2.867 1.00 0.00 C ATOM 1173 C GLN A 72 107.618 -8.788 2.737 1.00 0.00 C ATOM 1174 O GLN A 72 108.239 -7.761 3.047 1.00 0.00 O ATOM 1175 CB GLN A 72 108.041 -10.739 4.263 1.00 0.00 C ATOM 1176 CG GLN A 72 106.598 -11.108 4.571 1.00 0.00 C ATOM 1177 CD GLN A 72 106.046 -12.265 3.724 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.435 -12.473 2.574 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.149 -13.021 4.279 1.00 0.00 N ATOM 0 H GLN A 72 110.269 -10.253 3.422 1.00 0.00 H new ATOM 0 HA GLN A 72 107.816 -10.835 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.662 -11.627 4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.381 -10.011 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.521 -11.376 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.970 -10.230 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 72 104.841 -12.831 5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 72 104.752 -13.805 3.762 1.00 0.00 H new ATOM 1188 N THR A 73 106.405 -8.755 2.262 1.00 0.00 N ATOM 1189 CA THR A 73 105.722 -7.507 2.107 1.00 0.00 C ATOM 1190 C THR A 73 105.283 -7.010 3.484 1.00 0.00 C ATOM 1191 O THR A 73 105.496 -5.844 3.852 1.00 0.00 O ATOM 1192 CB THR A 73 104.523 -7.645 1.168 1.00 0.00 C ATOM 1193 OG1 THR A 73 104.945 -8.292 -0.055 1.00 0.00 O ATOM 1194 CG2 THR A 73 103.998 -6.279 0.850 1.00 0.00 C ATOM 0 H THR A 73 105.872 -9.577 1.977 1.00 0.00 H new ATOM 0 HA THR A 73 106.399 -6.781 1.657 1.00 0.00 H new ATOM 0 HB THR A 73 103.744 -8.241 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.776 -7.697 -0.815 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.142 -6.365 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.690 -5.784 1.771 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.779 -5.692 0.367 1.00 0.00 H new ATOM 1202 N ASP A 74 104.674 -7.888 4.234 1.00 0.00 N ATOM 1203 CA ASP A 74 104.386 -7.620 5.625 1.00 0.00 C ATOM 1204 C ASP A 74 105.608 -8.003 6.415 1.00 0.00 C ATOM 1205 O ASP A 74 105.739 -9.127 6.890 1.00 0.00 O ATOM 1206 CB ASP A 74 103.178 -8.405 6.135 1.00 0.00 C ATOM 1207 CG ASP A 74 102.802 -8.040 7.560 1.00 0.00 C ATOM 1208 OD1 ASP A 74 101.984 -7.112 7.744 1.00 0.00 O ATOM 1209 OD2 ASP A 74 103.294 -8.680 8.519 1.00 0.00 O ATOM 0 H ASP A 74 104.364 -8.803 3.906 1.00 0.00 H new ATOM 0 HA ASP A 74 104.141 -6.564 5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.327 -8.220 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.395 -9.472 6.083 1.00 0.00 H new ATOM 1214 N ALA A 75 106.545 -7.123 6.447 1.00 0.00 N ATOM 1215 CA ALA A 75 107.774 -7.370 7.120 1.00 0.00 C ATOM 1216 C ALA A 75 108.031 -6.274 8.102 1.00 0.00 C ATOM 1217 O ALA A 75 107.515 -5.156 7.934 1.00 0.00 O ATOM 1218 CB ALA A 75 108.914 -7.454 6.122 1.00 0.00 C ATOM 0 H ALA A 75 106.482 -6.206 6.005 1.00 0.00 H new ATOM 0 HA ALA A 75 107.708 -8.321 7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.848 -7.643 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.724 -8.266 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.990 -6.513 5.577 1.00 0.00 H new ATOM 1224 N PRO A 76 108.817 -6.560 9.147 1.00 0.00 N ATOM 1225 CA PRO A 76 109.176 -5.573 10.144 1.00 0.00 C ATOM 1226 C PRO A 76 109.963 -4.424 9.537 1.00 0.00 C ATOM 1227 O PRO A 76 109.864 -3.286 9.994 1.00 0.00 O ATOM 1228 CB PRO A 76 110.057 -6.343 11.142 1.00 0.00 C ATOM 1229 CG PRO A 76 110.472 -7.582 10.431 1.00 0.00 C ATOM 1230 CD PRO A 76 109.382 -7.888 9.461 1.00 0.00 C ATOM 0 HA PRO A 76 108.294 -5.127 10.603 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.923 -5.752 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.505 -6.579 12.052 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.422 -7.436 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.612 -8.405 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.766 -8.382 8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.633 -8.551 9.895 1.00 0.00 H new ATOM 1238 N LYS A 77 110.710 -4.692 8.472 1.00 0.00 N ATOM 1239 CA LYS A 77 111.517 -3.634 7.924 1.00 0.00 C ATOM 1240 C LYS A 77 111.193 -3.366 6.469 1.00 0.00 C ATOM 1241 O LYS A 77 111.124 -2.207 6.064 1.00 0.00 O ATOM 1242 CB LYS A 77 112.999 -3.909 8.110 1.00 0.00 C ATOM 1243 CG LYS A 77 113.803 -2.635 8.226 1.00 0.00 C ATOM 1244 CD LYS A 77 115.267 -2.906 8.395 1.00 0.00 C ATOM 1245 CE LYS A 77 116.022 -1.652 8.805 1.00 0.00 C ATOM 1246 NZ LYS A 77 115.755 -0.495 7.919 1.00 0.00 N ATOM 0 H LYS A 77 110.768 -5.592 7.996 1.00 0.00 H new ATOM 0 HA LYS A 77 111.271 -2.731 8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.146 -4.513 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.367 -4.494 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 77 113.648 -2.027 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 77 113.442 -2.055 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 77 115.410 -3.681 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.677 -3.290 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 77 115.749 -1.389 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 77 117.091 -1.863 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 116.628 0.058 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 115.428 -0.836 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 115.021 0.106 8.345 1.00 0.00 H new ATOM 1260 N GLU A 78 110.986 -4.453 5.694 1.00 0.00 N ATOM 1261 CA GLU A 78 110.651 -4.391 4.245 1.00 0.00 C ATOM 1262 C GLU A 78 111.873 -3.970 3.421 1.00 0.00 C ATOM 1263 O GLU A 78 112.899 -3.555 3.979 1.00 0.00 O ATOM 1264 CB GLU A 78 109.481 -3.430 3.964 1.00 0.00 C ATOM 1265 CG GLU A 78 108.181 -3.792 4.640 1.00 0.00 C ATOM 1266 CD GLU A 78 107.182 -2.673 4.547 1.00 0.00 C ATOM 1267 OE1 GLU A 78 106.550 -2.495 3.488 1.00 0.00 O ATOM 1268 OE2 GLU A 78 107.021 -1.919 5.540 1.00 0.00 O ATOM 0 H GLU A 78 111.046 -5.406 6.053 1.00 0.00 H new ATOM 0 HA GLU A 78 110.344 -5.394 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.770 -2.428 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.314 -3.390 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.768 -4.689 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.368 -4.028 5.688 1.00 0.00 H new ATOM 1275 N VAL A 79 111.782 -4.072 2.103 1.00 0.00 N ATOM 1276 CA VAL A 79 112.896 -3.673 1.233 1.00 0.00 C ATOM 1277 C VAL A 79 112.349 -2.913 0.035 1.00 0.00 C ATOM 1278 O VAL A 79 111.221 -3.132 -0.386 1.00 0.00 O ATOM 1279 CB VAL A 79 113.768 -4.903 0.727 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.962 -4.461 -0.117 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.284 -5.709 1.875 1.00 0.00 C ATOM 0 H VAL A 79 110.961 -4.423 1.610 1.00 0.00 H new ATOM 0 HA VAL A 79 113.556 -3.042 1.828 1.00 0.00 H new ATOM 0 HB VAL A 79 113.101 -5.507 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.525 -5.337 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.607 -3.917 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.607 -3.813 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.876 -6.543 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.907 -5.080 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.445 -6.093 2.456 1.00 0.00 H new ATOM 1291 N ASN A 80 113.163 -2.043 -0.512 1.00 0.00 N ATOM 1292 CA ASN A 80 112.849 -1.234 -1.696 1.00 0.00 C ATOM 1293 C ASN A 80 113.203 -2.043 -2.951 1.00 0.00 C ATOM 1294 O ASN A 80 113.566 -1.498 -3.993 1.00 0.00 O ATOM 1295 CB ASN A 80 113.729 0.019 -1.661 1.00 0.00 C ATOM 1296 CG ASN A 80 113.678 0.739 -0.333 1.00 0.00 C ATOM 1297 OD1 ASN A 80 114.454 0.432 0.577 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.807 1.692 -0.206 1.00 0.00 N ATOM 0 H ASN A 80 114.097 -1.862 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 80 111.793 -0.964 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 80 114.760 -0.262 -1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 80 113.412 0.701 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.747 2.215 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 80 112.182 1.918 -0.980 1.00 0.00 H new ATOM 1305 N LEU A 81 113.041 -3.330 -2.837 1.00 0.00 N ATOM 1306 CA LEU A 81 113.430 -4.293 -3.841 1.00 0.00 C ATOM 1307 C LEU A 81 112.424 -4.351 -4.969 1.00 0.00 C ATOM 1308 O LEU A 81 111.227 -4.127 -4.755 1.00 0.00 O ATOM 1309 CB LEU A 81 113.556 -5.664 -3.166 1.00 0.00 C ATOM 1310 CG LEU A 81 113.850 -6.870 -4.033 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.267 -6.810 -4.506 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.582 -8.161 -3.269 1.00 0.00 C ATOM 0 H LEU A 81 112.619 -3.759 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 81 114.384 -3.996 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 81 114.345 -5.594 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.626 -5.858 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 81 113.189 -6.858 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.479 -7.678 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.419 -5.900 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.938 -6.808 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.800 -9.015 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 81 114.219 -8.199 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.536 -8.193 -2.964 1.00 0.00 H new ATOM 1324 N ASP A 82 112.932 -4.618 -6.163 1.00 0.00 N ATOM 1325 CA ASP A 82 112.129 -4.810 -7.375 1.00 0.00 C ATOM 1326 C ASP A 82 110.963 -5.755 -7.130 1.00 0.00 C ATOM 1327 O ASP A 82 111.141 -6.850 -6.549 1.00 0.00 O ATOM 1328 CB ASP A 82 113.010 -5.363 -8.495 1.00 0.00 C ATOM 1329 CG ASP A 82 112.226 -5.838 -9.699 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.934 -5.040 -10.588 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.913 -7.046 -9.768 1.00 0.00 O ATOM 0 H ASP A 82 113.935 -4.710 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 82 111.723 -3.841 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.712 -4.591 -8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.601 -6.192 -8.106 1.00 0.00 H new ATOM 1336 N PHE A 83 109.789 -5.334 -7.573 1.00 0.00 N ATOM 1337 CA PHE A 83 108.552 -6.084 -7.388 1.00 0.00 C ATOM 1338 C PHE A 83 108.615 -7.509 -7.868 1.00 0.00 C ATOM 1339 O PHE A 83 108.248 -8.421 -7.128 1.00 0.00 O ATOM 1340 CB PHE A 83 107.353 -5.381 -8.010 1.00 0.00 C ATOM 1341 CG PHE A 83 106.877 -4.217 -7.218 1.00 0.00 C ATOM 1342 CD1 PHE A 83 106.227 -4.428 -6.027 1.00 0.00 C ATOM 1343 CD2 PHE A 83 107.068 -2.926 -7.660 1.00 0.00 C ATOM 1344 CE1 PHE A 83 105.771 -3.367 -5.273 1.00 0.00 C ATOM 1345 CE2 PHE A 83 106.618 -1.853 -6.917 1.00 0.00 C ATOM 1346 CZ PHE A 83 105.967 -2.075 -5.719 1.00 0.00 C ATOM 0 H PHE A 83 109.664 -4.455 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 83 108.422 -6.121 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 83 107.618 -5.045 -9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.537 -6.096 -8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 83 106.071 -5.437 -5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 83 107.575 -2.752 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 83 105.262 -3.546 -4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 83 106.774 -0.845 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 83 105.612 -1.240 -5.133 1.00 0.00 H new ATOM 1356 N HIS A 84 109.096 -7.729 -9.059 1.00 0.00 N ATOM 1357 CA HIS A 84 109.084 -9.073 -9.591 1.00 0.00 C ATOM 1358 C HIS A 84 110.135 -9.940 -8.904 1.00 0.00 C ATOM 1359 O HIS A 84 109.937 -11.128 -8.725 1.00 0.00 O ATOM 1360 CB HIS A 84 109.201 -9.095 -11.128 1.00 0.00 C ATOM 1361 CG HIS A 84 109.276 -10.476 -11.752 1.00 0.00 C ATOM 1362 ND1 HIS A 84 108.249 -11.402 -11.714 1.00 0.00 N ATOM 1363 CD2 HIS A 84 110.278 -11.075 -12.430 1.00 0.00 C ATOM 1364 CE1 HIS A 84 108.621 -12.492 -12.340 1.00 0.00 C ATOM 1365 NE2 HIS A 84 109.843 -12.320 -12.781 1.00 0.00 N ATOM 0 H HIS A 84 109.494 -7.017 -9.672 1.00 0.00 H new ATOM 0 HA HIS A 84 108.111 -9.510 -9.366 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.343 -8.570 -11.549 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.091 -8.535 -11.416 1.00 0.00 H new ATOM 0 HD1 HIS A 84 107.343 -11.259 -11.268 1.00 0.00 H new ATOM 0 HD2 HIS A 84 111.245 -10.648 -12.653 1.00 0.00 H new ATOM 0 HE1 HIS A 84 108.022 -13.381 -12.470 1.00 0.00 H new ATOM 1374 N THR A 85 111.213 -9.328 -8.498 1.00 0.00 N ATOM 1375 CA THR A 85 112.258 -10.005 -7.786 1.00 0.00 C ATOM 1376 C THR A 85 111.745 -10.512 -6.437 1.00 0.00 C ATOM 1377 O THR A 85 111.888 -11.690 -6.124 1.00 0.00 O ATOM 1378 CB THR A 85 113.448 -9.068 -7.591 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.885 -8.605 -8.882 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.591 -9.772 -6.879 1.00 0.00 C ATOM 0 H THR A 85 111.391 -8.336 -8.654 1.00 0.00 H new ATOM 0 HA THR A 85 112.583 -10.865 -8.371 1.00 0.00 H new ATOM 0 HB THR A 85 113.140 -8.226 -6.971 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.168 -8.088 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.424 -9.080 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.254 -10.114 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 85 114.916 -10.628 -7.471 1.00 0.00 H new ATOM 1388 N LYS A 86 111.102 -9.628 -5.665 1.00 0.00 N ATOM 1389 CA LYS A 86 110.557 -10.021 -4.365 1.00 0.00 C ATOM 1390 C LYS A 86 109.450 -11.063 -4.557 1.00 0.00 C ATOM 1391 O LYS A 86 109.307 -11.979 -3.764 1.00 0.00 O ATOM 1392 CB LYS A 86 110.100 -8.776 -3.539 1.00 0.00 C ATOM 1393 CG LYS A 86 108.910 -7.987 -4.096 1.00 0.00 C ATOM 1394 CD LYS A 86 107.590 -8.412 -3.453 1.00 0.00 C ATOM 1395 CE LYS A 86 107.497 -7.927 -2.006 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.393 -6.446 -1.929 1.00 0.00 N ATOM 0 H LYS A 86 110.949 -8.651 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 86 111.342 -10.492 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.848 -9.108 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.948 -8.097 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.070 -6.922 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 86 108.851 -8.133 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 86 106.756 -8.009 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.502 -9.498 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 86 106.629 -8.378 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.376 -8.260 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 107.048 -6.171 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 108.329 -6.023 -2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 106.729 -6.106 -2.654 1.00 0.00 H new ATOM 1410 N GLU A 87 108.735 -10.935 -5.668 1.00 0.00 N ATOM 1411 CA GLU A 87 107.685 -11.865 -6.067 1.00 0.00 C ATOM 1412 C GLU A 87 108.256 -13.275 -6.240 1.00 0.00 C ATOM 1413 O GLU A 87 107.756 -14.238 -5.650 1.00 0.00 O ATOM 1414 CB GLU A 87 107.063 -11.377 -7.371 1.00 0.00 C ATOM 1415 CG GLU A 87 106.052 -12.301 -8.003 1.00 0.00 C ATOM 1416 CD GLU A 87 105.505 -11.716 -9.266 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.511 -10.955 -9.208 1.00 0.00 O ATOM 1418 OE2 GLU A 87 106.064 -11.966 -10.340 1.00 0.00 O ATOM 0 H GLU A 87 108.871 -10.169 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 87 106.920 -11.906 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.583 -10.416 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 87 107.864 -11.199 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.517 -13.263 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.238 -12.488 -7.303 1.00 0.00 H new ATOM 1425 N VAL A 88 109.320 -13.385 -7.004 1.00 0.00 N ATOM 1426 CA VAL A 88 109.949 -14.666 -7.234 1.00 0.00 C ATOM 1427 C VAL A 88 110.412 -15.279 -5.917 1.00 0.00 C ATOM 1428 O VAL A 88 110.190 -16.457 -5.674 1.00 0.00 O ATOM 1429 CB VAL A 88 111.122 -14.579 -8.246 1.00 0.00 C ATOM 1430 CG1 VAL A 88 111.775 -15.941 -8.435 1.00 0.00 C ATOM 1431 CG2 VAL A 88 110.615 -14.064 -9.579 1.00 0.00 C ATOM 0 H VAL A 88 109.768 -12.601 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 88 109.197 -15.317 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 88 111.868 -13.890 -7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 88 112.595 -15.856 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 88 112.161 -16.295 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.037 -16.649 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 88 111.443 -14.005 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 88 109.855 -14.743 -9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.181 -13.073 -9.445 1.00 0.00 H new ATOM 1441 N ILE A 89 110.969 -14.463 -5.040 1.00 0.00 N ATOM 1442 CA ILE A 89 111.438 -14.953 -3.749 1.00 0.00 C ATOM 1443 C ILE A 89 110.253 -15.438 -2.908 1.00 0.00 C ATOM 1444 O ILE A 89 110.324 -16.498 -2.299 1.00 0.00 O ATOM 1445 CB ILE A 89 112.210 -13.883 -2.957 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.279 -13.246 -3.836 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.859 -14.517 -1.715 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.963 -12.071 -3.193 1.00 0.00 C ATOM 0 H ILE A 89 111.109 -13.464 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 89 112.122 -15.777 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 89 111.512 -13.109 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.027 -13.998 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.823 -12.923 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.404 -13.754 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.085 -14.946 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.549 -15.301 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.711 -11.668 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.226 -11.301 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.448 -12.392 -2.271 1.00 0.00 H new ATOM 1460 N THR A 90 109.140 -14.693 -2.926 1.00 0.00 N ATOM 1461 CA THR A 90 107.948 -15.090 -2.171 1.00 0.00 C ATOM 1462 C THR A 90 107.387 -16.435 -2.673 1.00 0.00 C ATOM 1463 O THR A 90 106.678 -17.148 -1.949 1.00 0.00 O ATOM 1464 CB THR A 90 106.820 -13.997 -2.185 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.386 -13.710 -3.520 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.288 -12.707 -1.536 1.00 0.00 C ATOM 0 H THR A 90 109.041 -13.823 -3.449 1.00 0.00 H new ATOM 0 HA THR A 90 108.275 -15.204 -1.138 1.00 0.00 H new ATOM 0 HB THR A 90 105.986 -14.405 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 90 106.867 -14.285 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.483 -11.973 -1.563 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.567 -12.901 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.151 -12.319 -2.078 1.00 0.00 H new ATOM 1474 N ASN A 91 107.729 -16.783 -3.906 1.00 0.00 N ATOM 1475 CA ASN A 91 107.273 -18.021 -4.528 1.00 0.00 C ATOM 1476 C ASN A 91 108.365 -19.088 -4.533 1.00 0.00 C ATOM 1477 O ASN A 91 108.116 -20.236 -4.896 1.00 0.00 O ATOM 1478 CB ASN A 91 106.834 -17.758 -5.971 1.00 0.00 C ATOM 1479 CG ASN A 91 105.677 -16.789 -6.082 1.00 0.00 C ATOM 1480 OD1 ASN A 91 104.809 -16.720 -5.206 1.00 0.00 O ATOM 1481 ND2 ASN A 91 105.656 -16.030 -7.140 1.00 0.00 N ATOM 0 H ASN A 91 108.330 -16.216 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 91 106.432 -18.386 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 91 107.681 -17.367 -6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 91 106.552 -18.703 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 91 104.906 -15.351 -7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 91 106.390 -16.115 -7.843 1.00 0.00 H new ATOM 1488 N SER A 92 109.571 -18.723 -4.136 1.00 0.00 N ATOM 1489 CA SER A 92 110.685 -19.659 -4.188 1.00 0.00 C ATOM 1490 C SER A 92 111.351 -19.865 -2.823 1.00 0.00 C ATOM 1491 O SER A 92 112.319 -20.611 -2.714 1.00 0.00 O ATOM 1492 CB SER A 92 111.714 -19.161 -5.196 1.00 0.00 C ATOM 1493 OG SER A 92 111.091 -18.860 -6.438 1.00 0.00 O ATOM 0 H SER A 92 109.805 -17.797 -3.778 1.00 0.00 H new ATOM 0 HA SER A 92 110.286 -20.626 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.211 -18.272 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 92 112.484 -19.919 -5.343 1.00 0.00 H new ATOM 0 HG SER A 92 110.810 -17.921 -6.444 1.00 0.00 H new ATOM 1499 N ILE A 93 110.814 -19.254 -1.784 1.00 0.00 N ATOM 1500 CA ILE A 93 111.420 -19.348 -0.455 1.00 0.00 C ATOM 1501 C ILE A 93 111.059 -20.712 0.157 1.00 0.00 C ATOM 1502 O ILE A 93 111.681 -21.180 1.111 1.00 0.00 O ATOM 1503 CB ILE A 93 110.956 -18.181 0.475 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.832 -18.096 1.731 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.496 -18.344 0.860 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.269 -17.681 1.454 1.00 0.00 C ATOM 0 H ILE A 93 109.966 -18.689 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 93 112.502 -19.261 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 93 111.065 -17.250 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.386 -17.384 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.834 -19.067 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.196 -17.520 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 93 108.880 -18.342 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.362 -19.288 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.824 -17.644 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.734 -18.405 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.280 -16.696 0.987 1.00 0.00 H new ATOM 1518 N THR A 94 110.023 -21.314 -0.408 1.00 0.00 N ATOM 1519 CA THR A 94 109.594 -22.668 -0.085 1.00 0.00 C ATOM 1520 C THR A 94 110.754 -23.683 -0.316 1.00 0.00 C ATOM 1521 O THR A 94 110.862 -24.699 0.377 1.00 0.00 O ATOM 1522 CB THR A 94 108.333 -23.054 -0.931 1.00 0.00 C ATOM 1523 OG1 THR A 94 107.881 -24.379 -0.620 1.00 0.00 O ATOM 1524 CG2 THR A 94 108.599 -22.936 -2.432 1.00 0.00 C ATOM 0 H THR A 94 109.445 -20.866 -1.119 1.00 0.00 H new ATOM 0 HA THR A 94 109.323 -22.705 0.970 1.00 0.00 H new ATOM 0 HB THR A 94 107.549 -22.345 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.093 -24.591 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 94 107.700 -23.212 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 94 108.872 -21.909 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 94 109.415 -23.603 -2.710 1.00 0.00 H new ATOM 1532 N GLN A 95 111.636 -23.362 -1.250 1.00 0.00 N ATOM 1533 CA GLN A 95 112.798 -24.157 -1.557 1.00 0.00 C ATOM 1534 C GLN A 95 113.986 -23.248 -1.747 1.00 0.00 C ATOM 1535 O GLN A 95 114.330 -22.878 -2.884 1.00 0.00 O ATOM 1536 CB GLN A 95 112.607 -25.043 -2.795 1.00 0.00 C ATOM 1537 CG GLN A 95 111.745 -26.265 -2.572 1.00 0.00 C ATOM 1538 CD GLN A 95 112.338 -27.228 -1.549 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.655 -27.296 -1.466 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 111.605 -27.933 -0.852 1.00 0.00 N flip ATOM 0 H GLN A 95 111.555 -22.522 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 95 112.965 -24.831 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 95 112.164 -24.443 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 95 113.586 -25.366 -3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 95 110.756 -25.950 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.610 -26.787 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 95 110.592 -27.857 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 95 112.012 -28.592 -0.188 1.00 0.00 H new ATOM 1549 N PRO A 96 114.587 -22.808 -0.645 1.00 0.00 N ATOM 1550 CA PRO A 96 115.725 -21.927 -0.685 1.00 0.00 C ATOM 1551 C PRO A 96 117.003 -22.653 -1.026 1.00 0.00 C ATOM 1552 O PRO A 96 117.129 -23.878 -0.846 1.00 0.00 O ATOM 1553 CB PRO A 96 115.782 -21.356 0.723 1.00 0.00 C ATOM 1554 CG PRO A 96 115.255 -22.449 1.575 1.00 0.00 C ATOM 1555 CD PRO A 96 114.193 -23.123 0.745 1.00 0.00 C ATOM 0 HA PRO A 96 115.625 -21.165 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.800 -21.087 1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.178 -20.453 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.044 -23.150 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 96 114.839 -22.058 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.169 -24.198 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.199 -22.740 0.977 1.00 0.00 H new ATOM 1563 N THR A 97 117.919 -21.912 -1.518 1.00 0.00 N ATOM 1564 CA THR A 97 119.184 -22.393 -1.903 1.00 0.00 C ATOM 1565 C THR A 97 120.162 -21.248 -1.611 1.00 0.00 C ATOM 1566 O THR A 97 119.724 -20.213 -1.119 1.00 0.00 O ATOM 1567 CB THR A 97 119.191 -22.741 -3.408 1.00 0.00 C ATOM 1568 OG1 THR A 97 117.860 -23.123 -3.846 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.100 -23.911 -3.630 1.00 0.00 C ATOM 0 H THR A 97 117.801 -20.910 -1.669 1.00 0.00 H new ATOM 0 HA THR A 97 119.455 -23.302 -1.366 1.00 0.00 H new ATOM 0 HB THR A 97 119.526 -21.868 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 97 117.880 -23.339 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.113 -24.166 -4.690 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.109 -23.655 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.741 -24.765 -3.056 1.00 0.00 H new ATOM 1577 N LEU A 98 121.439 -21.396 -1.948 1.00 0.00 N ATOM 1578 CA LEU A 98 122.471 -20.396 -1.608 1.00 0.00 C ATOM 1579 C LEU A 98 122.184 -18.981 -2.135 1.00 0.00 C ATOM 1580 O LEU A 98 122.674 -18.000 -1.580 1.00 0.00 O ATOM 1581 CB LEU A 98 123.892 -20.850 -2.005 1.00 0.00 C ATOM 1582 CG LEU A 98 124.494 -22.040 -1.226 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.402 -21.818 0.273 1.00 0.00 C ATOM 1584 CD2 LEU A 98 123.870 -23.370 -1.622 1.00 0.00 C ATOM 0 H LEU A 98 121.796 -22.202 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 98 122.425 -20.330 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 98 123.881 -21.110 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.563 -19.998 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 98 125.548 -22.092 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 98 124.834 -22.672 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.950 -20.915 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 98 123.357 -21.708 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 98 124.329 -24.173 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 98 122.799 -23.344 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 98 124.035 -23.547 -2.685 1.00 0.00 H new ATOM 1596 N HIS A 99 121.428 -18.857 -3.205 1.00 0.00 N ATOM 1597 CA HIS A 99 121.057 -17.545 -3.693 1.00 0.00 C ATOM 1598 C HIS A 99 119.574 -17.445 -3.981 1.00 0.00 C ATOM 1599 O HIS A 99 119.156 -17.286 -5.116 1.00 0.00 O ATOM 1600 CB HIS A 99 121.913 -17.039 -4.890 1.00 0.00 C ATOM 1601 CG HIS A 99 123.324 -16.660 -4.531 1.00 0.00 C ATOM 1602 ND1 HIS A 99 123.765 -15.347 -4.399 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.387 -17.432 -4.242 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.023 -15.351 -4.030 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.422 -16.608 -3.934 1.00 0.00 N ATOM 0 H HIS A 99 121.062 -19.638 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 99 121.286 -16.866 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 99 121.942 -17.816 -5.654 1.00 0.00 H new ATOM 0 HB3 HIS A 99 121.419 -16.174 -5.334 1.00 0.00 H new ATOM 0 HD1 HIS A 99 123.200 -14.514 -4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.413 -18.512 -4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 99 125.629 -14.478 -3.838 1.00 0.00 H new ATOM 1614 N SER A 100 118.770 -17.571 -2.944 1.00 0.00 N ATOM 1615 CA SER A 100 117.329 -17.377 -3.075 1.00 0.00 C ATOM 1616 C SER A 100 117.001 -15.894 -3.117 1.00 0.00 C ATOM 1617 O SER A 100 115.860 -15.491 -3.302 1.00 0.00 O ATOM 1618 CB SER A 100 116.610 -18.076 -1.939 1.00 0.00 C ATOM 1619 OG SER A 100 116.921 -19.440 -1.991 1.00 0.00 O ATOM 0 H SER A 100 119.083 -17.806 -2.002 1.00 0.00 H new ATOM 0 HA SER A 100 116.987 -17.817 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 100 116.914 -17.654 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 100 115.533 -17.929 -2.024 1.00 0.00 H new ATOM 0 HG SER A 100 117.331 -19.649 -2.856 1.00 0.00 H new ATOM 1625 N PHE A 101 118.025 -15.106 -2.940 1.00 0.00 N ATOM 1626 CA PHE A 101 117.946 -13.675 -3.008 1.00 0.00 C ATOM 1627 C PHE A 101 118.918 -13.239 -4.097 1.00 0.00 C ATOM 1628 O PHE A 101 119.415 -12.122 -4.089 1.00 0.00 O ATOM 1629 CB PHE A 101 118.366 -13.065 -1.656 1.00 0.00 C ATOM 1630 CG PHE A 101 117.719 -13.711 -0.455 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.407 -13.434 -0.108 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.436 -14.608 0.328 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.827 -14.041 0.994 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.861 -15.208 1.422 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.558 -14.924 1.753 1.00 0.00 C ATOM 0 H PHE A 101 118.963 -15.452 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 101 116.931 -13.343 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.449 -13.143 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.121 -12.003 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.831 -12.739 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.460 -14.837 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.803 -13.821 1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.432 -15.902 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.106 -15.396 2.613 1.00 0.00 H new ATOM 1645 N ASP A 102 119.151 -14.152 -5.058 1.00 0.00 N ATOM 1646 CA ASP A 102 120.118 -13.948 -6.156 1.00 0.00 C ATOM 1647 C ASP A 102 119.900 -12.654 -6.900 1.00 0.00 C ATOM 1648 O ASP A 102 120.802 -11.812 -6.983 1.00 0.00 O ATOM 1649 CB ASP A 102 120.068 -15.101 -7.158 1.00 0.00 C ATOM 1650 CG ASP A 102 121.008 -14.889 -8.327 1.00 0.00 C ATOM 1651 OD1 ASP A 102 122.233 -15.002 -8.145 1.00 0.00 O ATOM 1652 OD2 ASP A 102 120.537 -14.590 -9.442 1.00 0.00 O ATOM 0 H ASP A 102 118.674 -15.053 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 102 121.097 -13.907 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.326 -16.031 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 102 119.049 -15.212 -7.530 1.00 0.00 H new ATOM 1657 N ALA A 103 118.703 -12.480 -7.389 1.00 0.00 N ATOM 1658 CA ALA A 103 118.372 -11.331 -8.188 1.00 0.00 C ATOM 1659 C ALA A 103 118.268 -10.114 -7.306 1.00 0.00 C ATOM 1660 O ALA A 103 118.660 -9.020 -7.686 1.00 0.00 O ATOM 1661 CB ALA A 103 117.070 -11.567 -8.934 1.00 0.00 C ATOM 0 H ALA A 103 117.930 -13.130 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 103 119.159 -11.165 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 103 116.831 -10.690 -9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.176 -12.435 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.268 -11.746 -8.218 1.00 0.00 H new ATOM 1667 N ALA A 104 117.783 -10.333 -6.106 1.00 0.00 N ATOM 1668 CA ALA A 104 117.581 -9.284 -5.138 1.00 0.00 C ATOM 1669 C ALA A 104 118.887 -8.637 -4.704 1.00 0.00 C ATOM 1670 O ALA A 104 118.934 -7.425 -4.472 1.00 0.00 O ATOM 1671 CB ALA A 104 116.782 -9.801 -3.967 1.00 0.00 C ATOM 0 H ALA A 104 117.514 -11.258 -5.772 1.00 0.00 H new ATOM 0 HA ALA A 104 117.005 -8.492 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.637 -8.999 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.812 -10.155 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.319 -10.623 -3.494 1.00 0.00 H new ATOM 1677 N GLN A 105 119.939 -9.430 -4.630 1.00 0.00 N ATOM 1678 CA GLN A 105 121.265 -8.934 -4.311 1.00 0.00 C ATOM 1679 C GLN A 105 121.732 -7.957 -5.393 1.00 0.00 C ATOM 1680 O GLN A 105 122.268 -6.880 -5.097 1.00 0.00 O ATOM 1681 CB GLN A 105 122.244 -10.109 -4.141 1.00 0.00 C ATOM 1682 CG GLN A 105 123.690 -9.700 -3.917 1.00 0.00 C ATOM 1683 CD GLN A 105 124.581 -10.861 -3.530 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.340 -12.011 -3.899 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.622 -10.573 -2.800 1.00 0.00 N ATOM 0 H GLN A 105 119.899 -10.437 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 105 121.233 -8.393 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.918 -10.718 -3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.192 -10.740 -5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 105 124.077 -9.240 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 105 123.730 -8.942 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.792 -9.609 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 105 126.267 -11.311 -2.517 1.00 0.00 H new ATOM 1694 N SER A 106 121.479 -8.310 -6.630 1.00 0.00 N ATOM 1695 CA SER A 106 121.813 -7.464 -7.742 1.00 0.00 C ATOM 1696 C SER A 106 120.892 -6.221 -7.773 1.00 0.00 C ATOM 1697 O SER A 106 121.341 -5.106 -8.078 1.00 0.00 O ATOM 1698 CB SER A 106 121.725 -8.277 -9.032 1.00 0.00 C ATOM 1699 OG SER A 106 122.544 -9.447 -8.925 1.00 0.00 O ATOM 0 H SER A 106 121.036 -9.191 -6.890 1.00 0.00 H new ATOM 0 HA SER A 106 122.834 -7.097 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.690 -8.562 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 106 122.050 -7.671 -9.878 1.00 0.00 H new ATOM 0 HG SER A 106 122.483 -9.966 -9.754 1.00 0.00 H new ATOM 1705 N ARG A 107 119.616 -6.417 -7.401 1.00 0.00 N ATOM 1706 CA ARG A 107 118.644 -5.327 -7.356 1.00 0.00 C ATOM 1707 C ARG A 107 119.041 -4.271 -6.365 1.00 0.00 C ATOM 1708 O ARG A 107 119.172 -3.124 -6.719 1.00 0.00 O ATOM 1709 CB ARG A 107 117.226 -5.795 -7.033 1.00 0.00 C ATOM 1710 CG ARG A 107 116.602 -6.757 -8.023 1.00 0.00 C ATOM 1711 CD ARG A 107 116.734 -6.286 -9.461 1.00 0.00 C ATOM 1712 NE ARG A 107 116.151 -4.957 -9.720 1.00 0.00 N ATOM 1713 CZ ARG A 107 116.311 -4.291 -10.878 1.00 0.00 C ATOM 1714 NH1 ARG A 107 117.064 -4.817 -11.837 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.712 -3.120 -11.077 1.00 0.00 N ATOM 0 H ARG A 107 119.239 -7.325 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 107 118.642 -4.909 -8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.236 -6.270 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.584 -4.918 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.074 -7.734 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.547 -6.886 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 107 117.790 -6.265 -9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 107 116.254 -7.014 -10.115 1.00 0.00 H new ATOM 0 HE ARG A 107 115.598 -4.520 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.516 -5.720 -11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 107 117.190 -4.318 -12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 107 115.124 -2.718 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 107 115.841 -2.625 -11.959 1.00 0.00 H new ATOM 1729 N VAL A 108 119.271 -4.669 -5.134 1.00 0.00 N ATOM 1730 CA VAL A 108 119.615 -3.722 -4.083 1.00 0.00 C ATOM 1731 C VAL A 108 120.949 -3.019 -4.365 1.00 0.00 C ATOM 1732 O VAL A 108 121.130 -1.849 -4.030 1.00 0.00 O ATOM 1733 CB VAL A 108 119.596 -4.386 -2.690 1.00 0.00 C ATOM 1734 CG1 VAL A 108 120.049 -3.416 -1.619 1.00 0.00 C ATOM 1735 CG2 VAL A 108 118.192 -4.866 -2.382 1.00 0.00 C ATOM 0 H VAL A 108 119.227 -5.642 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 108 118.845 -2.950 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 108 120.285 -5.231 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 108 120.026 -3.910 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 108 121.065 -3.085 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 108 119.382 -2.554 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 108 118.176 -5.336 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.507 -4.018 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.882 -5.590 -3.135 1.00 0.00 H new ATOM 1745 N TYR A 109 121.851 -3.718 -5.011 1.00 0.00 N ATOM 1746 CA TYR A 109 123.116 -3.140 -5.423 1.00 0.00 C ATOM 1747 C TYR A 109 122.891 -1.942 -6.373 1.00 0.00 C ATOM 1748 O TYR A 109 123.352 -0.833 -6.100 1.00 0.00 O ATOM 1749 CB TYR A 109 123.983 -4.225 -6.079 1.00 0.00 C ATOM 1750 CG TYR A 109 125.226 -3.733 -6.796 1.00 0.00 C ATOM 1751 CD1 TYR A 109 125.163 -3.346 -8.130 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.452 -3.672 -6.155 1.00 0.00 C ATOM 1753 CE1 TYR A 109 126.268 -2.910 -8.801 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.578 -3.241 -6.825 1.00 0.00 C ATOM 1755 CZ TYR A 109 127.479 -2.860 -8.150 1.00 0.00 C ATOM 1756 OH TYR A 109 128.603 -2.443 -8.823 1.00 0.00 O ATOM 0 H TYR A 109 121.734 -4.698 -5.267 1.00 0.00 H new ATOM 0 HA TYR A 109 123.640 -2.759 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.287 -4.935 -5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.368 -4.773 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 109 124.216 -3.392 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.527 -3.965 -5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 109 126.193 -2.607 -9.835 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.531 -3.201 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 109 129.062 -1.754 -8.298 1.00 0.00 H new ATOM 1766 N GLN A 110 122.147 -2.164 -7.458 1.00 0.00 N ATOM 1767 CA GLN A 110 121.899 -1.106 -8.450 1.00 0.00 C ATOM 1768 C GLN A 110 121.027 -0.020 -7.841 1.00 0.00 C ATOM 1769 O GLN A 110 121.178 1.167 -8.128 1.00 0.00 O ATOM 1770 CB GLN A 110 121.267 -1.706 -9.741 1.00 0.00 C ATOM 1771 CG GLN A 110 119.856 -2.312 -9.589 1.00 0.00 C ATOM 1772 CD GLN A 110 118.718 -1.283 -9.656 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.924 -0.228 -10.399 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 117.653 -1.457 -9.040 1.00 0.00 N flip ATOM 0 H GLN A 110 121.707 -3.058 -7.675 1.00 0.00 H new ATOM 0 HA GLN A 110 122.847 -0.650 -8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 110 121.224 -0.923 -10.498 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.934 -2.480 -10.121 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.706 -3.055 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.799 -2.838 -8.636 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.525 -2.292 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 110 116.907 -0.765 -9.106 1.00 0.00 H new ATOM 1783 N LEU A 111 120.141 -0.463 -6.979 1.00 0.00 N ATOM 1784 CA LEU A 111 119.211 0.361 -6.270 1.00 0.00 C ATOM 1785 C LEU A 111 119.957 1.378 -5.415 1.00 0.00 C ATOM 1786 O LEU A 111 119.722 2.577 -5.520 1.00 0.00 O ATOM 1787 CB LEU A 111 118.355 -0.550 -5.407 1.00 0.00 C ATOM 1788 CG LEU A 111 117.310 0.091 -4.554 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.208 0.711 -5.406 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.764 -0.910 -3.554 1.00 0.00 C ATOM 0 H LEU A 111 120.051 -1.453 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 111 118.580 0.917 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.861 -1.267 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 111 119.019 -1.118 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 111 117.767 0.906 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.462 1.170 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.637 1.470 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.736 -0.064 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 111 116.003 -0.431 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 111 116.322 -1.752 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.574 -1.267 -2.918 1.00 0.00 H new ATOM 1802 N MET A 112 120.884 0.893 -4.598 1.00 0.00 N ATOM 1803 CA MET A 112 121.687 1.772 -3.766 1.00 0.00 C ATOM 1804 C MET A 112 122.541 2.673 -4.595 1.00 0.00 C ATOM 1805 O MET A 112 122.749 3.799 -4.230 1.00 0.00 O ATOM 1806 CB MET A 112 122.571 1.022 -2.797 1.00 0.00 C ATOM 1807 CG MET A 112 121.851 0.389 -1.645 1.00 0.00 C ATOM 1808 SD MET A 112 122.990 -0.436 -0.537 1.00 0.00 S ATOM 1809 CE MET A 112 123.686 -1.633 -1.649 1.00 0.00 C ATOM 0 H MET A 112 121.096 -0.100 -4.496 1.00 0.00 H new ATOM 0 HA MET A 112 120.973 2.361 -3.190 1.00 0.00 H new ATOM 0 HB2 MET A 112 123.106 0.245 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 112 123.320 1.710 -2.405 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.296 1.151 -1.098 1.00 0.00 H new ATOM 0 HG3 MET A 112 121.121 -0.329 -2.020 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.695 -2.612 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 112 123.085 -1.678 -2.557 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.706 -1.344 -1.903 1.00 0.00 H new ATOM 1819 N GLU A 113 123.029 2.167 -5.706 1.00 0.00 N ATOM 1820 CA GLU A 113 123.848 2.940 -6.614 1.00 0.00 C ATOM 1821 C GLU A 113 123.075 4.195 -7.075 1.00 0.00 C ATOM 1822 O GLU A 113 123.401 5.327 -6.675 1.00 0.00 O ATOM 1823 CB GLU A 113 124.283 2.031 -7.793 1.00 0.00 C ATOM 1824 CG GLU A 113 125.279 2.619 -8.803 1.00 0.00 C ATOM 1825 CD GLU A 113 124.670 3.622 -9.749 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.848 3.219 -10.602 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.023 4.815 -9.695 1.00 0.00 O ATOM 0 H GLU A 113 122.869 1.205 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 113 124.752 3.294 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.721 1.124 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.387 1.732 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 113 126.094 3.096 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.716 1.806 -9.383 1.00 0.00 H new ATOM 1834 N GLN A 114 122.009 3.984 -7.803 1.00 0.00 N ATOM 1835 CA GLN A 114 121.256 5.083 -8.374 1.00 0.00 C ATOM 1836 C GLN A 114 120.600 5.978 -7.315 1.00 0.00 C ATOM 1837 O GLN A 114 120.504 7.193 -7.506 1.00 0.00 O ATOM 1838 CB GLN A 114 120.211 4.581 -9.356 1.00 0.00 C ATOM 1839 CG GLN A 114 119.216 3.611 -8.753 1.00 0.00 C ATOM 1840 CD GLN A 114 118.083 3.268 -9.685 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.712 4.190 -10.533 1.00 0.00 O flip ATOM 1842 NE2 GLN A 114 117.535 2.172 -9.633 1.00 0.00 N flip ATOM 0 H GLN A 114 121.637 3.059 -8.018 1.00 0.00 H new ATOM 0 HA GLN A 114 121.981 5.698 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.670 5.435 -9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.716 4.096 -10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.736 2.695 -8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.808 4.041 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.851 1.475 -8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.764 1.957 -10.265 1.00 0.00 H new ATOM 1851 N ASP A 115 120.177 5.396 -6.212 1.00 0.00 N ATOM 1852 CA ASP A 115 119.461 6.152 -5.186 1.00 0.00 C ATOM 1853 C ASP A 115 120.418 6.779 -4.180 1.00 0.00 C ATOM 1854 O ASP A 115 120.534 7.998 -4.087 1.00 0.00 O ATOM 1855 CB ASP A 115 118.455 5.238 -4.462 1.00 0.00 C ATOM 1856 CG ASP A 115 117.536 5.974 -3.506 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.551 6.598 -3.987 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.730 5.887 -2.264 1.00 0.00 O ATOM 0 H ASP A 115 120.312 4.408 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 115 118.924 6.960 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.850 4.719 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 115 119.004 4.476 -3.909 1.00 0.00 H new ATOM 1863 N SER A 116 121.141 5.945 -3.483 1.00 0.00 N ATOM 1864 CA SER A 116 121.987 6.382 -2.401 1.00 0.00 C ATOM 1865 C SER A 116 123.385 6.817 -2.849 1.00 0.00 C ATOM 1866 O SER A 116 123.882 7.797 -2.363 1.00 0.00 O ATOM 1867 CB SER A 116 122.083 5.277 -1.350 1.00 0.00 C ATOM 1868 OG SER A 116 120.794 4.909 -0.908 1.00 0.00 O ATOM 0 H SER A 116 121.161 4.939 -3.649 1.00 0.00 H new ATOM 0 HA SER A 116 121.521 7.271 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.592 4.410 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.681 5.620 -0.505 1.00 0.00 H new ATOM 0 HG SER A 116 120.869 4.199 -0.236 1.00 0.00 H new ATOM 1874 N TYR A 117 123.988 6.117 -3.796 1.00 0.00 N ATOM 1875 CA TYR A 117 125.376 6.365 -4.191 1.00 0.00 C ATOM 1876 C TYR A 117 125.543 7.723 -4.834 1.00 0.00 C ATOM 1877 O TYR A 117 126.510 8.422 -4.568 1.00 0.00 O ATOM 1878 CB TYR A 117 125.875 5.218 -5.072 1.00 0.00 C ATOM 1879 CG TYR A 117 127.214 5.397 -5.741 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.374 5.577 -5.011 1.00 0.00 C ATOM 1881 CD2 TYR A 117 127.306 5.366 -7.123 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.588 5.721 -5.646 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.512 5.503 -7.759 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.646 5.679 -7.020 1.00 0.00 C ATOM 1885 OH TYR A 117 130.851 5.817 -7.657 1.00 0.00 O ATOM 0 H TYR A 117 123.537 5.363 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 117 126.000 6.390 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.921 4.317 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 117 125.131 5.039 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.328 5.605 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.410 5.231 -7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.489 5.866 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.565 5.472 -8.837 1.00 0.00 H new ATOM 0 HH TYR A 117 131.577 5.623 -7.028 1.00 0.00 H new ATOM 1895 N THR A 118 124.585 8.109 -5.623 1.00 0.00 N ATOM 1896 CA THR A 118 124.599 9.411 -6.250 1.00 0.00 C ATOM 1897 C THR A 118 124.505 10.525 -5.180 1.00 0.00 C ATOM 1898 O THR A 118 125.273 11.518 -5.194 1.00 0.00 O ATOM 1899 CB THR A 118 123.443 9.515 -7.258 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.212 9.124 -6.613 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.700 8.608 -8.444 1.00 0.00 C ATOM 0 H THR A 118 123.772 7.538 -5.854 1.00 0.00 H new ATOM 0 HA THR A 118 125.539 9.541 -6.787 1.00 0.00 H new ATOM 0 HB THR A 118 123.367 10.544 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.783 8.412 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.874 8.691 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.628 8.904 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.783 7.576 -8.102 1.00 0.00 H new ATOM 1909 N ARG A 119 123.605 10.330 -4.231 1.00 0.00 N ATOM 1910 CA ARG A 119 123.419 11.265 -3.136 1.00 0.00 C ATOM 1911 C ARG A 119 124.633 11.237 -2.208 1.00 0.00 C ATOM 1912 O ARG A 119 125.038 12.263 -1.669 1.00 0.00 O ATOM 1913 CB ARG A 119 122.136 10.952 -2.375 1.00 0.00 C ATOM 1914 CG ARG A 119 120.866 11.139 -3.198 1.00 0.00 C ATOM 1915 CD ARG A 119 119.629 10.767 -2.402 1.00 0.00 C ATOM 1916 NE ARG A 119 119.513 11.568 -1.182 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.554 11.074 0.054 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.591 9.773 0.242 1.00 0.00 N ATOM 1919 NH2 ARG A 119 119.532 11.891 1.095 1.00 0.00 N ATOM 0 H ARG A 119 122.985 9.521 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 119 123.325 12.271 -3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.178 9.922 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.083 11.591 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 119 120.792 12.176 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 119 120.920 10.525 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 119 118.742 10.911 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.668 9.709 -2.141 1.00 0.00 H new ATOM 0 HE ARG A 119 119.392 12.575 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.588 9.142 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.622 9.395 1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 119 119.484 12.900 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 119 119.563 11.512 2.041 1.00 0.00 H new ATOM 1933 N PHE A 120 125.199 10.053 -2.042 1.00 0.00 N ATOM 1934 CA PHE A 120 126.429 9.837 -1.307 1.00 0.00 C ATOM 1935 C PHE A 120 127.531 10.679 -1.907 1.00 0.00 C ATOM 1936 O PHE A 120 128.159 11.440 -1.201 1.00 0.00 O ATOM 1937 CB PHE A 120 126.801 8.333 -1.313 1.00 0.00 C ATOM 1938 CG PHE A 120 128.191 7.990 -0.828 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.492 7.936 0.524 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.192 7.698 -1.743 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.772 7.601 0.947 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.460 7.370 -1.325 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.750 7.319 0.021 1.00 0.00 C ATOM 0 H PHE A 120 124.803 9.195 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 120 126.291 10.139 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.080 7.799 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.690 7.956 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.726 8.156 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.972 7.729 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.999 7.562 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.229 7.152 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.745 7.058 0.349 1.00 0.00 H new ATOM 1953 N LEU A 121 127.695 10.591 -3.220 1.00 0.00 N ATOM 1954 CA LEU A 121 128.706 11.358 -3.947 1.00 0.00 C ATOM 1955 C LEU A 121 128.557 12.856 -3.718 1.00 0.00 C ATOM 1956 O LEU A 121 129.541 13.593 -3.735 1.00 0.00 O ATOM 1957 CB LEU A 121 128.647 11.062 -5.451 1.00 0.00 C ATOM 1958 CG LEU A 121 129.001 9.640 -5.880 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.840 9.492 -7.383 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.421 9.298 -5.462 1.00 0.00 C ATOM 0 H LEU A 121 127.131 9.985 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 121 129.675 11.046 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.640 11.284 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.321 11.750 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 121 128.321 8.946 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.095 8.474 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 121 127.807 9.702 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.502 10.193 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.658 8.281 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.116 9.994 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.509 9.374 -4.378 1.00 0.00 H new ATOM 1972 N LYS A 122 127.336 13.306 -3.517 1.00 0.00 N ATOM 1973 CA LYS A 122 127.104 14.718 -3.286 1.00 0.00 C ATOM 1974 C LYS A 122 126.914 15.050 -1.797 1.00 0.00 C ATOM 1975 O LYS A 122 126.695 16.212 -1.453 1.00 0.00 O ATOM 1976 CB LYS A 122 125.878 15.208 -4.068 1.00 0.00 C ATOM 1977 CG LYS A 122 125.897 14.923 -5.572 1.00 0.00 C ATOM 1978 CD LYS A 122 127.148 15.455 -6.275 1.00 0.00 C ATOM 1979 CE LYS A 122 127.351 16.956 -6.100 1.00 0.00 C ATOM 1980 NZ LYS A 122 126.214 17.773 -6.588 1.00 0.00 N ATOM 0 H LYS A 122 126.498 12.724 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 122 127.998 15.233 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 122 124.988 14.747 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.782 16.284 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 122 125.830 13.847 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 122 125.014 15.369 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.022 14.931 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 122 127.082 15.227 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 122 127.514 17.171 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.255 17.255 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 126.421 18.781 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 126.070 17.597 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 125.352 17.515 -6.066 1.00 0.00 H new ATOM 1994 N SER A 123 126.988 14.068 -0.919 1.00 0.00 N ATOM 1995 CA SER A 123 126.759 14.333 0.483 1.00 0.00 C ATOM 1996 C SER A 123 128.011 14.887 1.117 1.00 0.00 C ATOM 1997 O SER A 123 129.121 14.659 0.608 1.00 0.00 O ATOM 1998 CB SER A 123 126.350 13.052 1.211 1.00 0.00 C ATOM 1999 OG SER A 123 127.416 12.101 1.219 1.00 0.00 O ATOM 0 H SER A 123 127.201 13.097 -1.148 1.00 0.00 H new ATOM 0 HA SER A 123 125.954 15.063 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.062 13.289 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 123 125.475 12.618 0.726 1.00 0.00 H new ATOM 0 HG SER A 123 127.631 11.843 0.298 1.00 0.00 H new ATOM 2005 N ASP A 124 127.855 15.555 2.258 1.00 0.00 N ATOM 2006 CA ASP A 124 128.993 16.073 3.011 1.00 0.00 C ATOM 2007 C ASP A 124 129.872 14.952 3.460 1.00 0.00 C ATOM 2008 O ASP A 124 131.035 15.150 3.711 1.00 0.00 O ATOM 2009 CB ASP A 124 128.569 16.918 4.209 1.00 0.00 C ATOM 2010 CG ASP A 124 128.406 18.372 3.875 1.00 0.00 C ATOM 2011 OD1 ASP A 124 127.329 18.781 3.396 1.00 0.00 O ATOM 2012 OD2 ASP A 124 129.356 19.141 4.101 1.00 0.00 O ATOM 0 H ASP A 124 126.948 15.750 2.682 1.00 0.00 H new ATOM 0 HA ASP A 124 129.548 16.726 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 124 127.628 16.534 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.311 16.814 5.000 1.00 0.00 H new ATOM 2017 N ILE A 125 129.281 13.775 3.545 1.00 0.00 N ATOM 2018 CA ILE A 125 129.970 12.537 3.827 1.00 0.00 C ATOM 2019 C ILE A 125 131.091 12.300 2.795 1.00 0.00 C ATOM 2020 O ILE A 125 132.291 12.317 3.136 1.00 0.00 O ATOM 2021 CB ILE A 125 128.944 11.350 3.810 1.00 0.00 C ATOM 2022 CG1 ILE A 125 128.089 11.318 5.080 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.572 10.001 3.505 1.00 0.00 C ATOM 2024 CD1 ILE A 125 128.885 11.127 6.351 1.00 0.00 C ATOM 0 H ILE A 125 128.277 13.654 3.415 1.00 0.00 H new ATOM 0 HA ILE A 125 130.426 12.597 4.815 1.00 0.00 H new ATOM 0 HB ILE A 125 128.277 11.550 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 125 127.527 12.249 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 125 127.360 10.512 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 125 128.801 9.231 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.045 10.033 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.322 9.769 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 125 128.209 11.115 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 125 129.426 10.182 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 125 129.595 11.946 6.462 1.00 0.00 H new ATOM 2036 N TYR A 126 130.712 12.135 1.537 1.00 0.00 N ATOM 2037 CA TYR A 126 131.695 11.857 0.507 1.00 0.00 C ATOM 2038 C TYR A 126 132.519 13.086 0.175 1.00 0.00 C ATOM 2039 O TYR A 126 133.713 12.977 -0.084 1.00 0.00 O ATOM 2040 CB TYR A 126 131.060 11.256 -0.738 1.00 0.00 C ATOM 2041 CG TYR A 126 132.047 10.862 -1.807 1.00 0.00 C ATOM 2042 CD1 TYR A 126 132.920 9.808 -1.604 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.118 11.552 -3.005 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.830 9.444 -2.558 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.029 11.199 -3.970 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.881 10.143 -3.747 1.00 0.00 C ATOM 2047 OH TYR A 126 134.808 9.803 -4.702 1.00 0.00 O ATOM 0 H TYR A 126 129.747 12.188 1.210 1.00 0.00 H new ATOM 0 HA TYR A 126 132.376 11.108 0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.484 10.377 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.356 11.975 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 126 132.882 9.262 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.447 12.380 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.502 8.617 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.076 11.748 -4.899 1.00 0.00 H new ATOM 0 HH TYR A 126 135.306 9.012 -4.407 1.00 0.00 H new ATOM 2057 N LEU A 127 131.902 14.259 0.225 1.00 0.00 N ATOM 2058 CA LEU A 127 132.620 15.504 -0.047 1.00 0.00 C ATOM 2059 C LEU A 127 133.720 15.726 1.000 1.00 0.00 C ATOM 2060 O LEU A 127 134.763 16.293 0.704 1.00 0.00 O ATOM 2061 CB LEU A 127 131.666 16.710 -0.106 1.00 0.00 C ATOM 2062 CG LEU A 127 130.522 16.628 -1.135 1.00 0.00 C ATOM 2063 CD1 LEU A 127 129.682 17.889 -1.107 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.041 16.354 -2.545 1.00 0.00 C ATOM 0 H LEU A 127 130.914 14.378 0.449 1.00 0.00 H new ATOM 0 HA LEU A 127 133.086 15.413 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.227 16.848 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.255 17.602 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 127 129.892 15.785 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 127 128.881 17.809 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.252 18.018 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 127 130.308 18.749 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 127 130.201 16.304 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 127 131.714 17.156 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 127 131.578 15.406 -2.557 1.00 0.00 H new ATOM 2076 N ASP A 128 133.491 15.228 2.209 1.00 0.00 N ATOM 2077 CA ASP A 128 134.486 15.296 3.279 1.00 0.00 C ATOM 2078 C ASP A 128 135.630 14.343 2.992 1.00 0.00 C ATOM 2079 O ASP A 128 136.780 14.648 3.282 1.00 0.00 O ATOM 2080 CB ASP A 128 133.862 14.977 4.637 1.00 0.00 C ATOM 2081 CG ASP A 128 134.853 14.974 5.768 1.00 0.00 C ATOM 2082 OD1 ASP A 128 135.217 16.056 6.265 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.265 13.885 6.209 1.00 0.00 O ATOM 0 H ASP A 128 132.620 14.769 2.477 1.00 0.00 H new ATOM 0 HA ASP A 128 134.871 16.315 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.082 15.708 4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 128 133.379 14.001 4.586 1.00 0.00 H new ATOM 2088 N LEU A 129 135.311 13.181 2.400 1.00 0.00 N ATOM 2089 CA LEU A 129 136.353 12.210 2.004 1.00 0.00 C ATOM 2090 C LEU A 129 137.170 12.808 0.869 1.00 0.00 C ATOM 2091 O LEU A 129 138.351 12.494 0.688 1.00 0.00 O ATOM 2092 CB LEU A 129 135.744 10.882 1.515 1.00 0.00 C ATOM 2093 CG LEU A 129 134.673 10.250 2.402 1.00 0.00 C ATOM 2094 CD1 LEU A 129 133.986 9.134 1.664 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.281 9.716 3.685 1.00 0.00 C ATOM 0 H LEU A 129 134.357 12.891 2.186 1.00 0.00 H new ATOM 0 HA LEU A 129 136.971 12.004 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.313 11.049 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 129 136.553 10.162 1.392 1.00 0.00 H new ATOM 0 HG LEU A 129 133.944 11.019 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.224 8.689 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 129 133.517 9.528 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 129 134.718 8.374 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 129 134.499 9.271 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.029 8.960 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 129 135.752 10.533 4.232 1.00 0.00 H new ATOM 2107 N MET A 130 136.513 13.655 0.094 1.00 0.00 N ATOM 2108 CA MET A 130 137.147 14.350 -0.993 1.00 0.00 C ATOM 2109 C MET A 130 138.101 15.386 -0.462 1.00 0.00 C ATOM 2110 O MET A 130 139.320 15.179 -0.515 1.00 0.00 O ATOM 2111 CB MET A 130 136.121 14.999 -1.937 1.00 0.00 C ATOM 2112 CG MET A 130 135.191 14.051 -2.703 1.00 0.00 C ATOM 2113 SD MET A 130 136.029 13.001 -3.923 1.00 0.00 S ATOM 2114 CE MET A 130 136.934 11.847 -2.883 1.00 0.00 C ATOM 0 H MET A 130 135.523 13.874 0.208 1.00 0.00 H new ATOM 0 HA MET A 130 137.704 13.615 -1.574 1.00 0.00 H new ATOM 0 HB2 MET A 130 135.504 15.681 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 130 136.663 15.604 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 130 134.673 13.413 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.430 14.642 -3.212 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.000 12.065 -2.940 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.598 11.947 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.753 10.829 -3.227 1.00 0.00 H new