USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=41 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= 0.871 USER MOD Set 1.2: A 130 MET CE :methyl -107:sc= -4.25! (180deg=-9.98!) USER MOD Set 2.1: A 105 GLN : amide:sc= -0.683 K(o=-0.68,f=-1.5) USER MOD Set 2.2: A 106 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 92 SER OG : rot -34:sc= 0.426 USER MOD Set 3.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 100 SER OG : rot -119:sc= 1.68 USER MOD Set 4.1: A 73 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.2: A 86 LYS NZ :NH3+ 162:sc= 1.28 (180deg=0) USER MOD Set 5.1: A 60 HIS :FLIP no HE2:sc= 0.135 F(o=-0.98,f=0.089) USER MOD Set 5.2: A 95 GLN :FLIP amide:sc= -0.0466 F(o=-0.47,f=0.089) USER MOD Set 6.1: A 53 SER OG : rot 82:sc= 2.31 USER MOD Set 6.2: A 62 LYS NZ :NH3+ -170:sc= 2.4 (180deg=1.12) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00779 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0798) USER MOD Single : A 20 SER OG : rot 65:sc= 1.22 USER MOD Single : A 21 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 29 THR OG1 : rot -28:sc= 1.13 USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 2.02 (180deg=0.963) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00289 USER MOD Single : A 40 ASN : amide:sc=-0.00814 K(o=-0.0081,f=-1.1) USER MOD Single : A 47 CYS SG : rot -24:sc= -2.39! USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 0.0853 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.24) USER MOD Single : A 54 LYS NZ :NH3+ 133:sc= -0.0814 (180deg=-0.417) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0824 F(o=-1.6!,f=-0.082) USER MOD Single : A 58 GLN :FLIP amide:sc= -2.19 F(o=-5.6!,f=-2.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.9!) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.13) USER MOD Single : A 80 ASN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.777 K(o=0.78,f=-3.3!) USER MOD Single : A 85 THR OG1 : rot -108:sc= 0.971 USER MOD Single : A 90 THR OG1 : rot -6:sc= 1.26 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.29 F(o=-1.8!,f=-1.3) USER MOD Single : A 109 TYR OH : rot -117:sc= 1.27 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 112 MET CE :methyl -126:sc= -0.832 (180deg=-1.96) USER MOD Single : A 114 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 116 SER OG : rot 25:sc= 0.535 USER MOD Single : A 117 TYR OH : rot 9:sc= 0.405 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0209) USER MOD Single : A 123 SER OG : rot -78:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.269 4.895 3.810 1.00 0.00 N ATOM 32 CA VAL A 3 141.269 4.988 2.375 1.00 0.00 C ATOM 33 C VAL A 3 141.913 6.295 1.907 1.00 0.00 C ATOM 34 O VAL A 3 141.615 7.384 2.437 1.00 0.00 O ATOM 35 CB VAL A 3 139.820 4.832 1.776 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.834 5.755 2.482 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.806 5.137 0.283 1.00 0.00 C ATOM 0 HA VAL A 3 141.868 4.158 2.000 1.00 0.00 H new ATOM 0 HB VAL A 3 139.518 3.796 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.842 5.627 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.801 5.509 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.153 6.790 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.793 5.021 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.142 6.161 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.473 4.448 -0.235 1.00 0.00 H new ATOM 47 N SER A 4 142.832 6.158 0.976 1.00 0.00 N ATOM 48 CA SER A 4 143.464 7.261 0.305 1.00 0.00 C ATOM 49 C SER A 4 142.380 8.134 -0.326 1.00 0.00 C ATOM 50 O SER A 4 141.416 7.609 -0.872 1.00 0.00 O ATOM 51 CB SER A 4 144.396 6.692 -0.789 1.00 0.00 C ATOM 52 OG SER A 4 144.903 7.699 -1.655 1.00 0.00 O ATOM 0 H SER A 4 143.166 5.248 0.660 1.00 0.00 H new ATOM 0 HA SER A 4 144.047 7.863 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 4 145.229 6.172 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 4 143.851 5.953 -1.377 1.00 0.00 H new ATOM 0 HG SER A 4 145.487 7.289 -2.327 1.00 0.00 H new ATOM 58 N PRO A 5 142.506 9.460 -0.265 1.00 0.00 N ATOM 59 CA PRO A 5 141.519 10.369 -0.857 1.00 0.00 C ATOM 60 C PRO A 5 141.364 10.108 -2.352 1.00 0.00 C ATOM 61 O PRO A 5 140.271 10.181 -2.897 1.00 0.00 O ATOM 62 CB PRO A 5 142.105 11.755 -0.614 1.00 0.00 C ATOM 63 CG PRO A 5 143.069 11.578 0.507 1.00 0.00 C ATOM 64 CD PRO A 5 143.604 10.188 0.389 1.00 0.00 C ATOM 0 HA PRO A 5 140.526 10.246 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.603 12.134 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.326 12.472 -0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.874 12.310 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 5 142.577 11.724 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.518 10.157 -0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.843 9.764 1.364 1.00 0.00 H new ATOM 72 N GLU A 6 142.462 9.732 -2.989 1.00 0.00 N ATOM 73 CA GLU A 6 142.455 9.409 -4.395 1.00 0.00 C ATOM 74 C GLU A 6 141.748 8.074 -4.615 1.00 0.00 C ATOM 75 O GLU A 6 140.992 7.907 -5.559 1.00 0.00 O ATOM 76 CB GLU A 6 143.871 9.352 -4.935 1.00 0.00 C ATOM 77 CG GLU A 6 143.945 8.992 -6.401 1.00 0.00 C ATOM 78 CD GLU A 6 145.344 8.902 -6.888 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.981 7.842 -6.721 1.00 0.00 O ATOM 80 OE2 GLU A 6 145.832 9.876 -7.457 1.00 0.00 O ATOM 0 H GLU A 6 143.375 9.644 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 6 141.916 10.189 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.348 10.320 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.441 8.622 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 6 143.443 8.038 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 6 143.407 9.739 -6.984 1.00 0.00 H new ATOM 87 N GLU A 7 141.970 7.143 -3.712 1.00 0.00 N ATOM 88 CA GLU A 7 141.333 5.838 -3.792 1.00 0.00 C ATOM 89 C GLU A 7 139.825 6.024 -3.584 1.00 0.00 C ATOM 90 O GLU A 7 139.000 5.321 -4.170 1.00 0.00 O ATOM 91 CB GLU A 7 141.903 4.906 -2.716 1.00 0.00 C ATOM 92 CG GLU A 7 141.474 3.459 -2.845 1.00 0.00 C ATOM 93 CD GLU A 7 142.082 2.785 -4.051 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.651 3.051 -5.183 1.00 0.00 O ATOM 95 OE2 GLU A 7 142.987 1.965 -3.880 1.00 0.00 O ATOM 0 H GLU A 7 142.588 7.263 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 7 141.523 5.389 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.991 4.953 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.600 5.275 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.762 2.916 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.387 3.410 -2.914 1.00 0.00 H new ATOM 102 N ALA A 8 139.494 7.002 -2.761 1.00 0.00 N ATOM 103 CA ALA A 8 138.134 7.359 -2.474 1.00 0.00 C ATOM 104 C ALA A 8 137.479 8.049 -3.679 1.00 0.00 C ATOM 105 O ALA A 8 136.331 7.771 -3.982 1.00 0.00 O ATOM 106 CB ALA A 8 138.060 8.210 -1.197 1.00 0.00 C ATOM 0 H ALA A 8 140.181 7.574 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 8 137.564 6.449 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.022 8.472 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.462 7.642 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.644 9.120 -1.332 1.00 0.00 H new ATOM 112 N VAL A 9 138.218 8.936 -4.396 1.00 0.00 N ATOM 113 CA VAL A 9 137.649 9.598 -5.600 1.00 0.00 C ATOM 114 C VAL A 9 137.286 8.569 -6.658 1.00 0.00 C ATOM 115 O VAL A 9 136.343 8.759 -7.424 1.00 0.00 O ATOM 116 CB VAL A 9 138.543 10.729 -6.251 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.966 11.781 -5.257 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.743 10.196 -7.019 1.00 0.00 C ATOM 0 H VAL A 9 139.177 9.203 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 9 136.761 10.108 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 9 137.891 11.205 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.577 12.531 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.082 12.257 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.545 11.316 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.308 11.030 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.382 9.626 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.400 9.550 -7.827 1.00 0.00 H new ATOM 128 N LYS A 10 138.015 7.456 -6.660 1.00 0.00 N ATOM 129 CA LYS A 10 137.777 6.351 -7.596 1.00 0.00 C ATOM 130 C LYS A 10 136.362 5.774 -7.408 1.00 0.00 C ATOM 131 O LYS A 10 135.799 5.199 -8.310 1.00 0.00 O ATOM 132 CB LYS A 10 138.795 5.218 -7.382 1.00 0.00 C ATOM 133 CG LYS A 10 140.263 5.620 -7.426 1.00 0.00 C ATOM 134 CD LYS A 10 140.662 6.227 -8.749 1.00 0.00 C ATOM 135 CE LYS A 10 142.131 6.621 -8.751 1.00 0.00 C ATOM 136 NZ LYS A 10 142.559 7.160 -10.058 1.00 0.00 N ATOM 0 H LYS A 10 138.788 7.291 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 10 137.884 6.753 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.595 4.755 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.625 4.456 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.464 6.335 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 10 140.881 4.744 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.473 5.514 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 10 140.047 7.104 -8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.307 7.367 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.739 5.752 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.566 7.416 -10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.416 6.440 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.997 8.005 -10.286 1.00 0.00 H new ATOM 150 N TRP A 11 135.800 5.963 -6.229 1.00 0.00 N ATOM 151 CA TRP A 11 134.481 5.425 -5.892 1.00 0.00 C ATOM 152 C TRP A 11 133.362 6.203 -6.564 1.00 0.00 C ATOM 153 O TRP A 11 132.259 5.708 -6.708 1.00 0.00 O ATOM 154 CB TRP A 11 134.269 5.452 -4.382 1.00 0.00 C ATOM 155 CG TRP A 11 135.253 4.630 -3.611 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.076 3.663 -4.101 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.497 4.686 -2.204 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.842 3.145 -3.098 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.496 3.746 -1.919 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.969 5.453 -1.154 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.978 3.548 -0.641 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.445 5.247 0.120 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.438 4.305 0.364 1.00 0.00 C ATOM 0 H TRP A 11 136.238 6.492 -5.474 1.00 0.00 H new ATOM 0 HA TRP A 11 134.452 4.398 -6.256 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.325 6.484 -4.037 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.263 5.096 -4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.117 3.351 -5.134 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.557 2.426 -3.209 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.203 6.191 -1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.753 2.823 -0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 135.043 5.823 0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.793 4.167 1.374 1.00 0.00 H new ATOM 174 N GLY A 12 133.680 7.390 -7.031 1.00 0.00 N ATOM 175 CA GLY A 12 132.687 8.271 -7.618 1.00 0.00 C ATOM 176 C GLY A 12 132.407 7.974 -9.081 1.00 0.00 C ATOM 177 O GLY A 12 131.941 8.845 -9.828 1.00 0.00 O ATOM 0 H GLY A 12 134.626 7.772 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 12 131.758 8.187 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.026 9.303 -7.523 1.00 0.00 H new ATOM 181 N GLU A 13 132.700 6.772 -9.500 1.00 0.00 N ATOM 182 CA GLU A 13 132.428 6.355 -10.864 1.00 0.00 C ATOM 183 C GLU A 13 131.791 4.966 -10.910 1.00 0.00 C ATOM 184 O GLU A 13 131.550 4.430 -12.001 1.00 0.00 O ATOM 185 CB GLU A 13 133.704 6.403 -11.717 1.00 0.00 C ATOM 186 CG GLU A 13 134.850 5.590 -11.153 1.00 0.00 C ATOM 187 CD GLU A 13 136.099 5.672 -11.980 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.693 6.764 -12.087 1.00 0.00 O ATOM 189 OE2 GLU A 13 136.523 4.640 -12.545 1.00 0.00 O ATOM 0 H GLU A 13 133.130 6.054 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 13 131.711 7.059 -11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 13 133.473 6.041 -12.719 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.023 7.440 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.068 5.935 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 13 134.542 4.547 -11.074 1.00 0.00 H new ATOM 196 N SER A 14 131.483 4.404 -9.742 1.00 0.00 N ATOM 197 CA SER A 14 130.916 3.070 -9.660 1.00 0.00 C ATOM 198 C SER A 14 130.514 2.746 -8.224 1.00 0.00 C ATOM 199 O SER A 14 131.377 2.569 -7.346 1.00 0.00 O ATOM 200 CB SER A 14 131.920 2.011 -10.179 1.00 0.00 C ATOM 201 OG SER A 14 131.367 0.690 -10.169 1.00 0.00 O ATOM 0 H SER A 14 131.619 4.859 -8.839 1.00 0.00 H new ATOM 0 HA SER A 14 130.027 3.044 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 14 132.224 2.268 -11.194 1.00 0.00 H new ATOM 0 HB3 SER A 14 132.818 2.032 -9.562 1.00 0.00 H new ATOM 0 HG SER A 14 132.033 0.054 -10.505 1.00 0.00 H new ATOM 207 N PHE A 15 129.215 2.658 -7.989 1.00 0.00 N ATOM 208 CA PHE A 15 128.677 2.292 -6.683 1.00 0.00 C ATOM 209 C PHE A 15 129.115 0.868 -6.323 1.00 0.00 C ATOM 210 O PHE A 15 129.348 0.540 -5.156 1.00 0.00 O ATOM 211 CB PHE A 15 127.142 2.415 -6.699 1.00 0.00 C ATOM 212 CG PHE A 15 126.458 2.111 -5.391 1.00 0.00 C ATOM 213 CD1 PHE A 15 126.874 2.708 -4.221 1.00 0.00 C ATOM 214 CD2 PHE A 15 125.387 1.247 -5.343 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.239 2.447 -3.032 1.00 0.00 C ATOM 216 CE2 PHE A 15 124.749 0.980 -4.153 1.00 0.00 C ATOM 217 CZ PHE A 15 125.176 1.581 -2.998 1.00 0.00 C ATOM 0 H PHE A 15 128.502 2.838 -8.696 1.00 0.00 H new ATOM 0 HA PHE A 15 129.065 2.970 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 15 126.878 3.429 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 15 126.748 1.743 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 15 127.711 3.390 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.043 0.773 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.577 2.924 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 15 123.912 0.297 -4.130 1.00 0.00 H new ATOM 0 HZ PHE A 15 124.677 1.373 -2.063 1.00 0.00 H new ATOM 227 N ASP A 16 129.264 0.043 -7.342 1.00 0.00 N ATOM 228 CA ASP A 16 129.721 -1.325 -7.164 1.00 0.00 C ATOM 229 C ASP A 16 131.174 -1.351 -6.731 1.00 0.00 C ATOM 230 O ASP A 16 131.571 -2.187 -5.939 1.00 0.00 O ATOM 231 CB ASP A 16 129.531 -2.140 -8.446 1.00 0.00 C ATOM 232 CG ASP A 16 130.012 -3.567 -8.312 1.00 0.00 C ATOM 233 OD1 ASP A 16 129.293 -4.410 -7.713 1.00 0.00 O ATOM 234 OD2 ASP A 16 131.097 -3.881 -8.823 1.00 0.00 O ATOM 0 H ASP A 16 129.074 0.298 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 16 129.117 -1.781 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 16 128.475 -2.142 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.068 -1.656 -9.261 1.00 0.00 H new ATOM 239 N LYS A 17 131.950 -0.394 -7.218 1.00 0.00 N ATOM 240 CA LYS A 17 133.371 -0.293 -6.875 1.00 0.00 C ATOM 241 C LYS A 17 133.503 0.051 -5.413 1.00 0.00 C ATOM 242 O LYS A 17 134.290 -0.551 -4.670 1.00 0.00 O ATOM 243 CB LYS A 17 134.024 0.800 -7.700 1.00 0.00 C ATOM 244 CG LYS A 17 135.479 0.998 -7.408 1.00 0.00 C ATOM 245 CD LYS A 17 136.041 2.137 -8.220 1.00 0.00 C ATOM 246 CE LYS A 17 137.553 2.086 -8.305 1.00 0.00 C ATOM 247 NZ LYS A 17 138.006 1.034 -9.233 1.00 0.00 N ATOM 0 H LYS A 17 131.622 0.331 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 17 133.860 -1.245 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 17 133.905 0.563 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 17 133.498 1.738 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 17 135.616 1.201 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 17 136.027 0.082 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 17 135.621 2.107 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 17 135.735 3.084 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 17 137.933 3.053 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.968 1.902 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.021 1.154 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.843 0.100 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 137.474 1.104 -10.124 1.00 0.00 H new ATOM 261 N LEU A 18 132.709 1.013 -5.033 1.00 0.00 N ATOM 262 CA LEU A 18 132.595 1.497 -3.687 1.00 0.00 C ATOM 263 C LEU A 18 132.313 0.336 -2.737 1.00 0.00 C ATOM 264 O LEU A 18 133.040 0.116 -1.781 1.00 0.00 O ATOM 265 CB LEU A 18 131.442 2.484 -3.685 1.00 0.00 C ATOM 266 CG LEU A 18 130.978 3.051 -2.366 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.053 3.874 -1.720 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.776 3.884 -2.621 1.00 0.00 C ATOM 0 H LEU A 18 132.096 1.503 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 18 133.516 1.974 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 18 131.722 3.321 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.588 1.996 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 18 130.740 2.236 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.689 4.269 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.930 3.252 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.323 4.701 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.420 4.306 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.032 4.691 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 18 128.993 3.267 -3.061 1.00 0.00 H new ATOM 280 N LEU A 19 131.294 -0.418 -3.064 1.00 0.00 N ATOM 281 CA LEU A 19 130.851 -1.566 -2.286 1.00 0.00 C ATOM 282 C LEU A 19 131.844 -2.724 -2.289 1.00 0.00 C ATOM 283 O LEU A 19 131.923 -3.478 -1.319 1.00 0.00 O ATOM 284 CB LEU A 19 129.488 -2.015 -2.791 1.00 0.00 C ATOM 285 CG LEU A 19 128.247 -1.451 -2.075 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.480 -0.063 -1.485 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.110 -1.390 -3.068 1.00 0.00 C ATOM 0 H LEU A 19 130.730 -0.253 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 19 130.780 -1.248 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.416 -1.752 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.447 -3.103 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 19 128.013 -2.113 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.570 0.281 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 19 129.290 -0.108 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 128.747 0.631 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.221 -0.992 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.387 -0.742 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 126.901 -2.392 -3.443 1.00 0.00 H new ATOM 299 N SER A 20 132.601 -2.869 -3.356 1.00 0.00 N ATOM 300 CA SER A 20 133.595 -3.925 -3.431 1.00 0.00 C ATOM 301 C SER A 20 134.821 -3.565 -2.590 1.00 0.00 C ATOM 302 O SER A 20 135.575 -4.442 -2.135 1.00 0.00 O ATOM 303 CB SER A 20 133.983 -4.190 -4.883 1.00 0.00 C ATOM 304 OG SER A 20 132.828 -4.493 -5.658 1.00 0.00 O ATOM 0 H SER A 20 132.550 -2.273 -4.182 1.00 0.00 H new ATOM 0 HA SER A 20 133.164 -4.840 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.487 -3.317 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.689 -5.019 -4.932 1.00 0.00 H new ATOM 0 HG SER A 20 132.243 -3.707 -5.695 1.00 0.00 H new ATOM 310 N HIS A 21 135.000 -2.289 -2.345 1.00 0.00 N ATOM 311 CA HIS A 21 136.095 -1.835 -1.548 1.00 0.00 C ATOM 312 C HIS A 21 135.591 -1.857 -0.131 1.00 0.00 C ATOM 313 O HIS A 21 134.582 -1.234 0.153 1.00 0.00 O ATOM 314 CB HIS A 21 136.488 -0.392 -1.926 1.00 0.00 C ATOM 315 CG HIS A 21 137.947 -0.094 -1.782 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.516 0.479 -0.663 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.957 -0.267 -2.659 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.806 0.638 -0.870 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.092 0.194 -2.067 1.00 0.00 N ATOM 0 H HIS A 21 134.392 -1.548 -2.693 1.00 0.00 H new ATOM 0 HA HIS A 21 136.975 -2.462 -1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.191 -0.205 -2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.924 0.301 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.879 -0.693 -3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.510 1.063 -0.170 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.020 0.194 -2.490 1.00 0.00 H new ATOM 328 N ARG A 22 136.274 -2.549 0.752 1.00 0.00 N ATOM 329 CA ARG A 22 135.824 -2.682 2.142 1.00 0.00 C ATOM 330 C ARG A 22 135.653 -1.307 2.765 1.00 0.00 C ATOM 331 O ARG A 22 134.638 -1.018 3.358 1.00 0.00 O ATOM 332 CB ARG A 22 136.810 -3.512 2.961 1.00 0.00 C ATOM 333 CG ARG A 22 136.389 -3.701 4.410 1.00 0.00 C ATOM 334 CD ARG A 22 137.441 -4.436 5.212 1.00 0.00 C ATOM 335 NE ARG A 22 138.718 -3.701 5.270 1.00 0.00 N ATOM 336 CZ ARG A 22 139.416 -3.472 6.397 1.00 0.00 C ATOM 337 NH1 ARG A 22 138.869 -3.718 7.586 1.00 0.00 N ATOM 338 NH2 ARG A 22 140.644 -2.951 6.334 1.00 0.00 N ATOM 0 H ARG A 22 137.147 -3.034 0.544 1.00 0.00 H new ATOM 0 HA ARG A 22 134.864 -3.199 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.925 -4.490 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 22 137.787 -3.030 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.201 -2.728 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 22 135.451 -4.256 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.073 -4.600 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.610 -5.418 4.771 1.00 0.00 H new ATOM 0 HE ARG A 22 139.099 -3.341 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 22 137.918 -4.081 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 22 139.401 -3.543 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 22 141.056 -2.725 5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 22 141.170 -2.779 7.191 1.00 0.00 H new ATOM 352 N ASP A 23 136.640 -0.454 2.548 1.00 0.00 N ATOM 353 CA ASP A 23 136.637 0.936 3.051 1.00 0.00 C ATOM 354 C ASP A 23 135.458 1.737 2.497 1.00 0.00 C ATOM 355 O ASP A 23 134.972 2.667 3.135 1.00 0.00 O ATOM 356 CB ASP A 23 137.919 1.671 2.640 1.00 0.00 C ATOM 357 CG ASP A 23 139.182 1.005 3.096 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.613 1.234 4.233 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.767 0.248 2.299 1.00 0.00 O ATOM 0 H ASP A 23 137.477 -0.694 2.016 1.00 0.00 H new ATOM 0 HA ASP A 23 136.562 0.866 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.941 1.761 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.889 2.683 3.043 1.00 0.00 H new ATOM 364 N GLY A 24 135.002 1.369 1.310 1.00 0.00 N ATOM 365 CA GLY A 24 133.953 2.118 0.659 1.00 0.00 C ATOM 366 C GLY A 24 132.625 1.644 1.067 1.00 0.00 C ATOM 367 O GLY A 24 131.729 2.441 1.325 1.00 0.00 O ATOM 0 H GLY A 24 135.342 0.563 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 24 134.054 3.176 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.057 2.028 -0.422 1.00 0.00 H new ATOM 371 N LEU A 25 132.491 0.348 1.121 1.00 0.00 N ATOM 372 CA LEU A 25 131.326 -0.280 1.651 1.00 0.00 C ATOM 373 C LEU A 25 131.102 0.224 3.061 1.00 0.00 C ATOM 374 O LEU A 25 130.008 0.610 3.419 1.00 0.00 O ATOM 375 CB LEU A 25 131.485 -1.823 1.553 1.00 0.00 C ATOM 376 CG LEU A 25 130.880 -2.704 2.660 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.543 -4.072 2.088 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.910 -2.891 3.781 1.00 0.00 C ATOM 0 H LEU A 25 133.201 -0.306 0.792 1.00 0.00 H new ATOM 0 HA LEU A 25 130.435 -0.027 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.050 -2.140 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.552 -2.042 1.503 1.00 0.00 H new ATOM 0 HG LEU A 25 129.981 -2.225 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.114 -4.698 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.823 -3.960 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.450 -4.540 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.484 -3.515 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.802 -3.372 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.178 -1.919 4.195 1.00 0.00 H new ATOM 390 N GLU A 26 132.186 0.312 3.804 1.00 0.00 N ATOM 391 CA GLU A 26 132.177 0.787 5.155 1.00 0.00 C ATOM 392 C GLU A 26 131.776 2.279 5.157 1.00 0.00 C ATOM 393 O GLU A 26 130.927 2.680 5.953 1.00 0.00 O ATOM 394 CB GLU A 26 133.567 0.511 5.757 1.00 0.00 C ATOM 395 CG GLU A 26 133.702 0.516 7.286 1.00 0.00 C ATOM 396 CD GLU A 26 133.528 1.859 7.936 1.00 0.00 C ATOM 397 OE1 GLU A 26 134.440 2.706 7.833 1.00 0.00 O ATOM 398 OE2 GLU A 26 132.512 2.070 8.606 1.00 0.00 O ATOM 0 H GLU A 26 133.113 0.048 3.470 1.00 0.00 H new ATOM 0 HA GLU A 26 131.444 0.274 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.901 -0.461 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 26 134.258 1.254 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 26 132.965 -0.170 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 26 134.685 0.126 7.550 1.00 0.00 H new ATOM 405 N ALA A 27 132.291 3.070 4.188 1.00 0.00 N ATOM 406 CA ALA A 27 131.928 4.495 4.107 1.00 0.00 C ATOM 407 C ALA A 27 130.429 4.637 3.848 1.00 0.00 C ATOM 408 O ALA A 27 129.745 5.455 4.479 1.00 0.00 O ATOM 409 CB ALA A 27 132.715 5.234 3.006 1.00 0.00 C ATOM 0 H ALA A 27 132.942 2.752 3.470 1.00 0.00 H new ATOM 0 HA ALA A 27 132.187 4.951 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.414 6.281 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.783 5.168 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.506 4.776 2.039 1.00 0.00 H new ATOM 415 N PHE A 28 129.916 3.807 2.954 1.00 0.00 N ATOM 416 CA PHE A 28 128.525 3.867 2.577 1.00 0.00 C ATOM 417 C PHE A 28 127.622 3.333 3.689 1.00 0.00 C ATOM 418 O PHE A 28 126.550 3.885 3.916 1.00 0.00 O ATOM 419 CB PHE A 28 128.264 3.142 1.248 1.00 0.00 C ATOM 420 CG PHE A 28 126.883 3.391 0.694 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.626 4.522 -0.055 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.848 2.506 0.929 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.367 4.766 -0.557 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.588 2.743 0.428 1.00 0.00 C ATOM 425 CZ PHE A 28 124.348 3.874 -0.314 1.00 0.00 C ATOM 0 H PHE A 28 130.451 3.082 2.477 1.00 0.00 H new ATOM 0 HA PHE A 28 128.277 4.918 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.005 3.462 0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.402 2.071 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.423 5.225 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.030 1.616 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.180 5.656 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.789 2.041 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.360 4.063 -0.706 1.00 0.00 H new ATOM 435 N THR A 29 128.053 2.266 4.392 1.00 0.00 N ATOM 436 CA THR A 29 127.255 1.736 5.511 1.00 0.00 C ATOM 437 C THR A 29 127.053 2.785 6.517 1.00 0.00 C ATOM 438 O THR A 29 125.968 2.975 6.993 1.00 0.00 O ATOM 439 CB THR A 29 127.872 0.508 6.219 1.00 0.00 C ATOM 440 OG1 THR A 29 129.180 0.791 6.753 1.00 0.00 O ATOM 441 CG2 THR A 29 128.001 -0.575 5.270 1.00 0.00 C ATOM 0 H THR A 29 128.924 1.768 4.211 1.00 0.00 H new ATOM 0 HA THR A 29 126.317 1.409 5.063 1.00 0.00 H new ATOM 0 HB THR A 29 127.210 0.240 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 29 129.608 1.491 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.436 -1.443 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 29 127.017 -0.835 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.647 -0.264 4.449 1.00 0.00 H new ATOM 449 N ARG A 30 128.113 3.494 6.794 1.00 0.00 N ATOM 450 CA ARG A 30 128.078 4.580 7.758 1.00 0.00 C ATOM 451 C ARG A 30 127.017 5.604 7.385 1.00 0.00 C ATOM 452 O ARG A 30 126.162 5.969 8.199 1.00 0.00 O ATOM 453 CB ARG A 30 129.414 5.281 7.876 1.00 0.00 C ATOM 454 CG ARG A 30 130.505 4.463 8.490 1.00 0.00 C ATOM 455 CD ARG A 30 131.769 5.278 8.612 1.00 0.00 C ATOM 456 NE ARG A 30 131.540 6.514 9.372 1.00 0.00 N ATOM 457 CZ ARG A 30 132.442 7.480 9.567 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.688 7.338 9.133 1.00 0.00 N ATOM 459 NH2 ARG A 30 132.091 8.579 10.205 1.00 0.00 N ATOM 0 H ARG A 30 129.026 3.343 6.364 1.00 0.00 H new ATOM 0 HA ARG A 30 127.836 4.130 8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.732 5.595 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 30 129.281 6.186 8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 30 130.195 4.112 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.692 3.579 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 30 132.540 4.685 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 30 132.142 5.524 7.618 1.00 0.00 H new ATOM 0 HE ARG A 30 130.617 6.646 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 30 133.964 6.486 8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.369 8.081 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 30 131.136 8.688 10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 30 132.775 9.321 10.357 1.00 0.00 H new ATOM 473 N PHE A 31 127.080 6.030 6.144 1.00 0.00 N ATOM 474 CA PHE A 31 126.140 6.965 5.562 1.00 0.00 C ATOM 475 C PHE A 31 124.699 6.450 5.685 1.00 0.00 C ATOM 476 O PHE A 31 123.785 7.181 6.094 1.00 0.00 O ATOM 477 CB PHE A 31 126.522 7.175 4.083 1.00 0.00 C ATOM 478 CG PHE A 31 125.463 7.818 3.244 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.289 9.180 3.245 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.626 7.034 2.459 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.303 9.754 2.484 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.641 7.603 1.702 1.00 0.00 C ATOM 483 CZ PHE A 31 123.479 8.963 1.714 1.00 0.00 C ATOM 0 H PHE A 31 127.805 5.729 5.493 1.00 0.00 H new ATOM 0 HA PHE A 31 126.187 7.913 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.422 7.788 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.773 6.208 3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.932 9.803 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.756 5.962 2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.173 10.826 2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.994 6.984 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.702 9.417 1.117 1.00 0.00 H new ATOM 493 N LEU A 32 124.528 5.204 5.362 1.00 0.00 N ATOM 494 CA LEU A 32 123.239 4.576 5.317 1.00 0.00 C ATOM 495 C LEU A 32 122.702 4.307 6.745 1.00 0.00 C ATOM 496 O LEU A 32 121.496 4.412 7.003 1.00 0.00 O ATOM 497 CB LEU A 32 123.386 3.285 4.510 1.00 0.00 C ATOM 498 CG LEU A 32 122.143 2.751 3.833 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.586 3.781 2.858 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.471 1.460 3.107 1.00 0.00 C ATOM 0 H LEU A 32 125.297 4.580 5.117 1.00 0.00 H new ATOM 0 HA LEU A 32 122.509 5.229 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.144 3.449 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.768 2.511 5.176 1.00 0.00 H new ATOM 0 HG LEU A 32 121.385 2.550 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.692 3.382 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.332 4.693 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.335 4.006 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.574 1.078 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.238 1.650 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.837 0.723 3.822 1.00 0.00 H new ATOM 512 N LYS A 33 123.606 3.986 7.661 1.00 0.00 N ATOM 513 CA LYS A 33 123.268 3.734 9.064 1.00 0.00 C ATOM 514 C LYS A 33 122.848 5.003 9.766 1.00 0.00 C ATOM 515 O LYS A 33 121.840 5.018 10.482 1.00 0.00 O ATOM 516 CB LYS A 33 124.449 3.099 9.839 1.00 0.00 C ATOM 517 CG LYS A 33 124.767 1.660 9.465 1.00 0.00 C ATOM 518 CD LYS A 33 125.989 1.135 10.203 1.00 0.00 C ATOM 519 CE LYS A 33 126.236 -0.339 9.883 1.00 0.00 C ATOM 520 NZ LYS A 33 125.186 -1.225 10.440 1.00 0.00 N ATOM 0 H LYS A 33 124.601 3.892 7.455 1.00 0.00 H new ATOM 0 HA LYS A 33 122.434 3.032 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 33 125.339 3.706 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 33 124.228 3.140 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.908 1.028 9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.937 1.594 8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.865 1.722 9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.850 1.258 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.281 -0.470 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 33 127.206 -0.636 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.068 -2.054 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 125.465 -1.539 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 124.287 -0.705 10.497 1.00 0.00 H new ATOM 534 N THR A 34 123.584 6.074 9.528 1.00 0.00 N ATOM 535 CA THR A 34 123.356 7.313 10.224 1.00 0.00 C ATOM 536 C THR A 34 121.975 7.934 9.884 1.00 0.00 C ATOM 537 O THR A 34 121.350 8.574 10.740 1.00 0.00 O ATOM 538 CB THR A 34 124.545 8.322 10.044 1.00 0.00 C ATOM 539 OG1 THR A 34 124.432 9.411 10.968 1.00 0.00 O ATOM 540 CG2 THR A 34 124.617 8.878 8.636 1.00 0.00 C ATOM 0 H THR A 34 124.348 6.103 8.852 1.00 0.00 H new ATOM 0 HA THR A 34 123.322 7.076 11.287 1.00 0.00 H new ATOM 0 HB THR A 34 125.459 7.761 10.240 1.00 0.00 H new ATOM 0 HG1 THR A 34 125.183 10.027 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 34 125.455 9.571 8.561 1.00 0.00 H new ATOM 0 HG22 THR A 34 124.757 8.061 7.929 1.00 0.00 H new ATOM 0 HG23 THR A 34 123.690 9.403 8.404 1.00 0.00 H new ATOM 548 N GLU A 35 121.467 7.695 8.673 1.00 0.00 N ATOM 549 CA GLU A 35 120.139 8.192 8.324 1.00 0.00 C ATOM 550 C GLU A 35 119.097 7.076 8.381 1.00 0.00 C ATOM 551 O GLU A 35 118.006 7.202 7.841 1.00 0.00 O ATOM 552 CB GLU A 35 120.109 8.928 6.975 1.00 0.00 C ATOM 553 CG GLU A 35 120.556 8.133 5.761 1.00 0.00 C ATOM 554 CD GLU A 35 120.346 8.926 4.491 1.00 0.00 C ATOM 555 OE1 GLU A 35 121.119 9.884 4.228 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.372 8.660 3.776 1.00 0.00 O ATOM 0 H GLU A 35 121.942 7.174 7.936 1.00 0.00 H new ATOM 0 HA GLU A 35 119.878 8.934 9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 35 119.091 9.277 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 35 120.740 9.813 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.609 7.870 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.998 7.198 5.708 1.00 0.00 H new ATOM 563 N PHE A 36 119.446 6.014 9.099 1.00 0.00 N ATOM 564 CA PHE A 36 118.594 4.841 9.335 1.00 0.00 C ATOM 565 C PHE A 36 117.937 4.228 8.090 1.00 0.00 C ATOM 566 O PHE A 36 116.719 4.204 7.947 1.00 0.00 O ATOM 567 CB PHE A 36 117.616 4.991 10.552 1.00 0.00 C ATOM 568 CG PHE A 36 116.719 6.216 10.568 1.00 0.00 C ATOM 569 CD1 PHE A 36 115.481 6.207 9.937 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.116 7.369 11.230 1.00 0.00 C ATOM 571 CE1 PHE A 36 114.665 7.321 9.964 1.00 0.00 C ATOM 572 CE2 PHE A 36 116.304 8.484 11.257 1.00 0.00 C ATOM 573 CZ PHE A 36 115.078 8.460 10.623 1.00 0.00 C ATOM 0 H PHE A 36 120.358 5.938 9.550 1.00 0.00 H new ATOM 0 HA PHE A 36 119.317 4.082 9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.981 4.106 10.588 1.00 0.00 H new ATOM 0 HB3 PHE A 36 118.210 4.994 11.466 1.00 0.00 H new ATOM 0 HD1 PHE A 36 115.153 5.318 9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 36 118.073 7.394 11.730 1.00 0.00 H new ATOM 0 HE1 PHE A 36 113.705 7.300 9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 36 116.627 9.375 11.774 1.00 0.00 H new ATOM 0 HZ PHE A 36 114.442 9.333 10.643 1.00 0.00 H new ATOM 583 N SER A 37 118.750 3.796 7.169 1.00 0.00 N ATOM 584 CA SER A 37 118.275 3.102 5.981 1.00 0.00 C ATOM 585 C SER A 37 119.285 2.008 5.611 1.00 0.00 C ATOM 586 O SER A 37 119.307 1.486 4.488 1.00 0.00 O ATOM 587 CB SER A 37 118.088 4.118 4.840 1.00 0.00 C ATOM 588 OG SER A 37 117.181 5.153 5.247 1.00 0.00 O ATOM 0 H SER A 37 119.763 3.909 7.210 1.00 0.00 H new ATOM 0 HA SER A 37 117.311 2.629 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.050 4.553 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.703 3.614 3.953 1.00 0.00 H new ATOM 0 HG SER A 37 117.069 5.796 4.516 1.00 0.00 H new ATOM 594 N GLU A 38 120.048 1.599 6.629 1.00 0.00 N ATOM 595 CA GLU A 38 121.166 0.663 6.504 1.00 0.00 C ATOM 596 C GLU A 38 120.708 -0.723 6.082 1.00 0.00 C ATOM 597 O GLU A 38 121.494 -1.511 5.535 1.00 0.00 O ATOM 598 CB GLU A 38 121.918 0.577 7.834 1.00 0.00 C ATOM 599 CG GLU A 38 121.070 0.093 9.006 1.00 0.00 C ATOM 600 CD GLU A 38 121.814 0.072 10.311 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.534 -0.897 10.589 1.00 0.00 O ATOM 602 OE2 GLU A 38 121.692 1.024 11.093 1.00 0.00 O ATOM 0 H GLU A 38 119.900 1.919 7.586 1.00 0.00 H new ATOM 0 HA GLU A 38 121.827 1.042 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.768 -0.095 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.321 1.561 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.197 0.738 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 120.702 -0.910 8.789 1.00 0.00 H new ATOM 609 N GLU A 39 119.444 -0.999 6.312 1.00 0.00 N ATOM 610 CA GLU A 39 118.838 -2.284 6.032 1.00 0.00 C ATOM 611 C GLU A 39 118.878 -2.653 4.547 1.00 0.00 C ATOM 612 O GLU A 39 118.648 -3.787 4.195 1.00 0.00 O ATOM 613 CB GLU A 39 117.400 -2.344 6.547 1.00 0.00 C ATOM 614 CG GLU A 39 117.230 -1.936 8.003 1.00 0.00 C ATOM 615 CD GLU A 39 116.987 -0.453 8.193 1.00 0.00 C ATOM 616 OE1 GLU A 39 117.940 0.337 8.174 1.00 0.00 O ATOM 617 OE2 GLU A 39 115.819 -0.063 8.387 1.00 0.00 O ATOM 0 H GLU A 39 118.793 -0.321 6.708 1.00 0.00 H new ATOM 0 HA GLU A 39 119.440 -3.020 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.779 -1.697 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 39 117.026 -3.360 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.395 -2.490 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 39 118.123 -2.224 8.559 1.00 0.00 H new ATOM 624 N ASN A 40 119.140 -1.697 3.684 1.00 0.00 N ATOM 625 CA ASN A 40 119.256 -1.987 2.251 1.00 0.00 C ATOM 626 C ASN A 40 120.604 -2.635 1.948 1.00 0.00 C ATOM 627 O ASN A 40 120.697 -3.747 1.342 1.00 0.00 O ATOM 628 CB ASN A 40 119.055 -0.723 1.410 1.00 0.00 C ATOM 629 CG ASN A 40 117.618 -0.245 1.389 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.680 -1.046 1.457 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.428 1.042 1.295 1.00 0.00 N ATOM 0 H ASN A 40 119.278 -0.718 3.934 1.00 0.00 H new ATOM 0 HA ASN A 40 118.467 -2.689 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.690 0.072 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.382 -0.918 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.480 1.417 1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.228 1.673 1.241 1.00 0.00 H new ATOM 638 N ILE A 41 121.658 -2.009 2.419 1.00 0.00 N ATOM 639 CA ILE A 41 122.965 -2.556 2.193 1.00 0.00 C ATOM 640 C ILE A 41 123.087 -3.833 3.017 1.00 0.00 C ATOM 641 O ILE A 41 123.665 -4.814 2.575 1.00 0.00 O ATOM 642 CB ILE A 41 124.112 -1.529 2.491 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.338 -1.825 1.616 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.505 -1.511 3.976 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.402 -0.752 1.689 1.00 0.00 C ATOM 0 H ILE A 41 121.633 -1.138 2.950 1.00 0.00 H new ATOM 0 HA ILE A 41 123.083 -2.792 1.136 1.00 0.00 H new ATOM 0 HB ILE A 41 123.729 -0.538 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.771 -2.777 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.017 -1.938 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.303 -0.785 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.639 -1.235 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.852 -2.501 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.239 -1.026 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.984 0.198 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.750 -0.654 2.717 1.00 0.00 H new ATOM 657 N GLU A 42 122.432 -3.846 4.183 1.00 0.00 N ATOM 658 CA GLU A 42 122.409 -5.025 4.988 1.00 0.00 C ATOM 659 C GLU A 42 121.334 -6.003 4.609 1.00 0.00 C ATOM 660 O GLU A 42 121.201 -7.039 5.212 1.00 0.00 O ATOM 661 CB GLU A 42 122.574 -4.793 6.479 1.00 0.00 C ATOM 662 CG GLU A 42 124.023 -4.497 6.846 1.00 0.00 C ATOM 663 CD GLU A 42 124.245 -4.366 8.328 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.355 -5.398 9.038 1.00 0.00 O ATOM 665 OE2 GLU A 42 124.309 -3.231 8.825 1.00 0.00 O ATOM 0 H GLU A 42 121.922 -3.051 4.569 1.00 0.00 H new ATOM 0 HA GLU A 42 123.335 -5.538 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.942 -3.961 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.233 -5.673 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.659 -5.293 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.334 -3.574 6.356 1.00 0.00 H new ATOM 672 N PHE A 43 120.593 -5.669 3.583 1.00 0.00 N ATOM 673 CA PHE A 43 119.728 -6.613 2.933 1.00 0.00 C ATOM 674 C PHE A 43 120.623 -7.577 2.206 1.00 0.00 C ATOM 675 O PHE A 43 120.611 -8.791 2.464 1.00 0.00 O ATOM 676 CB PHE A 43 118.794 -5.896 1.934 1.00 0.00 C ATOM 677 CG PHE A 43 118.057 -6.785 0.983 1.00 0.00 C ATOM 678 CD1 PHE A 43 118.636 -7.168 -0.220 1.00 0.00 C ATOM 679 CD2 PHE A 43 116.803 -7.227 1.275 1.00 0.00 C ATOM 680 CE1 PHE A 43 117.968 -7.976 -1.097 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.126 -8.032 0.402 1.00 0.00 C ATOM 682 CZ PHE A 43 116.710 -8.408 -0.789 1.00 0.00 C ATOM 0 H PHE A 43 120.574 -4.734 3.177 1.00 0.00 H new ATOM 0 HA PHE A 43 119.095 -7.126 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.065 -5.315 2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.386 -5.187 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 43 119.629 -6.822 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.338 -6.939 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.432 -8.271 -2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.131 -8.374 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.173 -9.044 -1.478 1.00 0.00 H new ATOM 692 N TRP A 44 121.462 -7.052 1.317 1.00 0.00 N ATOM 693 CA TRP A 44 122.324 -7.980 0.621 1.00 0.00 C ATOM 694 C TRP A 44 123.552 -8.404 1.410 1.00 0.00 C ATOM 695 O TRP A 44 124.149 -9.447 1.128 1.00 0.00 O ATOM 696 CB TRP A 44 122.578 -7.698 -0.863 1.00 0.00 C ATOM 697 CG TRP A 44 123.164 -6.380 -1.235 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.547 -5.403 -1.952 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.482 -5.904 -0.955 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.402 -4.365 -2.158 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.592 -4.638 -1.534 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.583 -6.426 -0.265 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.745 -3.890 -1.449 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.729 -5.674 -0.180 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.803 -4.419 -0.767 1.00 0.00 C ATOM 0 H TRP A 44 121.558 -6.065 1.078 1.00 0.00 H new ATOM 0 HA TRP A 44 121.706 -8.876 0.569 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.240 -8.477 -1.242 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.629 -7.802 -1.390 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.528 -5.445 -2.306 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.192 -3.521 -2.690 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.532 -7.403 0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.810 -2.915 -1.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.584 -6.065 0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.716 -3.849 -0.683 1.00 0.00 H new ATOM 716 N ILE A 45 123.929 -7.615 2.409 1.00 0.00 N ATOM 717 CA ILE A 45 124.955 -8.050 3.348 1.00 0.00 C ATOM 718 C ILE A 45 124.395 -9.186 4.210 1.00 0.00 C ATOM 719 O ILE A 45 125.125 -10.078 4.615 1.00 0.00 O ATOM 720 CB ILE A 45 125.550 -6.879 4.207 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.527 -6.038 3.365 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.182 -7.349 5.510 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.097 -4.825 4.076 1.00 0.00 C ATOM 0 H ILE A 45 123.547 -6.686 2.588 1.00 0.00 H new ATOM 0 HA ILE A 45 125.804 -8.423 2.775 1.00 0.00 H new ATOM 0 HB ILE A 45 124.714 -6.245 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.352 -6.676 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.014 -5.705 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.574 -6.490 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.431 -7.853 6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.995 -8.041 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.774 -4.295 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.284 -4.161 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.643 -5.146 4.963 1.00 0.00 H new ATOM 735 N ALA A 46 123.076 -9.183 4.432 1.00 0.00 N ATOM 736 CA ALA A 46 122.436 -10.298 5.118 1.00 0.00 C ATOM 737 C ALA A 46 122.575 -11.538 4.270 1.00 0.00 C ATOM 738 O ALA A 46 122.781 -12.605 4.790 1.00 0.00 O ATOM 739 CB ALA A 46 120.965 -10.048 5.396 1.00 0.00 C ATOM 0 H ALA A 46 122.445 -8.433 4.150 1.00 0.00 H new ATOM 0 HA ALA A 46 122.932 -10.420 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.540 -10.911 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.859 -9.164 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.439 -9.889 4.455 1.00 0.00 H new ATOM 745 N CYS A 47 122.464 -11.374 2.950 1.00 0.00 N ATOM 746 CA CYS A 47 122.657 -12.481 2.006 1.00 0.00 C ATOM 747 C CYS A 47 124.143 -12.917 1.994 1.00 0.00 C ATOM 748 O CYS A 47 124.468 -14.089 1.800 1.00 0.00 O ATOM 749 CB CYS A 47 122.182 -12.083 0.596 1.00 0.00 C ATOM 750 SG CYS A 47 122.260 -13.407 -0.639 1.00 0.00 S ATOM 0 H CYS A 47 122.241 -10.482 2.508 1.00 0.00 H new ATOM 0 HA CYS A 47 122.054 -13.329 2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 47 121.154 -11.728 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.787 -11.246 0.248 1.00 0.00 H new ATOM 0 HG CYS A 47 123.147 -14.286 -0.278 1.00 0.00 H new ATOM 756 N GLU A 48 125.028 -11.973 2.216 1.00 0.00 N ATOM 757 CA GLU A 48 126.459 -12.239 2.338 1.00 0.00 C ATOM 758 C GLU A 48 126.705 -13.046 3.625 1.00 0.00 C ATOM 759 O GLU A 48 127.447 -14.028 3.638 1.00 0.00 O ATOM 760 CB GLU A 48 127.199 -10.897 2.358 1.00 0.00 C ATOM 761 CG GLU A 48 128.689 -10.940 2.649 1.00 0.00 C ATOM 762 CD GLU A 48 129.481 -11.634 1.585 1.00 0.00 C ATOM 763 OE1 GLU A 48 129.517 -11.140 0.443 1.00 0.00 O ATOM 764 OE2 GLU A 48 130.126 -12.648 1.875 1.00 0.00 O ATOM 0 H GLU A 48 124.782 -10.988 2.319 1.00 0.00 H new ATOM 0 HA GLU A 48 126.829 -12.825 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.056 -10.416 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 48 126.726 -10.259 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 48 129.060 -9.921 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.852 -11.445 3.601 1.00 0.00 H new ATOM 771 N ASP A 49 126.040 -12.641 4.687 1.00 0.00 N ATOM 772 CA ASP A 49 126.095 -13.330 5.974 1.00 0.00 C ATOM 773 C ASP A 49 125.382 -14.671 5.872 1.00 0.00 C ATOM 774 O ASP A 49 125.722 -15.626 6.544 1.00 0.00 O ATOM 775 CB ASP A 49 125.442 -12.476 7.052 1.00 0.00 C ATOM 776 CG ASP A 49 125.547 -13.097 8.413 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.611 -12.954 9.055 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.580 -13.743 8.866 1.00 0.00 O ATOM 0 H ASP A 49 125.438 -11.817 4.688 1.00 0.00 H new ATOM 0 HA ASP A 49 127.138 -13.499 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 49 125.912 -11.492 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.391 -12.324 6.805 1.00 0.00 H new ATOM 783 N PHE A 50 124.406 -14.719 5.015 1.00 0.00 N ATOM 784 CA PHE A 50 123.658 -15.915 4.701 1.00 0.00 C ATOM 785 C PHE A 50 124.573 -16.940 4.032 1.00 0.00 C ATOM 786 O PHE A 50 124.580 -18.101 4.394 1.00 0.00 O ATOM 787 CB PHE A 50 122.480 -15.529 3.799 1.00 0.00 C ATOM 788 CG PHE A 50 121.707 -16.660 3.264 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.852 -17.354 4.066 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.849 -17.033 1.951 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.145 -18.408 3.575 1.00 0.00 C ATOM 792 CE2 PHE A 50 121.146 -18.086 1.452 1.00 0.00 C ATOM 793 CZ PHE A 50 120.292 -18.777 2.262 1.00 0.00 C ATOM 0 H PHE A 50 124.092 -13.901 4.493 1.00 0.00 H new ATOM 0 HA PHE A 50 123.267 -16.374 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.807 -14.883 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.860 -14.941 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.734 -17.065 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.524 -16.487 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.469 -18.953 4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 50 121.264 -18.374 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.733 -19.613 1.870 1.00 0.00 H new ATOM 803 N LYS A 51 125.369 -16.468 3.092 1.00 0.00 N ATOM 804 CA LYS A 51 126.370 -17.279 2.395 1.00 0.00 C ATOM 805 C LYS A 51 127.459 -17.734 3.386 1.00 0.00 C ATOM 806 O LYS A 51 128.078 -18.793 3.238 1.00 0.00 O ATOM 807 CB LYS A 51 126.982 -16.427 1.285 1.00 0.00 C ATOM 808 CG LYS A 51 128.065 -17.103 0.474 1.00 0.00 C ATOM 809 CD LYS A 51 128.630 -16.169 -0.582 1.00 0.00 C ATOM 810 CE LYS A 51 129.287 -14.948 0.026 1.00 0.00 C ATOM 811 NZ LYS A 51 129.838 -14.052 -0.999 1.00 0.00 N ATOM 0 H LYS A 51 125.344 -15.497 2.781 1.00 0.00 H new ATOM 0 HA LYS A 51 125.908 -18.169 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.186 -16.114 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 51 127.396 -15.522 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 51 128.865 -17.433 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 51 127.660 -17.994 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 51 129.359 -16.707 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.829 -15.853 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.558 -14.406 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 51 130.084 -15.263 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 129.794 -13.069 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 130.828 -14.309 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 129.283 -14.142 -1.874 1.00 0.00 H new ATOM 825 N LYS A 52 127.666 -16.908 4.385 1.00 0.00 N ATOM 826 CA LYS A 52 128.597 -17.153 5.481 1.00 0.00 C ATOM 827 C LYS A 52 128.011 -18.251 6.392 1.00 0.00 C ATOM 828 O LYS A 52 128.727 -19.004 7.045 1.00 0.00 O ATOM 829 CB LYS A 52 128.731 -15.843 6.254 1.00 0.00 C ATOM 830 CG LYS A 52 129.688 -15.811 7.426 1.00 0.00 C ATOM 831 CD LYS A 52 129.415 -14.560 8.264 1.00 0.00 C ATOM 832 CE LYS A 52 129.551 -13.273 7.460 1.00 0.00 C ATOM 833 NZ LYS A 52 129.041 -12.104 8.213 1.00 0.00 N ATOM 0 H LYS A 52 127.179 -16.016 4.467 1.00 0.00 H new ATOM 0 HA LYS A 52 129.571 -17.482 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 52 129.037 -15.069 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 52 127.742 -15.568 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 52 129.565 -16.706 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 52 130.718 -15.807 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 52 128.409 -14.619 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 52 130.107 -14.533 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.598 -13.113 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.004 -13.369 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 128.862 -11.318 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 128.156 -12.361 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 129.747 -11.811 8.919 1.00 0.00 H new ATOM 847 N SER A 53 126.707 -18.352 6.378 1.00 0.00 N ATOM 848 CA SER A 53 125.966 -19.306 7.168 1.00 0.00 C ATOM 849 C SER A 53 125.597 -20.482 6.283 1.00 0.00 C ATOM 850 O SER A 53 124.486 -20.982 6.337 1.00 0.00 O ATOM 851 CB SER A 53 124.697 -18.641 7.660 1.00 0.00 C ATOM 852 OG SER A 53 124.993 -17.432 8.361 1.00 0.00 O ATOM 0 H SER A 53 126.113 -17.757 5.801 1.00 0.00 H new ATOM 0 HA SER A 53 126.562 -19.647 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.044 -18.425 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 53 124.155 -19.323 8.316 1.00 0.00 H new ATOM 0 HG SER A 53 125.128 -16.705 7.717 1.00 0.00 H new ATOM 858 N LYS A 54 126.573 -20.949 5.537 1.00 0.00 N ATOM 859 CA LYS A 54 126.423 -22.017 4.536 1.00 0.00 C ATOM 860 C LYS A 54 126.046 -23.404 5.087 1.00 0.00 C ATOM 861 O LYS A 54 126.135 -24.402 4.364 1.00 0.00 O ATOM 862 CB LYS A 54 127.651 -22.080 3.594 1.00 0.00 C ATOM 863 CG LYS A 54 129.026 -22.017 4.270 1.00 0.00 C ATOM 864 CD LYS A 54 129.321 -23.197 5.175 1.00 0.00 C ATOM 865 CE LYS A 54 130.666 -23.029 5.862 1.00 0.00 C ATOM 866 NZ LYS A 54 130.722 -21.797 6.690 1.00 0.00 N ATOM 0 H LYS A 54 127.527 -20.595 5.601 1.00 0.00 H new ATOM 0 HA LYS A 54 125.547 -21.726 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 54 127.594 -23.004 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 54 127.580 -21.257 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 54 129.796 -21.961 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.091 -21.099 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.535 -23.292 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 54 129.318 -24.118 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.862 -23.897 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 54 131.455 -22.996 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.121 -22.024 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.322 -21.089 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 129.762 -21.414 6.808 1.00 0.00 H new ATOM 880 N GLY A 55 125.621 -23.468 6.321 1.00 0.00 N ATOM 881 CA GLY A 55 125.107 -24.688 6.855 1.00 0.00 C ATOM 882 C GLY A 55 123.742 -24.882 6.252 1.00 0.00 C ATOM 883 O GLY A 55 122.912 -24.000 6.376 1.00 0.00 O ATOM 0 H GLY A 55 125.623 -22.683 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.761 -25.524 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 55 125.047 -24.640 7.942 1.00 0.00 H new ATOM 887 N PRO A 56 123.469 -26.011 5.592 1.00 0.00 N ATOM 888 CA PRO A 56 122.246 -26.182 4.806 1.00 0.00 C ATOM 889 C PRO A 56 120.960 -26.039 5.621 1.00 0.00 C ATOM 890 O PRO A 56 119.950 -25.562 5.111 1.00 0.00 O ATOM 891 CB PRO A 56 122.378 -27.576 4.191 1.00 0.00 C ATOM 892 CG PRO A 56 123.379 -28.278 5.039 1.00 0.00 C ATOM 893 CD PRO A 56 124.302 -27.219 5.578 1.00 0.00 C ATOM 0 HA PRO A 56 122.155 -25.395 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.422 -28.100 4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 56 122.709 -27.520 3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.890 -28.816 5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.932 -29.015 4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 56 124.661 -27.470 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 56 125.181 -27.093 4.945 1.00 0.00 H new ATOM 901 N GLN A 57 121.004 -26.390 6.890 1.00 0.00 N ATOM 902 CA GLN A 57 119.827 -26.247 7.729 1.00 0.00 C ATOM 903 C GLN A 57 119.638 -24.786 8.079 1.00 0.00 C ATOM 904 O GLN A 57 118.507 -24.290 8.152 1.00 0.00 O ATOM 905 CB GLN A 57 119.909 -27.081 9.000 1.00 0.00 C ATOM 906 CG GLN A 57 120.051 -28.572 8.771 1.00 0.00 C ATOM 907 CD GLN A 57 119.899 -29.371 10.051 1.00 0.00 C ATOM 908 OE1 GLN A 57 119.062 -28.894 10.949 1.00 0.00 O flip ATOM 909 NE2 GLN A 57 120.511 -30.432 10.218 1.00 0.00 N flip ATOM 0 H GLN A 57 121.826 -26.770 7.359 1.00 0.00 H new ATOM 0 HA GLN A 57 118.971 -26.616 7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.757 -26.736 9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.013 -26.902 9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 57 119.301 -28.899 8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 57 121.027 -28.778 8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 57 121.151 -30.770 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 57 120.376 -30.970 11.074 1.00 0.00 H new ATOM 918 N GLN A 58 120.761 -24.090 8.235 1.00 0.00 N ATOM 919 CA GLN A 58 120.769 -22.669 8.533 1.00 0.00 C ATOM 920 C GLN A 58 120.194 -21.910 7.359 1.00 0.00 C ATOM 921 O GLN A 58 119.505 -20.916 7.541 1.00 0.00 O ATOM 922 CB GLN A 58 122.197 -22.172 8.829 1.00 0.00 C ATOM 923 CG GLN A 58 122.284 -20.685 9.168 1.00 0.00 C ATOM 924 CD GLN A 58 121.464 -20.334 10.392 1.00 0.00 C ATOM 925 OE1 GLN A 58 120.908 -19.166 10.403 1.00 0.00 O flip ATOM 926 NE2 GLN A 58 121.310 -21.140 11.304 1.00 0.00 N flip ATOM 0 H GLN A 58 121.691 -24.501 8.157 1.00 0.00 H new ATOM 0 HA GLN A 58 120.161 -22.496 9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.605 -22.747 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.827 -22.373 7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.325 -20.412 9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 58 121.936 -20.098 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 58 121.764 -22.052 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 58 120.727 -20.898 12.106 1.00 0.00 H new ATOM 935 N ILE A 59 120.471 -22.413 6.158 1.00 0.00 N ATOM 936 CA ILE A 59 119.980 -21.829 4.915 1.00 0.00 C ATOM 937 C ILE A 59 118.466 -21.669 4.968 1.00 0.00 C ATOM 938 O ILE A 59 117.951 -20.604 4.710 1.00 0.00 O ATOM 939 CB ILE A 59 120.358 -22.696 3.674 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.873 -22.952 3.613 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.850 -22.077 2.375 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.753 -21.720 3.702 1.00 0.00 C ATOM 0 H ILE A 59 121.047 -23.244 6.021 1.00 0.00 H new ATOM 0 HA ILE A 59 120.455 -20.854 4.810 1.00 0.00 H new ATOM 0 HB ILE A 59 119.861 -23.659 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.142 -23.627 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.098 -23.470 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.134 -22.711 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.764 -21.990 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.289 -21.087 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.801 -22.017 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.524 -21.049 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.568 -21.208 4.646 1.00 0.00 H new ATOM 954 N HIS A 60 117.772 -22.727 5.365 1.00 0.00 N ATOM 955 CA HIS A 60 116.299 -22.705 5.443 1.00 0.00 C ATOM 956 C HIS A 60 115.821 -21.650 6.417 1.00 0.00 C ATOM 957 O HIS A 60 114.941 -20.855 6.098 1.00 0.00 O ATOM 958 CB HIS A 60 115.717 -24.067 5.858 1.00 0.00 C ATOM 959 CG HIS A 60 115.987 -25.176 4.903 1.00 0.00 C ATOM 960 ND1 HIS A 60 117.049 -25.981 4.786 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 115.114 -25.561 3.925 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.810 -26.827 3.750 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.634 -26.554 3.244 1.00 0.00 N flip ATOM 0 H HIS A 60 118.194 -23.614 5.640 1.00 0.00 H new ATOM 0 HA HIS A 60 115.944 -22.468 4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.123 -24.338 6.833 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.639 -23.964 5.979 1.00 0.00 H new ATOM 0 HD1 HIS A 60 117.886 -25.963 5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 60 114.147 -25.117 3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 60 117.481 -27.598 3.401 1.00 0.00 H new ATOM 972 N LEU A 61 116.432 -21.639 7.581 1.00 0.00 N ATOM 973 CA LEU A 61 116.067 -20.729 8.662 1.00 0.00 C ATOM 974 C LEU A 61 116.339 -19.294 8.252 1.00 0.00 C ATOM 975 O LEU A 61 115.426 -18.484 8.088 1.00 0.00 O ATOM 976 CB LEU A 61 116.938 -21.030 9.870 1.00 0.00 C ATOM 977 CG LEU A 61 117.009 -22.474 10.313 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.075 -22.615 11.364 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.668 -22.942 10.836 1.00 0.00 C ATOM 0 H LEU A 61 117.204 -22.264 7.813 1.00 0.00 H new ATOM 0 HA LEU A 61 115.009 -20.860 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 61 117.951 -20.691 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.575 -20.434 10.708 1.00 0.00 H new ATOM 0 HG LEU A 61 117.264 -23.101 9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.131 -23.654 11.688 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.036 -22.311 10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.831 -21.982 12.217 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.743 -23.983 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.375 -22.328 11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.919 -22.853 10.049 1.00 0.00 H new ATOM 991 N LYS A 62 117.610 -19.031 8.047 1.00 0.00 N ATOM 992 CA LYS A 62 118.128 -17.716 7.737 1.00 0.00 C ATOM 993 C LYS A 62 117.518 -17.102 6.477 1.00 0.00 C ATOM 994 O LYS A 62 117.129 -15.940 6.497 1.00 0.00 O ATOM 995 CB LYS A 62 119.677 -17.744 7.734 1.00 0.00 C ATOM 996 CG LYS A 62 120.354 -16.453 7.318 1.00 0.00 C ATOM 997 CD LYS A 62 121.802 -16.328 7.806 1.00 0.00 C ATOM 998 CE LYS A 62 121.878 -16.063 9.313 1.00 0.00 C ATOM 999 NZ LYS A 62 123.274 -15.856 9.785 1.00 0.00 N ATOM 0 H LYS A 62 118.334 -19.748 8.093 1.00 0.00 H new ATOM 0 HA LYS A 62 117.814 -17.036 8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.020 -18.007 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.007 -18.539 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.339 -16.380 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.777 -15.611 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.344 -17.244 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.297 -15.518 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.282 -15.183 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.437 -16.903 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.292 -15.850 10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.877 -16.627 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.630 -14.947 9.427 1.00 0.00 H new ATOM 1013 N ALA A 63 117.383 -17.879 5.412 1.00 0.00 N ATOM 1014 CA ALA A 63 116.782 -17.357 4.170 1.00 0.00 C ATOM 1015 C ALA A 63 115.347 -16.938 4.403 1.00 0.00 C ATOM 1016 O ALA A 63 114.951 -15.830 4.058 1.00 0.00 O ATOM 1017 CB ALA A 63 116.829 -18.372 3.029 1.00 0.00 C ATOM 0 H ALA A 63 117.672 -18.856 5.371 1.00 0.00 H new ATOM 0 HA ALA A 63 117.378 -16.492 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.374 -17.939 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.866 -18.633 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.280 -19.269 3.317 1.00 0.00 H new ATOM 1023 N LYS A 64 114.581 -17.816 5.022 1.00 0.00 N ATOM 1024 CA LYS A 64 113.166 -17.572 5.261 1.00 0.00 C ATOM 1025 C LYS A 64 112.966 -16.388 6.231 1.00 0.00 C ATOM 1026 O LYS A 64 111.975 -15.650 6.133 1.00 0.00 O ATOM 1027 CB LYS A 64 112.512 -18.849 5.786 1.00 0.00 C ATOM 1028 CG LYS A 64 110.991 -18.840 5.868 1.00 0.00 C ATOM 1029 CD LYS A 64 110.339 -18.617 4.512 1.00 0.00 C ATOM 1030 CE LYS A 64 108.836 -18.899 4.559 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.102 -18.040 5.519 1.00 0.00 N ATOM 0 H LYS A 64 114.916 -18.713 5.372 1.00 0.00 H new ATOM 0 HA LYS A 64 112.685 -17.297 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.816 -19.678 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.908 -19.053 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.647 -19.787 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.671 -18.057 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.507 -17.589 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.809 -19.264 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.417 -18.757 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.679 -19.944 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.091 -18.283 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.477 -18.192 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.223 -17.042 5.254 1.00 0.00 H new ATOM 1045 N ALA A 65 113.922 -16.194 7.126 1.00 0.00 N ATOM 1046 CA ALA A 65 113.890 -15.081 8.059 1.00 0.00 C ATOM 1047 C ALA A 65 114.088 -13.757 7.317 1.00 0.00 C ATOM 1048 O ALA A 65 113.281 -12.813 7.474 1.00 0.00 O ATOM 1049 CB ALA A 65 114.944 -15.262 9.139 1.00 0.00 C ATOM 0 H ALA A 65 114.737 -16.800 7.225 1.00 0.00 H new ATOM 0 HA ALA A 65 112.913 -15.058 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 65 114.906 -14.419 9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 65 114.752 -16.186 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 65 115.931 -15.310 8.679 1.00 0.00 H new ATOM 1055 N ILE A 66 115.139 -13.703 6.480 1.00 0.00 N ATOM 1056 CA ILE A 66 115.457 -12.520 5.663 1.00 0.00 C ATOM 1057 C ILE A 66 114.291 -12.240 4.719 1.00 0.00 C ATOM 1058 O ILE A 66 113.889 -11.093 4.503 1.00 0.00 O ATOM 1059 CB ILE A 66 116.765 -12.742 4.828 1.00 0.00 C ATOM 1060 CG1 ILE A 66 117.960 -13.021 5.758 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.050 -11.542 3.919 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.264 -13.342 5.039 1.00 0.00 C ATOM 0 H ILE A 66 115.791 -14.477 6.351 1.00 0.00 H new ATOM 0 HA ILE A 66 115.619 -11.671 6.328 1.00 0.00 H new ATOM 0 HB ILE A 66 116.615 -13.614 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.117 -12.151 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.707 -13.855 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.963 -11.724 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.217 -11.401 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.173 -10.646 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.049 -13.524 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.130 -14.231 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.547 -12.501 4.406 1.00 0.00 H new ATOM 1074 N TYR A 67 113.747 -13.312 4.196 1.00 0.00 N ATOM 1075 CA TYR A 67 112.593 -13.294 3.337 1.00 0.00 C ATOM 1076 C TYR A 67 111.434 -12.515 3.970 1.00 0.00 C ATOM 1077 O TYR A 67 110.978 -11.535 3.415 1.00 0.00 O ATOM 1078 CB TYR A 67 112.180 -14.736 3.053 1.00 0.00 C ATOM 1079 CG TYR A 67 110.921 -14.879 2.278 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.896 -14.619 0.932 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.752 -15.262 2.901 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.740 -14.732 0.214 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.591 -15.385 2.203 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.577 -15.123 0.863 1.00 0.00 C ATOM 1085 OH TYR A 67 107.393 -15.237 0.181 1.00 0.00 O ATOM 0 H TYR A 67 114.109 -14.251 4.364 1.00 0.00 H new ATOM 0 HA TYR A 67 112.846 -12.787 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.985 -15.229 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.069 -15.261 4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.805 -14.320 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.758 -15.468 3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.731 -14.520 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.685 -15.688 2.706 1.00 0.00 H new ATOM 0 HH TYR A 67 106.687 -15.523 0.797 1.00 0.00 H new ATOM 1095 N GLU A 68 111.015 -12.909 5.150 1.00 0.00 N ATOM 1096 CA GLU A 68 109.849 -12.288 5.777 1.00 0.00 C ATOM 1097 C GLU A 68 110.131 -10.880 6.292 1.00 0.00 C ATOM 1098 O GLU A 68 109.212 -10.078 6.470 1.00 0.00 O ATOM 1099 CB GLU A 68 109.311 -13.139 6.904 1.00 0.00 C ATOM 1100 CG GLU A 68 108.926 -14.538 6.490 1.00 0.00 C ATOM 1101 CD GLU A 68 108.202 -15.258 7.580 1.00 0.00 C ATOM 1102 OE1 GLU A 68 108.837 -15.695 8.560 1.00 0.00 O ATOM 1103 OE2 GLU A 68 106.982 -15.417 7.481 1.00 0.00 O ATOM 0 H GLU A 68 111.453 -13.649 5.699 1.00 0.00 H new ATOM 0 HA GLU A 68 109.097 -12.210 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.063 -13.198 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.439 -12.646 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.296 -14.494 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.822 -15.096 6.218 1.00 0.00 H new ATOM 1110 N LYS A 69 111.376 -10.577 6.525 1.00 0.00 N ATOM 1111 CA LYS A 69 111.742 -9.287 7.062 1.00 0.00 C ATOM 1112 C LYS A 69 111.973 -8.257 5.948 1.00 0.00 C ATOM 1113 O LYS A 69 111.806 -7.047 6.159 1.00 0.00 O ATOM 1114 CB LYS A 69 112.989 -9.427 7.958 1.00 0.00 C ATOM 1115 CG LYS A 69 113.477 -8.124 8.583 1.00 0.00 C ATOM 1116 CD LYS A 69 114.674 -8.334 9.501 1.00 0.00 C ATOM 1117 CE LYS A 69 114.307 -9.144 10.731 1.00 0.00 C ATOM 1118 NZ LYS A 69 115.477 -9.394 11.598 1.00 0.00 N ATOM 0 H LYS A 69 112.161 -11.205 6.353 1.00 0.00 H new ATOM 0 HA LYS A 69 110.914 -8.920 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 69 112.768 -10.136 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.798 -9.855 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 69 113.747 -7.424 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 69 112.664 -7.668 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.467 -8.844 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 69 115.070 -7.366 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 69 113.542 -8.615 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 69 113.874 -10.096 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 115.183 -9.950 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 116.198 -9.922 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 115.875 -8.487 11.914 1.00 0.00 H new ATOM 1132 N PHE A 70 112.266 -8.731 4.755 1.00 0.00 N ATOM 1133 CA PHE A 70 112.666 -7.847 3.678 1.00 0.00 C ATOM 1134 C PHE A 70 111.903 -8.134 2.400 1.00 0.00 C ATOM 1135 O PHE A 70 111.247 -7.262 1.851 1.00 0.00 O ATOM 1136 CB PHE A 70 114.172 -7.987 3.396 1.00 0.00 C ATOM 1137 CG PHE A 70 115.098 -7.538 4.496 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.406 -6.199 4.652 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.681 -8.457 5.349 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.273 -5.786 5.642 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.546 -8.050 6.342 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.844 -6.712 6.488 1.00 0.00 C ATOM 0 H PHE A 70 112.235 -9.720 4.506 1.00 0.00 H new ATOM 0 HA PHE A 70 112.438 -6.831 4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.384 -9.033 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.407 -7.418 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.963 -5.469 3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.456 -9.507 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.504 -4.737 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 70 116.990 -8.778 7.005 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.523 -6.390 7.263 1.00 0.00 H new ATOM 1152 N ILE A 71 111.994 -9.366 1.947 1.00 0.00 N ATOM 1153 CA ILE A 71 111.399 -9.811 0.675 1.00 0.00 C ATOM 1154 C ILE A 71 109.870 -9.736 0.741 1.00 0.00 C ATOM 1155 O ILE A 71 109.184 -9.582 -0.287 1.00 0.00 O ATOM 1156 CB ILE A 71 111.839 -11.279 0.353 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.362 -11.374 0.348 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.272 -11.809 -0.977 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.027 -10.430 -0.622 1.00 0.00 C ATOM 0 H ILE A 71 112.486 -10.106 2.447 1.00 0.00 H new ATOM 0 HA ILE A 71 111.752 -9.149 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 71 111.424 -11.910 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.733 -11.169 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.652 -12.396 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.616 -12.831 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.183 -11.795 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.615 -11.177 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.108 -10.556 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.686 -10.648 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.768 -9.403 -0.366 1.00 0.00 H new ATOM 1171 N GLN A 72 109.347 -9.845 1.945 1.00 0.00 N ATOM 1172 CA GLN A 72 107.926 -9.764 2.159 1.00 0.00 C ATOM 1173 C GLN A 72 107.462 -8.358 1.828 1.00 0.00 C ATOM 1174 O GLN A 72 108.156 -7.393 2.135 1.00 0.00 O ATOM 1175 CB GLN A 72 107.566 -10.122 3.600 1.00 0.00 C ATOM 1176 CG GLN A 72 106.073 -10.292 3.821 1.00 0.00 C ATOM 1177 CD GLN A 72 105.490 -11.320 2.871 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.038 -10.983 1.777 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.493 -12.566 3.275 1.00 0.00 N ATOM 0 H GLN A 72 109.894 -9.991 2.793 1.00 0.00 H new ATOM 0 HA GLN A 72 107.424 -10.481 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.075 -11.046 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 72 107.938 -9.343 4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 72 105.888 -10.599 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.571 -9.335 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 72 105.877 -12.805 4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.111 -13.297 2.675 1.00 0.00 H new ATOM 1188 N THR A 73 106.316 -8.246 1.209 1.00 0.00 N ATOM 1189 CA THR A 73 105.828 -6.966 0.757 1.00 0.00 C ATOM 1190 C THR A 73 105.550 -6.060 1.951 1.00 0.00 C ATOM 1191 O THR A 73 106.168 -5.003 2.096 1.00 0.00 O ATOM 1192 CB THR A 73 104.588 -7.130 -0.135 1.00 0.00 C ATOM 1193 OG1 THR A 73 104.901 -8.055 -1.206 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.188 -5.796 -0.745 1.00 0.00 C ATOM 0 H THR A 73 105.698 -9.031 1.004 1.00 0.00 H new ATOM 0 HA THR A 73 106.598 -6.493 0.147 1.00 0.00 H new ATOM 0 HB THR A 73 103.764 -7.505 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.115 -8.168 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.308 -5.933 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.960 -5.086 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.009 -5.411 -1.350 1.00 0.00 H new ATOM 1202 N ASP A 74 104.663 -6.470 2.809 1.00 0.00 N ATOM 1203 CA ASP A 74 104.468 -5.749 4.033 1.00 0.00 C ATOM 1204 C ASP A 74 105.331 -6.396 5.067 1.00 0.00 C ATOM 1205 O ASP A 74 104.975 -7.413 5.645 1.00 0.00 O ATOM 1206 CB ASP A 74 103.013 -5.712 4.489 1.00 0.00 C ATOM 1207 CG ASP A 74 102.863 -4.917 5.770 1.00 0.00 C ATOM 1208 OD1 ASP A 74 102.849 -3.666 5.716 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.763 -5.519 6.853 1.00 0.00 O ATOM 0 H ASP A 74 104.069 -7.290 2.687 1.00 0.00 H new ATOM 0 HA ASP A 74 104.743 -4.706 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.395 -5.269 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.651 -6.728 4.644 1.00 0.00 H new ATOM 1214 N ALA A 75 106.491 -5.865 5.219 1.00 0.00 N ATOM 1215 CA ALA A 75 107.475 -6.402 6.108 1.00 0.00 C ATOM 1216 C ALA A 75 107.860 -5.340 7.115 1.00 0.00 C ATOM 1217 O ALA A 75 107.499 -4.179 6.938 1.00 0.00 O ATOM 1218 CB ALA A 75 108.688 -6.825 5.292 1.00 0.00 C ATOM 0 H ALA A 75 106.795 -5.028 4.722 1.00 0.00 H new ATOM 0 HA ALA A 75 107.081 -7.267 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.448 -7.237 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.392 -7.582 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.094 -5.959 4.769 1.00 0.00 H new ATOM 1224 N PRO A 76 108.567 -5.706 8.200 1.00 0.00 N ATOM 1225 CA PRO A 76 109.036 -4.730 9.175 1.00 0.00 C ATOM 1226 C PRO A 76 110.098 -3.800 8.580 1.00 0.00 C ATOM 1227 O PRO A 76 110.302 -2.687 9.062 1.00 0.00 O ATOM 1228 CB PRO A 76 109.645 -5.588 10.297 1.00 0.00 C ATOM 1229 CG PRO A 76 109.942 -6.901 9.662 1.00 0.00 C ATOM 1230 CD PRO A 76 108.902 -7.092 8.605 1.00 0.00 C ATOM 0 HA PRO A 76 108.232 -4.080 9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.549 -5.130 10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.950 -5.701 11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.943 -6.908 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.905 -7.706 10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.283 -7.675 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.030 -7.620 8.990 1.00 0.00 H new ATOM 1238 N LYS A 77 110.767 -4.257 7.527 1.00 0.00 N ATOM 1239 CA LYS A 77 111.817 -3.471 6.897 1.00 0.00 C ATOM 1240 C LYS A 77 111.415 -3.012 5.509 1.00 0.00 C ATOM 1241 O LYS A 77 111.572 -1.834 5.186 1.00 0.00 O ATOM 1242 CB LYS A 77 113.133 -4.247 6.858 1.00 0.00 C ATOM 1243 CG LYS A 77 113.723 -4.611 8.235 1.00 0.00 C ATOM 1244 CD LYS A 77 114.381 -3.428 8.967 1.00 0.00 C ATOM 1245 CE LYS A 77 113.416 -2.328 9.369 1.00 0.00 C ATOM 1246 NZ LYS A 77 114.092 -1.206 10.046 1.00 0.00 N ATOM 0 H LYS A 77 110.600 -5.165 7.094 1.00 0.00 H new ATOM 0 HA LYS A 77 111.967 -2.579 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.977 -5.166 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.868 -3.657 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.930 -5.017 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.463 -5.401 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.881 -3.801 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.152 -3.002 8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 77 112.902 -1.957 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 77 112.654 -2.741 10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 113.380 -0.573 10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.710 -1.575 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 114.663 -0.677 9.356 1.00 0.00 H new ATOM 1260 N GLU A 78 110.908 -3.959 4.694 1.00 0.00 N ATOM 1261 CA GLU A 78 110.399 -3.702 3.314 1.00 0.00 C ATOM 1262 C GLU A 78 111.529 -3.373 2.337 1.00 0.00 C ATOM 1263 O GLU A 78 112.529 -2.748 2.695 1.00 0.00 O ATOM 1264 CB GLU A 78 109.370 -2.572 3.292 1.00 0.00 C ATOM 1265 CG GLU A 78 108.215 -2.761 4.236 1.00 0.00 C ATOM 1266 CD GLU A 78 107.380 -1.530 4.346 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.891 -0.489 4.825 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.188 -1.570 3.992 1.00 0.00 O ATOM 0 H GLU A 78 110.836 -4.938 4.970 1.00 0.00 H new ATOM 0 HA GLU A 78 109.919 -4.627 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.872 -1.636 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.982 -2.471 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.596 -3.590 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.592 -3.033 5.222 1.00 0.00 H new ATOM 1275 N VAL A 79 111.373 -3.794 1.114 1.00 0.00 N ATOM 1276 CA VAL A 79 112.355 -3.549 0.088 1.00 0.00 C ATOM 1277 C VAL A 79 111.631 -3.084 -1.164 1.00 0.00 C ATOM 1278 O VAL A 79 110.566 -3.615 -1.500 1.00 0.00 O ATOM 1279 CB VAL A 79 113.163 -4.845 -0.265 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.279 -4.557 -1.240 1.00 0.00 C ATOM 1281 CG2 VAL A 79 113.727 -5.513 0.964 1.00 0.00 C ATOM 0 H VAL A 79 110.559 -4.319 0.796 1.00 0.00 H new ATOM 0 HA VAL A 79 113.054 -2.798 0.455 1.00 0.00 H new ATOM 0 HB VAL A 79 112.453 -5.527 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 79 114.816 -5.479 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 79 113.861 -4.151 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 79 114.966 -3.832 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.279 -6.406 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.398 -4.824 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 79 112.913 -5.792 1.633 1.00 0.00 H new ATOM 1291 N ASN A 80 112.200 -2.126 -1.871 1.00 0.00 N ATOM 1292 CA ASN A 80 111.638 -1.645 -3.152 1.00 0.00 C ATOM 1293 C ASN A 80 112.089 -2.607 -4.263 1.00 0.00 C ATOM 1294 O ASN A 80 112.495 -2.197 -5.360 1.00 0.00 O ATOM 1295 CB ASN A 80 112.150 -0.224 -3.473 1.00 0.00 C ATOM 1296 CG ASN A 80 111.819 0.841 -2.427 1.00 0.00 C ATOM 1297 OD1 ASN A 80 112.571 1.806 -2.259 1.00 0.00 O ATOM 1298 ND2 ASN A 80 110.724 0.699 -1.723 1.00 0.00 N ATOM 0 H ASN A 80 113.059 -1.652 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 80 110.551 -1.612 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.232 -0.265 -3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 80 111.732 0.088 -4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 80 110.477 1.394 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 80 110.118 -0.106 -1.879 1.00 0.00 H new ATOM 1305 N LEU A 81 111.983 -3.877 -3.963 1.00 0.00 N ATOM 1306 CA LEU A 81 112.462 -4.955 -4.783 1.00 0.00 C ATOM 1307 C LEU A 81 111.529 -5.219 -5.957 1.00 0.00 C ATOM 1308 O LEU A 81 110.303 -5.181 -5.811 1.00 0.00 O ATOM 1309 CB LEU A 81 112.619 -6.200 -3.897 1.00 0.00 C ATOM 1310 CG LEU A 81 113.193 -7.462 -4.517 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.612 -7.228 -4.909 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.103 -8.622 -3.538 1.00 0.00 C ATOM 0 H LEU A 81 111.541 -4.199 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 81 113.427 -4.688 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.252 -5.928 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.637 -6.446 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 81 112.614 -7.715 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.021 -8.135 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.660 -6.415 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.194 -6.962 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.518 -9.519 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.667 -8.382 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.059 -8.798 -3.277 1.00 0.00 H new ATOM 1324 N ASP A 82 112.134 -5.445 -7.109 1.00 0.00 N ATOM 1325 CA ASP A 82 111.437 -5.764 -8.363 1.00 0.00 C ATOM 1326 C ASP A 82 110.506 -6.956 -8.182 1.00 0.00 C ATOM 1327 O ASP A 82 110.907 -7.980 -7.602 1.00 0.00 O ATOM 1328 CB ASP A 82 112.464 -6.083 -9.450 1.00 0.00 C ATOM 1329 CG ASP A 82 111.846 -6.332 -10.808 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.487 -7.488 -11.127 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.708 -5.368 -11.586 1.00 0.00 O ATOM 0 H ASP A 82 113.148 -5.413 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 82 110.840 -4.900 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.169 -5.256 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.035 -6.962 -9.153 1.00 0.00 H new ATOM 1336 N PHE A 83 109.284 -6.820 -8.696 1.00 0.00 N ATOM 1337 CA PHE A 83 108.223 -7.820 -8.568 1.00 0.00 C ATOM 1338 C PHE A 83 108.690 -9.217 -8.980 1.00 0.00 C ATOM 1339 O PHE A 83 108.492 -10.179 -8.236 1.00 0.00 O ATOM 1340 CB PHE A 83 106.989 -7.408 -9.404 1.00 0.00 C ATOM 1341 CG PHE A 83 105.783 -8.310 -9.232 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.632 -9.463 -9.992 1.00 0.00 C ATOM 1343 CD2 PHE A 83 104.806 -8.001 -8.308 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.533 -10.283 -9.827 1.00 0.00 C ATOM 1345 CE2 PHE A 83 103.703 -8.817 -8.139 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.568 -9.959 -8.899 1.00 0.00 C ATOM 0 H PHE A 83 108.998 -5.995 -9.224 1.00 0.00 H new ATOM 0 HA PHE A 83 107.950 -7.863 -7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.707 -6.390 -9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.268 -7.393 -10.458 1.00 0.00 H new ATOM 0 HD1 PHE A 83 106.385 -9.722 -10.722 1.00 0.00 H new ATOM 0 HD2 PHE A 83 104.904 -7.108 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 83 104.430 -11.177 -10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 83 102.947 -8.560 -7.412 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.708 -10.598 -8.767 1.00 0.00 H new ATOM 1356 N HIS A 84 109.328 -9.323 -10.138 1.00 0.00 N ATOM 1357 CA HIS A 84 109.764 -10.620 -10.643 1.00 0.00 C ATOM 1358 C HIS A 84 110.889 -11.198 -9.798 1.00 0.00 C ATOM 1359 O HIS A 84 110.969 -12.407 -9.624 1.00 0.00 O ATOM 1360 CB HIS A 84 110.139 -10.556 -12.134 1.00 0.00 C ATOM 1361 CG HIS A 84 110.694 -11.845 -12.707 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.961 -13.004 -12.832 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.930 -12.142 -13.174 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.714 -13.946 -13.350 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.913 -13.454 -13.570 1.00 0.00 N ATOM 0 H HIS A 84 109.554 -8.533 -10.742 1.00 0.00 H new ATOM 0 HA HIS A 84 108.917 -11.301 -10.560 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.255 -10.273 -12.705 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.876 -9.765 -12.275 1.00 0.00 H new ATOM 0 HD1 HIS A 84 108.983 -13.114 -12.563 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.773 -11.469 -13.225 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.400 -14.958 -13.561 1.00 0.00 H new ATOM 1374 N THR A 85 111.734 -10.347 -9.265 1.00 0.00 N ATOM 1375 CA THR A 85 112.783 -10.806 -8.393 1.00 0.00 C ATOM 1376 C THR A 85 112.167 -11.365 -7.103 1.00 0.00 C ATOM 1377 O THR A 85 112.501 -12.469 -6.683 1.00 0.00 O ATOM 1378 CB THR A 85 113.787 -9.681 -8.103 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.356 -9.233 -9.359 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.899 -10.169 -7.176 1.00 0.00 C ATOM 0 H THR A 85 111.714 -9.339 -9.420 1.00 0.00 H new ATOM 0 HA THR A 85 113.337 -11.605 -8.885 1.00 0.00 H new ATOM 0 HB THR A 85 113.271 -8.859 -7.607 1.00 0.00 H new ATOM 0 HG1 THR A 85 115.287 -9.533 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.598 -9.354 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.466 -10.504 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.428 -10.998 -7.647 1.00 0.00 H new ATOM 1388 N LYS A 86 111.222 -10.611 -6.528 1.00 0.00 N ATOM 1389 CA LYS A 86 110.463 -11.053 -5.348 1.00 0.00 C ATOM 1390 C LYS A 86 109.818 -12.403 -5.640 1.00 0.00 C ATOM 1391 O LYS A 86 109.919 -13.329 -4.853 1.00 0.00 O ATOM 1392 CB LYS A 86 109.362 -10.043 -4.992 1.00 0.00 C ATOM 1393 CG LYS A 86 109.862 -8.655 -4.648 1.00 0.00 C ATOM 1394 CD LYS A 86 108.728 -7.672 -4.391 1.00 0.00 C ATOM 1395 CE LYS A 86 107.856 -8.088 -3.223 1.00 0.00 C ATOM 1396 NZ LYS A 86 106.775 -7.114 -2.980 1.00 0.00 N ATOM 0 H LYS A 86 110.962 -9.683 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 86 111.152 -11.133 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.672 -9.968 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 86 108.793 -10.429 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 86 110.497 -8.710 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.482 -8.284 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 86 109.145 -6.684 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 86 108.114 -7.588 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 86 107.425 -9.069 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.469 -8.184 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 106.033 -7.556 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.159 -6.287 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 106.370 -6.811 -3.889 1.00 0.00 H new ATOM 1410 N GLU A 87 109.189 -12.484 -6.802 1.00 0.00 N ATOM 1411 CA GLU A 87 108.539 -13.687 -7.305 1.00 0.00 C ATOM 1412 C GLU A 87 109.490 -14.890 -7.272 1.00 0.00 C ATOM 1413 O GLU A 87 109.177 -15.930 -6.666 1.00 0.00 O ATOM 1414 CB GLU A 87 108.071 -13.421 -8.728 1.00 0.00 C ATOM 1415 CG GLU A 87 107.493 -14.607 -9.447 1.00 0.00 C ATOM 1416 CD GLU A 87 107.131 -14.261 -10.851 1.00 0.00 C ATOM 1417 OE1 GLU A 87 106.018 -13.779 -11.094 1.00 0.00 O ATOM 1418 OE2 GLU A 87 107.969 -14.447 -11.747 1.00 0.00 O ATOM 0 H GLU A 87 109.114 -11.692 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 87 107.689 -13.929 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.321 -12.631 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.915 -13.043 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 87 108.215 -15.424 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.609 -14.962 -8.917 1.00 0.00 H new ATOM 1425 N VAL A 88 110.653 -14.735 -7.871 1.00 0.00 N ATOM 1426 CA VAL A 88 111.642 -15.799 -7.896 1.00 0.00 C ATOM 1427 C VAL A 88 112.018 -16.207 -6.475 1.00 0.00 C ATOM 1428 O VAL A 88 112.027 -17.384 -6.157 1.00 0.00 O ATOM 1429 CB VAL A 88 112.906 -15.411 -8.714 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.945 -16.527 -8.678 1.00 0.00 C ATOM 1431 CG2 VAL A 88 112.521 -15.114 -10.153 1.00 0.00 C ATOM 0 H VAL A 88 110.939 -13.881 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 88 111.190 -16.653 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 88 113.343 -14.520 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 88 114.819 -16.230 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 88 114.241 -16.715 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 88 113.519 -17.435 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 88 113.412 -14.843 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 88 112.064 -15.998 -10.597 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.811 -14.287 -10.176 1.00 0.00 H new ATOM 1441 N ILE A 89 112.232 -15.227 -5.614 1.00 0.00 N ATOM 1442 CA ILE A 89 112.589 -15.486 -4.219 1.00 0.00 C ATOM 1443 C ILE A 89 111.469 -16.232 -3.496 1.00 0.00 C ATOM 1444 O ILE A 89 111.724 -17.215 -2.828 1.00 0.00 O ATOM 1445 CB ILE A 89 112.883 -14.186 -3.453 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.976 -13.403 -4.160 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.288 -14.488 -2.001 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.260 -12.080 -3.526 1.00 0.00 C ATOM 0 H ILE A 89 112.166 -14.238 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 89 113.490 -16.099 -4.240 1.00 0.00 H new ATOM 0 HB ILE A 89 111.976 -13.582 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.890 -13.997 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.686 -13.246 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.491 -13.553 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.477 -15.016 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 89 114.183 -15.109 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.050 -11.573 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.358 -11.469 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.580 -12.232 -2.495 1.00 0.00 H new ATOM 1460 N THR A 90 110.222 -15.779 -3.669 1.00 0.00 N ATOM 1461 CA THR A 90 109.071 -16.398 -3.002 1.00 0.00 C ATOM 1462 C THR A 90 108.957 -17.891 -3.345 1.00 0.00 C ATOM 1463 O THR A 90 108.440 -18.691 -2.562 1.00 0.00 O ATOM 1464 CB THR A 90 107.731 -15.671 -3.328 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.465 -15.696 -4.731 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.768 -14.228 -2.864 1.00 0.00 C ATOM 0 H THR A 90 109.984 -14.986 -4.265 1.00 0.00 H new ATOM 0 HA THR A 90 109.251 -16.297 -1.932 1.00 0.00 H new ATOM 0 HB THR A 90 106.940 -16.202 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 90 108.230 -16.088 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.821 -13.744 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.929 -14.196 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.581 -13.705 -3.368 1.00 0.00 H new ATOM 1474 N ASN A 91 109.458 -18.251 -4.504 1.00 0.00 N ATOM 1475 CA ASN A 91 109.467 -19.628 -4.927 1.00 0.00 C ATOM 1476 C ASN A 91 110.771 -20.304 -4.480 1.00 0.00 C ATOM 1477 O ASN A 91 110.757 -21.382 -3.915 1.00 0.00 O ATOM 1478 CB ASN A 91 109.286 -19.708 -6.448 1.00 0.00 C ATOM 1479 CG ASN A 91 107.972 -19.094 -6.915 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.959 -19.140 -6.210 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.981 -18.486 -8.076 1.00 0.00 N ATOM 0 H ASN A 91 109.868 -17.601 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 91 108.637 -20.159 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 91 110.116 -19.197 -6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 91 109.327 -20.751 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 91 107.135 -18.033 -8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 91 108.834 -18.466 -8.635 1.00 0.00 H new ATOM 1488 N SER A 92 111.881 -19.613 -4.657 1.00 0.00 N ATOM 1489 CA SER A 92 113.228 -20.102 -4.324 1.00 0.00 C ATOM 1490 C SER A 92 113.504 -20.021 -2.798 1.00 0.00 C ATOM 1491 O SER A 92 114.636 -20.222 -2.348 1.00 0.00 O ATOM 1492 CB SER A 92 114.261 -19.253 -5.128 1.00 0.00 C ATOM 1493 OG SER A 92 115.620 -19.662 -4.955 1.00 0.00 O ATOM 0 H SER A 92 111.883 -18.670 -5.046 1.00 0.00 H new ATOM 0 HA SER A 92 113.314 -21.154 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 92 114.010 -19.305 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 92 114.167 -18.209 -4.829 1.00 0.00 H new ATOM 0 HG SER A 92 115.751 -19.982 -4.038 1.00 0.00 H new ATOM 1499 N ILE A 93 112.481 -19.741 -2.017 1.00 0.00 N ATOM 1500 CA ILE A 93 112.648 -19.610 -0.584 1.00 0.00 C ATOM 1501 C ILE A 93 112.121 -20.853 0.143 1.00 0.00 C ATOM 1502 O ILE A 93 112.510 -21.139 1.279 1.00 0.00 O ATOM 1503 CB ILE A 93 111.926 -18.336 -0.045 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.479 -17.944 1.314 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.417 -18.538 0.031 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.918 -17.481 1.248 1.00 0.00 C ATOM 0 H ILE A 93 111.527 -19.600 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 93 113.716 -19.512 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 93 112.117 -17.525 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.865 -17.148 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.406 -18.796 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.947 -17.631 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 110.029 -18.759 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 93 110.194 -19.369 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.260 -17.214 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.541 -18.284 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.991 -16.611 0.595 1.00 0.00 H new ATOM 1518 N THR A 94 111.222 -21.578 -0.510 1.00 0.00 N ATOM 1519 CA THR A 94 110.645 -22.780 0.082 1.00 0.00 C ATOM 1520 C THR A 94 111.718 -23.884 0.179 1.00 0.00 C ATOM 1521 O THR A 94 111.730 -24.686 1.116 1.00 0.00 O ATOM 1522 CB THR A 94 109.365 -23.249 -0.682 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.742 -24.373 -0.038 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.671 -23.592 -2.125 1.00 0.00 C ATOM 0 H THR A 94 110.878 -21.357 -1.444 1.00 0.00 H new ATOM 0 HA THR A 94 110.314 -22.547 1.094 1.00 0.00 H new ATOM 0 HB THR A 94 108.669 -22.410 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.944 -24.638 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.757 -23.914 -2.624 1.00 0.00 H new ATOM 0 HG22 THR A 94 110.071 -22.713 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.406 -24.396 -2.160 1.00 0.00 H new ATOM 1532 N GLN A 95 112.630 -23.884 -0.778 1.00 0.00 N ATOM 1533 CA GLN A 95 113.812 -24.712 -0.764 1.00 0.00 C ATOM 1534 C GLN A 95 114.959 -23.787 -1.138 1.00 0.00 C ATOM 1535 O GLN A 95 115.363 -23.718 -2.303 1.00 0.00 O ATOM 1536 CB GLN A 95 113.743 -25.888 -1.759 1.00 0.00 C ATOM 1537 CG GLN A 95 112.590 -26.862 -1.561 1.00 0.00 C ATOM 1538 CD GLN A 95 112.540 -27.516 -0.182 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.663 -27.700 0.466 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 111.458 -27.863 0.297 1.00 0.00 N flip ATOM 0 H GLN A 95 112.562 -23.291 -1.605 1.00 0.00 H new ATOM 0 HA GLN A 95 113.931 -25.169 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.680 -25.481 -2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.678 -26.445 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 95 111.652 -26.334 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 95 112.658 -27.644 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 95 110.596 -27.709 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.425 -28.303 1.216 1.00 0.00 H new ATOM 1549 N PRO A 96 115.417 -22.984 -0.175 1.00 0.00 N ATOM 1550 CA PRO A 96 116.403 -21.932 -0.411 1.00 0.00 C ATOM 1551 C PRO A 96 117.788 -22.443 -0.753 1.00 0.00 C ATOM 1552 O PRO A 96 118.187 -23.552 -0.368 1.00 0.00 O ATOM 1553 CB PRO A 96 116.431 -21.171 0.908 1.00 0.00 C ATOM 1554 CG PRO A 96 116.035 -22.184 1.919 1.00 0.00 C ATOM 1555 CD PRO A 96 115.018 -23.041 1.237 1.00 0.00 C ATOM 0 HA PRO A 96 116.125 -21.330 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.422 -20.768 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.740 -20.328 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.893 -22.773 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.619 -21.711 2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.033 -24.062 1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.007 -22.660 1.385 1.00 0.00 H new ATOM 1563 N THR A 97 118.501 -21.624 -1.450 1.00 0.00 N ATOM 1564 CA THR A 97 119.832 -21.886 -1.867 1.00 0.00 C ATOM 1565 C THR A 97 120.713 -20.749 -1.402 1.00 0.00 C ATOM 1566 O THR A 97 120.200 -19.713 -0.962 1.00 0.00 O ATOM 1567 CB THR A 97 119.888 -22.070 -3.398 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.011 -21.112 -4.038 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.481 -23.482 -3.791 1.00 0.00 C ATOM 0 H THR A 97 118.154 -20.715 -1.757 1.00 0.00 H new ATOM 0 HA THR A 97 120.194 -22.814 -1.424 1.00 0.00 H new ATOM 0 HB THR A 97 120.914 -21.904 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.050 -21.231 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.529 -23.586 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 97 120.159 -24.198 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.463 -23.675 -3.453 1.00 0.00 H new ATOM 1577 N LEU A 98 122.015 -20.925 -1.519 1.00 0.00 N ATOM 1578 CA LEU A 98 123.005 -20.010 -0.979 1.00 0.00 C ATOM 1579 C LEU A 98 122.875 -18.577 -1.515 1.00 0.00 C ATOM 1580 O LEU A 98 123.396 -17.637 -0.924 1.00 0.00 O ATOM 1581 CB LEU A 98 124.398 -20.547 -1.243 1.00 0.00 C ATOM 1582 CG LEU A 98 125.425 -20.174 -0.201 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.016 -20.785 1.126 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.793 -20.663 -0.618 1.00 0.00 C ATOM 0 H LEU A 98 122.424 -21.725 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 98 122.822 -19.949 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.347 -21.634 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.736 -20.183 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 98 125.475 -19.090 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.750 -20.523 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.038 -20.402 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.966 -21.869 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.525 -20.388 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.774 -21.747 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.068 -20.207 -1.569 1.00 0.00 H new ATOM 1596 N HIS A 99 122.230 -18.411 -2.643 1.00 0.00 N ATOM 1597 CA HIS A 99 121.991 -17.093 -3.174 1.00 0.00 C ATOM 1598 C HIS A 99 120.558 -16.921 -3.627 1.00 0.00 C ATOM 1599 O HIS A 99 120.306 -16.424 -4.717 1.00 0.00 O ATOM 1600 CB HIS A 99 122.974 -16.710 -4.302 1.00 0.00 C ATOM 1601 CG HIS A 99 124.380 -16.518 -3.841 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.419 -17.372 -3.829 1.00 0.00 N flip ATOM 1603 CD2 HIS A 99 124.845 -15.347 -3.269 1.00 0.00 C flip ATOM 1604 CE1 HIS A 99 126.471 -16.723 -3.256 1.00 0.00 C flip ATOM 1605 NE2 HIS A 99 126.099 -15.502 -2.922 1.00 0.00 N flip ATOM 0 H HIS A 99 121.861 -19.173 -3.211 1.00 0.00 H new ATOM 0 HA HIS A 99 122.172 -16.403 -2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.956 -17.487 -5.066 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.628 -15.791 -4.775 1.00 0.00 H new ATOM 0 HD1 HIS A 99 125.419 -18.328 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.265 -14.446 -3.130 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.454 -17.142 -3.100 1.00 0.00 H new ATOM 1614 N SER A 100 119.601 -17.308 -2.772 1.00 0.00 N ATOM 1615 CA SER A 100 118.169 -17.062 -3.048 1.00 0.00 C ATOM 1616 C SER A 100 117.859 -15.542 -3.146 1.00 0.00 C ATOM 1617 O SER A 100 116.781 -15.135 -3.583 1.00 0.00 O ATOM 1618 CB SER A 100 117.263 -17.736 -1.976 1.00 0.00 C ATOM 1619 OG SER A 100 117.328 -19.158 -2.055 1.00 0.00 O ATOM 0 H SER A 100 119.784 -17.788 -1.891 1.00 0.00 H new ATOM 0 HA SER A 100 117.946 -17.513 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.571 -17.412 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.232 -17.410 -2.113 1.00 0.00 H new ATOM 0 HG SER A 100 116.436 -19.516 -2.248 1.00 0.00 H new ATOM 1625 N PHE A 101 118.823 -14.718 -2.750 1.00 0.00 N ATOM 1626 CA PHE A 101 118.674 -13.278 -2.782 1.00 0.00 C ATOM 1627 C PHE A 101 119.705 -12.651 -3.737 1.00 0.00 C ATOM 1628 O PHE A 101 119.959 -11.460 -3.671 1.00 0.00 O ATOM 1629 CB PHE A 101 118.878 -12.697 -1.373 1.00 0.00 C ATOM 1630 CG PHE A 101 118.080 -13.376 -0.295 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.742 -13.085 -0.107 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.680 -14.314 0.534 1.00 0.00 C ATOM 1633 CE1 PHE A 101 116.019 -13.717 0.886 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.962 -14.944 1.522 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.632 -14.644 1.696 1.00 0.00 C ATOM 0 H PHE A 101 119.727 -15.035 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 101 117.669 -13.046 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.936 -12.760 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.616 -11.639 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.258 -12.358 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.725 -14.552 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.974 -13.483 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.441 -15.672 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.066 -15.138 2.472 1.00 0.00 H new ATOM 1645 N ASP A 102 120.269 -13.447 -4.657 1.00 0.00 N ATOM 1646 CA ASP A 102 121.322 -12.927 -5.574 1.00 0.00 C ATOM 1647 C ASP A 102 120.792 -11.890 -6.549 1.00 0.00 C ATOM 1648 O ASP A 102 121.431 -10.848 -6.776 1.00 0.00 O ATOM 1649 CB ASP A 102 122.035 -14.030 -6.360 1.00 0.00 C ATOM 1650 CG ASP A 102 123.025 -13.449 -7.367 1.00 0.00 C ATOM 1651 OD1 ASP A 102 124.149 -13.073 -6.976 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.678 -13.329 -8.561 1.00 0.00 O ATOM 0 H ASP A 102 120.030 -14.429 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 102 122.046 -12.452 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.561 -14.688 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.298 -14.640 -6.883 1.00 0.00 H new ATOM 1657 N ALA A 103 119.630 -12.145 -7.108 1.00 0.00 N ATOM 1658 CA ALA A 103 119.048 -11.222 -8.067 1.00 0.00 C ATOM 1659 C ALA A 103 118.607 -9.981 -7.337 1.00 0.00 C ATOM 1660 O ALA A 103 118.735 -8.852 -7.826 1.00 0.00 O ATOM 1661 CB ALA A 103 117.876 -11.857 -8.787 1.00 0.00 C ATOM 0 H ALA A 103 119.070 -12.976 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 103 119.795 -10.964 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.458 -11.146 -9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.214 -12.747 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.112 -12.136 -8.062 1.00 0.00 H new ATOM 1667 N ALA A 104 118.143 -10.197 -6.128 1.00 0.00 N ATOM 1668 CA ALA A 104 117.688 -9.138 -5.280 1.00 0.00 C ATOM 1669 C ALA A 104 118.855 -8.290 -4.786 1.00 0.00 C ATOM 1670 O ALA A 104 118.689 -7.107 -4.508 1.00 0.00 O ATOM 1671 CB ALA A 104 116.854 -9.704 -4.155 1.00 0.00 C ATOM 0 H ALA A 104 118.073 -11.124 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 104 117.049 -8.466 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.511 -8.893 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.993 -10.229 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.456 -10.400 -3.570 1.00 0.00 H new ATOM 1677 N GLN A 105 120.036 -8.896 -4.721 1.00 0.00 N ATOM 1678 CA GLN A 105 121.266 -8.192 -4.383 1.00 0.00 C ATOM 1679 C GLN A 105 121.488 -7.093 -5.415 1.00 0.00 C ATOM 1680 O GLN A 105 121.713 -5.939 -5.065 1.00 0.00 O ATOM 1681 CB GLN A 105 122.455 -9.208 -4.349 1.00 0.00 C ATOM 1682 CG GLN A 105 123.842 -8.669 -3.930 1.00 0.00 C ATOM 1683 CD GLN A 105 124.526 -7.779 -4.958 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.338 -7.935 -6.167 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.309 -6.837 -4.494 1.00 0.00 N ATOM 0 H GLN A 105 120.166 -9.891 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 105 121.198 -7.734 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.188 -10.016 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.551 -9.647 -5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.731 -8.107 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.494 -9.516 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.443 -6.735 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.785 -6.206 -5.139 1.00 0.00 H new ATOM 1694 N SER A 106 121.355 -7.453 -6.683 1.00 0.00 N ATOM 1695 CA SER A 106 121.544 -6.519 -7.767 1.00 0.00 C ATOM 1696 C SER A 106 120.443 -5.445 -7.761 1.00 0.00 C ATOM 1697 O SER A 106 120.702 -4.272 -8.057 1.00 0.00 O ATOM 1698 CB SER A 106 121.571 -7.280 -9.090 1.00 0.00 C ATOM 1699 OG SER A 106 122.570 -8.308 -9.050 1.00 0.00 O ATOM 0 H SER A 106 121.114 -8.398 -6.982 1.00 0.00 H new ATOM 0 HA SER A 106 122.497 -6.005 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.593 -7.721 -9.284 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.779 -6.592 -9.909 1.00 0.00 H new ATOM 0 HG SER A 106 122.577 -8.791 -9.903 1.00 0.00 H new ATOM 1705 N ARG A 107 119.237 -5.848 -7.364 1.00 0.00 N ATOM 1706 CA ARG A 107 118.106 -4.946 -7.296 1.00 0.00 C ATOM 1707 C ARG A 107 118.334 -3.874 -6.255 1.00 0.00 C ATOM 1708 O ARG A 107 118.248 -2.691 -6.543 1.00 0.00 O ATOM 1709 CB ARG A 107 116.827 -5.703 -6.968 1.00 0.00 C ATOM 1710 CG ARG A 107 116.371 -6.691 -8.020 1.00 0.00 C ATOM 1711 CD ARG A 107 116.156 -6.007 -9.345 1.00 0.00 C ATOM 1712 NE ARG A 107 115.600 -6.903 -10.357 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.606 -6.644 -11.664 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.401 -5.696 -12.150 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.882 -7.375 -12.487 1.00 0.00 N ATOM 0 H ARG A 107 119.025 -6.805 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 107 118.002 -4.477 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.972 -6.238 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.029 -4.980 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.115 -7.480 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.445 -7.169 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.485 -5.159 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.105 -5.607 -9.701 1.00 0.00 H new ATOM 0 HE ARG A 107 115.182 -7.779 -10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.006 -5.167 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 107 116.406 -5.498 -13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.315 -8.141 -12.124 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.888 -7.175 -13.487 1.00 0.00 H new ATOM 1729 N VAL A 108 118.673 -4.291 -5.061 1.00 0.00 N ATOM 1730 CA VAL A 108 118.881 -3.372 -3.960 1.00 0.00 C ATOM 1731 C VAL A 108 120.135 -2.544 -4.170 1.00 0.00 C ATOM 1732 O VAL A 108 120.217 -1.386 -3.735 1.00 0.00 O ATOM 1733 CB VAL A 108 118.886 -4.115 -2.620 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.088 -3.165 -1.457 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.569 -4.826 -2.478 1.00 0.00 C ATOM 0 H VAL A 108 118.813 -5.272 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 108 118.045 -2.673 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 108 119.714 -4.824 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.086 -3.727 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.043 -2.651 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.281 -2.432 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.546 -5.364 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.758 -4.098 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.446 -5.532 -3.299 1.00 0.00 H new ATOM 1745 N TYR A 109 121.095 -3.124 -4.863 1.00 0.00 N ATOM 1746 CA TYR A 109 122.270 -2.406 -5.270 1.00 0.00 C ATOM 1747 C TYR A 109 121.871 -1.168 -6.095 1.00 0.00 C ATOM 1748 O TYR A 109 122.233 -0.048 -5.749 1.00 0.00 O ATOM 1749 CB TYR A 109 123.235 -3.330 -6.056 1.00 0.00 C ATOM 1750 CG TYR A 109 124.232 -2.582 -6.909 1.00 0.00 C ATOM 1751 CD1 TYR A 109 125.430 -2.150 -6.391 1.00 0.00 C ATOM 1752 CD2 TYR A 109 123.928 -2.256 -8.230 1.00 0.00 C ATOM 1753 CE1 TYR A 109 126.294 -1.407 -7.155 1.00 0.00 C ATOM 1754 CE2 TYR A 109 124.788 -1.529 -8.999 1.00 0.00 C ATOM 1755 CZ TYR A 109 125.972 -1.099 -8.457 1.00 0.00 C ATOM 1756 OH TYR A 109 126.825 -0.317 -9.206 1.00 0.00 O ATOM 0 H TYR A 109 121.076 -4.101 -5.155 1.00 0.00 H new ATOM 0 HA TYR A 109 122.802 -2.064 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.775 -3.961 -5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.650 -3.993 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.693 -2.398 -5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 109 122.991 -2.586 -8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.228 -1.064 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 109 124.539 -1.294 -10.024 1.00 0.00 H new ATOM 0 HH TYR A 109 126.374 0.518 -9.449 1.00 0.00 H new ATOM 1766 N GLN A 110 121.090 -1.369 -7.155 1.00 0.00 N ATOM 1767 CA GLN A 110 120.693 -0.252 -7.993 1.00 0.00 C ATOM 1768 C GLN A 110 119.718 0.667 -7.273 1.00 0.00 C ATOM 1769 O GLN A 110 119.694 1.875 -7.536 1.00 0.00 O ATOM 1770 CB GLN A 110 120.147 -0.680 -9.352 1.00 0.00 C ATOM 1771 CG GLN A 110 118.964 -1.612 -9.297 1.00 0.00 C ATOM 1772 CD GLN A 110 118.234 -1.690 -10.611 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.831 -1.535 -11.690 1.00 0.00 O ATOM 1774 NE2 GLN A 110 116.952 -1.903 -10.551 1.00 0.00 N ATOM 0 H GLN A 110 120.728 -2.277 -7.446 1.00 0.00 H new ATOM 0 HA GLN A 110 121.606 0.309 -8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 110 119.862 0.212 -9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 110 120.947 -1.165 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.303 -2.608 -9.013 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.276 -1.276 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 110 116.497 -2.026 -9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 110 116.402 -1.948 -11.409 1.00 0.00 H new ATOM 1783 N LEU A 111 118.925 0.094 -6.351 1.00 0.00 N ATOM 1784 CA LEU A 111 118.026 0.883 -5.511 1.00 0.00 C ATOM 1785 C LEU A 111 118.813 1.927 -4.768 1.00 0.00 C ATOM 1786 O LEU A 111 118.466 3.091 -4.781 1.00 0.00 O ATOM 1787 CB LEU A 111 117.278 0.021 -4.485 1.00 0.00 C ATOM 1788 CG LEU A 111 116.269 -0.978 -5.019 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.660 -1.759 -3.867 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.191 -0.267 -5.816 1.00 0.00 C ATOM 0 H LEU A 111 118.893 -0.910 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 111 117.292 1.342 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.018 -0.526 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 111 116.760 0.689 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 111 116.777 -1.676 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 111 114.936 -2.475 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.447 -2.292 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.160 -1.071 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.475 -0.998 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.676 0.448 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.646 0.260 -6.655 1.00 0.00 H new ATOM 1802 N MET A 112 119.888 1.504 -4.153 1.00 0.00 N ATOM 1803 CA MET A 112 120.726 2.407 -3.402 1.00 0.00 C ATOM 1804 C MET A 112 121.549 3.299 -4.314 1.00 0.00 C ATOM 1805 O MET A 112 121.873 4.402 -3.945 1.00 0.00 O ATOM 1806 CB MET A 112 121.640 1.656 -2.442 1.00 0.00 C ATOM 1807 CG MET A 112 120.923 0.961 -1.306 1.00 0.00 C ATOM 1808 SD MET A 112 122.049 0.038 -0.245 1.00 0.00 S ATOM 1809 CE MET A 112 122.656 -1.184 -1.396 1.00 0.00 C ATOM 0 H MET A 112 120.206 0.535 -4.157 1.00 0.00 H new ATOM 0 HA MET A 112 120.058 3.039 -2.817 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.206 0.914 -3.005 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.362 2.358 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.391 1.701 -0.709 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.174 0.282 -1.714 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.505 -2.181 -0.982 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.115 -1.097 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.719 -1.022 -1.572 1.00 0.00 H new ATOM 1819 N GLU A 113 121.863 2.827 -5.504 1.00 0.00 N ATOM 1820 CA GLU A 113 122.684 3.583 -6.444 1.00 0.00 C ATOM 1821 C GLU A 113 122.013 4.921 -6.838 1.00 0.00 C ATOM 1822 O GLU A 113 122.420 5.990 -6.374 1.00 0.00 O ATOM 1823 CB GLU A 113 123.020 2.740 -7.689 1.00 0.00 C ATOM 1824 CG GLU A 113 124.013 3.401 -8.634 1.00 0.00 C ATOM 1825 CD GLU A 113 124.307 2.576 -9.865 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.597 2.738 -10.882 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.268 1.772 -9.856 1.00 0.00 O ATOM 0 H GLU A 113 121.562 1.916 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 113 123.620 3.825 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.424 1.780 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.099 2.532 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 113 123.622 4.371 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 113 124.944 3.587 -8.099 1.00 0.00 H new ATOM 1834 N GLN A 114 120.927 4.847 -7.574 1.00 0.00 N ATOM 1835 CA GLN A 114 120.228 6.047 -8.109 1.00 0.00 C ATOM 1836 C GLN A 114 119.421 6.790 -7.023 1.00 0.00 C ATOM 1837 O GLN A 114 118.531 7.595 -7.327 1.00 0.00 O ATOM 1838 CB GLN A 114 119.284 5.611 -9.221 1.00 0.00 C ATOM 1839 CG GLN A 114 118.233 4.616 -8.747 1.00 0.00 C ATOM 1840 CD GLN A 114 117.309 4.135 -9.837 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.025 4.969 -10.800 1.00 0.00 O flip ATOM 1842 NE2 GLN A 114 116.824 3.009 -9.784 1.00 0.00 N flip ATOM 0 H GLN A 114 120.485 3.965 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 114 120.986 6.735 -8.483 1.00 0.00 H new ATOM 0 HB2 GLN A 114 118.787 6.489 -9.634 1.00 0.00 H new ATOM 0 HB3 GLN A 114 119.863 5.163 -10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.735 3.756 -8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 114 117.639 5.078 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.069 2.384 -9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.176 2.698 -10.508 1.00 0.00 H new ATOM 1851 N ASP A 115 119.759 6.560 -5.800 1.00 0.00 N ATOM 1852 CA ASP A 115 119.027 7.100 -4.687 1.00 0.00 C ATOM 1853 C ASP A 115 119.987 7.567 -3.593 1.00 0.00 C ATOM 1854 O ASP A 115 120.149 8.756 -3.357 1.00 0.00 O ATOM 1855 CB ASP A 115 118.091 6.004 -4.174 1.00 0.00 C ATOM 1856 CG ASP A 115 117.261 6.368 -2.983 1.00 0.00 C ATOM 1857 OD1 ASP A 115 117.714 6.136 -1.845 1.00 0.00 O ATOM 1858 OD2 ASP A 115 116.111 6.819 -3.158 1.00 0.00 O ATOM 0 H ASP A 115 120.559 5.986 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 115 118.446 7.970 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.423 5.713 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.689 5.128 -3.924 1.00 0.00 H new ATOM 1863 N SER A 116 120.682 6.634 -3.005 1.00 0.00 N ATOM 1864 CA SER A 116 121.553 6.913 -1.895 1.00 0.00 C ATOM 1865 C SER A 116 123.038 7.118 -2.324 1.00 0.00 C ATOM 1866 O SER A 116 123.781 7.769 -1.625 1.00 0.00 O ATOM 1867 CB SER A 116 121.436 5.774 -0.879 1.00 0.00 C ATOM 1868 OG SER A 116 120.076 5.542 -0.507 1.00 0.00 O ATOM 0 H SER A 116 120.661 5.653 -3.283 1.00 0.00 H new ATOM 0 HA SER A 116 121.237 7.855 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 116 121.859 4.863 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.021 6.015 0.009 1.00 0.00 H new ATOM 0 HG SER A 116 119.484 5.849 -1.225 1.00 0.00 H new ATOM 1874 N TYR A 117 123.448 6.588 -3.481 1.00 0.00 N ATOM 1875 CA TYR A 117 124.856 6.683 -3.938 1.00 0.00 C ATOM 1876 C TYR A 117 125.272 8.114 -4.231 1.00 0.00 C ATOM 1877 O TYR A 117 126.254 8.598 -3.687 1.00 0.00 O ATOM 1878 CB TYR A 117 125.071 5.759 -5.136 1.00 0.00 C ATOM 1879 CG TYR A 117 126.350 5.922 -5.934 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.613 5.866 -5.348 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.274 6.118 -7.301 1.00 0.00 C ATOM 1882 CE1 TYR A 117 128.755 6.007 -6.123 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.396 6.257 -8.070 1.00 0.00 C ATOM 1884 CZ TYR A 117 128.629 6.202 -7.487 1.00 0.00 C ATOM 1885 OH TYR A 117 129.740 6.353 -8.271 1.00 0.00 O ATOM 0 H TYR A 117 122.833 6.088 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 117 125.504 6.351 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.029 4.731 -4.778 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.231 5.894 -5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.704 5.712 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.304 6.162 -7.773 1.00 0.00 H new ATOM 0 HE1 TYR A 117 129.733 5.965 -5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.307 6.410 -9.135 1.00 0.00 H new ATOM 0 HH TYR A 117 130.542 6.157 -7.743 1.00 0.00 H new ATOM 1895 N THR A 118 124.520 8.785 -5.063 1.00 0.00 N ATOM 1896 CA THR A 118 124.789 10.181 -5.383 1.00 0.00 C ATOM 1897 C THR A 118 124.668 11.071 -4.111 1.00 0.00 C ATOM 1898 O THR A 118 125.446 12.018 -3.895 1.00 0.00 O ATOM 1899 CB THR A 118 123.862 10.668 -6.544 1.00 0.00 C ATOM 1900 OG1 THR A 118 123.970 12.087 -6.740 1.00 0.00 O ATOM 1901 CG2 THR A 118 122.406 10.245 -6.321 1.00 0.00 C ATOM 0 H THR A 118 123.708 8.393 -5.540 1.00 0.00 H new ATOM 0 HA THR A 118 125.816 10.271 -5.736 1.00 0.00 H new ATOM 0 HB THR A 118 124.205 10.182 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.380 12.362 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 118 121.793 10.602 -7.148 1.00 0.00 H new ATOM 0 HG22 THR A 118 122.347 9.158 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 118 122.041 10.674 -5.388 1.00 0.00 H new ATOM 1909 N ARG A 119 123.736 10.692 -3.257 1.00 0.00 N ATOM 1910 CA ARG A 119 123.488 11.329 -1.974 1.00 0.00 C ATOM 1911 C ARG A 119 124.754 11.156 -1.083 1.00 0.00 C ATOM 1912 O ARG A 119 125.263 12.111 -0.472 1.00 0.00 O ATOM 1913 CB ARG A 119 122.246 10.629 -1.407 1.00 0.00 C ATOM 1914 CG ARG A 119 121.667 11.108 -0.098 1.00 0.00 C ATOM 1915 CD ARG A 119 120.375 10.337 0.139 1.00 0.00 C ATOM 1916 NE ARG A 119 119.746 10.570 1.441 1.00 0.00 N ATOM 1917 CZ ARG A 119 118.475 10.966 1.599 1.00 0.00 C ATOM 1918 NH1 ARG A 119 117.764 11.410 0.559 1.00 0.00 N ATOM 1919 NH2 ARG A 119 117.925 10.909 2.798 1.00 0.00 N ATOM 0 H ARG A 119 123.110 9.908 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 119 123.303 12.401 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 119 121.459 10.696 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.488 9.572 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 119 122.370 10.938 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.473 12.180 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.664 10.600 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.581 9.272 0.037 1.00 0.00 H new ATOM 0 HE ARG A 119 120.309 10.422 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 119 118.187 11.451 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 119 116.798 11.708 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.466 10.566 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 119 116.959 11.208 2.931 1.00 0.00 H new ATOM 1933 N PHE A 120 125.282 9.943 -1.082 1.00 0.00 N ATOM 1934 CA PHE A 120 126.531 9.614 -0.418 1.00 0.00 C ATOM 1935 C PHE A 120 127.670 10.435 -0.987 1.00 0.00 C ATOM 1936 O PHE A 120 128.452 10.983 -0.244 1.00 0.00 O ATOM 1937 CB PHE A 120 126.827 8.106 -0.540 1.00 0.00 C ATOM 1938 CG PHE A 120 128.244 7.685 -0.202 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.676 7.553 1.111 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.138 7.406 -1.223 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.978 7.153 1.386 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.425 7.014 -0.950 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.845 6.886 0.353 1.00 0.00 C ATOM 0 H PHE A 120 124.848 9.148 -1.550 1.00 0.00 H new ATOM 0 HA PHE A 120 126.434 9.857 0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.141 7.566 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.608 7.793 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.996 7.762 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.817 7.498 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.308 7.052 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.109 6.806 -1.760 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.857 6.575 0.565 1.00 0.00 H new ATOM 1953 N LEU A 121 127.725 10.560 -2.299 1.00 0.00 N ATOM 1954 CA LEU A 121 128.788 11.319 -2.951 1.00 0.00 C ATOM 1955 C LEU A 121 128.792 12.791 -2.537 1.00 0.00 C ATOM 1956 O LEU A 121 129.821 13.466 -2.640 1.00 0.00 O ATOM 1957 CB LEU A 121 128.739 11.177 -4.476 1.00 0.00 C ATOM 1958 CG LEU A 121 128.938 9.759 -5.024 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.954 9.772 -6.540 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.217 9.140 -4.482 1.00 0.00 C ATOM 0 H LEU A 121 127.047 10.147 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 121 129.727 10.885 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.776 11.549 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.505 11.823 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 121 128.099 9.147 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.096 8.757 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.007 10.164 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.770 10.404 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.334 8.135 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.070 9.751 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.165 9.090 -3.394 1.00 0.00 H new ATOM 1972 N LYS A 122 127.653 13.292 -2.098 1.00 0.00 N ATOM 1973 CA LYS A 122 127.575 14.650 -1.583 1.00 0.00 C ATOM 1974 C LYS A 122 127.419 14.717 -0.064 1.00 0.00 C ATOM 1975 O LYS A 122 127.223 15.821 0.496 1.00 0.00 O ATOM 1976 CB LYS A 122 126.509 15.498 -2.303 1.00 0.00 C ATOM 1977 CG LYS A 122 127.057 16.301 -3.483 1.00 0.00 C ATOM 1978 CD LYS A 122 127.647 15.420 -4.568 1.00 0.00 C ATOM 1979 CE LYS A 122 128.441 16.233 -5.580 1.00 0.00 C ATOM 1980 NZ LYS A 122 127.621 17.248 -6.269 1.00 0.00 N ATOM 0 H LYS A 122 126.770 12.782 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 122 128.544 15.094 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.715 14.842 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.058 16.184 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.256 16.907 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 122 127.822 16.990 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.294 14.669 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 122 126.846 14.885 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 122 129.270 16.726 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.875 15.560 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 128.190 17.713 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 126.797 16.789 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 127.297 17.958 -5.581 1.00 0.00 H new ATOM 1994 N SER A 123 127.497 13.576 0.622 1.00 0.00 N ATOM 1995 CA SER A 123 127.471 13.593 2.068 1.00 0.00 C ATOM 1996 C SER A 123 128.794 14.148 2.583 1.00 0.00 C ATOM 1997 O SER A 123 129.819 14.087 1.872 1.00 0.00 O ATOM 1998 CB SER A 123 127.252 12.176 2.629 1.00 0.00 C ATOM 1999 OG SER A 123 128.346 11.313 2.321 1.00 0.00 O ATOM 0 H SER A 123 127.577 12.650 0.202 1.00 0.00 H new ATOM 0 HA SER A 123 126.645 14.224 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.123 12.228 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.333 11.760 2.218 1.00 0.00 H new ATOM 0 HG SER A 123 128.274 11.013 1.391 1.00 0.00 H new ATOM 2005 N ASP A 124 128.794 14.671 3.803 1.00 0.00 N ATOM 2006 CA ASP A 124 130.023 15.157 4.433 1.00 0.00 C ATOM 2007 C ASP A 124 130.977 14.008 4.560 1.00 0.00 C ATOM 2008 O ASP A 124 132.156 14.168 4.396 1.00 0.00 O ATOM 2009 CB ASP A 124 129.748 15.778 5.811 1.00 0.00 C ATOM 2010 CG ASP A 124 131.022 16.093 6.598 1.00 0.00 C ATOM 2011 OD1 ASP A 124 131.705 17.109 6.288 1.00 0.00 O ATOM 2012 OD2 ASP A 124 131.343 15.341 7.562 1.00 0.00 O ATOM 0 H ASP A 124 127.958 14.771 4.379 1.00 0.00 H new ATOM 0 HA ASP A 124 130.454 15.941 3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.174 16.695 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.129 15.095 6.393 1.00 0.00 H new ATOM 2017 N ILE A 125 130.408 12.843 4.802 1.00 0.00 N ATOM 2018 CA ILE A 125 131.105 11.576 4.859 1.00 0.00 C ATOM 2019 C ILE A 125 132.018 11.347 3.628 1.00 0.00 C ATOM 2020 O ILE A 125 133.247 11.230 3.777 1.00 0.00 O ATOM 2021 CB ILE A 125 130.067 10.419 5.056 1.00 0.00 C ATOM 2022 CG1 ILE A 125 129.714 10.266 6.550 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.469 9.100 4.392 1.00 0.00 C ATOM 2024 CD1 ILE A 125 128.654 9.226 6.849 1.00 0.00 C ATOM 0 H ILE A 125 129.406 12.751 4.971 1.00 0.00 H new ATOM 0 HA ILE A 125 131.777 11.589 5.717 1.00 0.00 H new ATOM 0 HB ILE A 125 129.161 10.709 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 125 130.620 10.009 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 125 129.375 11.230 6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.699 8.351 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.580 9.252 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 125 131.415 8.756 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 125 128.473 9.190 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 125 127.730 9.489 6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 125 128.995 8.249 6.506 1.00 0.00 H new ATOM 2036 N TYR A 126 131.454 11.335 2.431 1.00 0.00 N ATOM 2037 CA TYR A 126 132.269 11.094 1.248 1.00 0.00 C ATOM 2038 C TYR A 126 133.132 12.299 0.923 1.00 0.00 C ATOM 2039 O TYR A 126 134.282 12.155 0.511 1.00 0.00 O ATOM 2040 CB TYR A 126 131.430 10.667 0.043 1.00 0.00 C ATOM 2041 CG TYR A 126 132.241 10.399 -1.212 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.043 9.273 -1.320 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.217 11.284 -2.274 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.790 9.035 -2.452 1.00 0.00 C ATOM 2045 CE2 TYR A 126 132.959 11.059 -3.404 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.740 9.933 -3.494 1.00 0.00 C ATOM 2047 OH TYR A 126 134.492 9.716 -4.624 1.00 0.00 O ATOM 0 H TYR A 126 130.461 11.485 2.253 1.00 0.00 H new ATOM 0 HA TYR A 126 132.931 10.260 1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.873 9.767 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.697 11.445 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.082 8.570 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.602 12.169 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.409 8.153 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.930 11.765 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 126 135.054 8.924 -4.496 1.00 0.00 H new ATOM 2057 N LEU A 127 132.605 13.483 1.152 1.00 0.00 N ATOM 2058 CA LEU A 127 133.356 14.701 0.891 1.00 0.00 C ATOM 2059 C LEU A 127 134.541 14.841 1.861 1.00 0.00 C ATOM 2060 O LEU A 127 135.535 15.501 1.563 1.00 0.00 O ATOM 2061 CB LEU A 127 132.436 15.934 0.916 1.00 0.00 C ATOM 2062 CG LEU A 127 131.357 15.978 -0.175 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.487 17.212 -0.025 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.984 15.936 -1.561 1.00 0.00 C ATOM 0 H LEU A 127 131.664 13.632 1.517 1.00 0.00 H new ATOM 0 HA LEU A 127 133.774 14.634 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.946 15.980 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.054 16.828 0.828 1.00 0.00 H new ATOM 0 HG LEU A 127 130.727 15.097 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.730 17.221 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.999 17.197 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.106 18.106 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.199 15.968 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.645 16.793 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.558 15.016 -1.673 1.00 0.00 H new ATOM 2076 N ASP A 128 134.446 14.177 2.994 1.00 0.00 N ATOM 2077 CA ASP A 128 135.509 14.171 3.989 1.00 0.00 C ATOM 2078 C ASP A 128 136.591 13.200 3.560 1.00 0.00 C ATOM 2079 O ASP A 128 137.775 13.419 3.820 1.00 0.00 O ATOM 2080 CB ASP A 128 134.958 13.805 5.368 1.00 0.00 C ATOM 2081 CG ASP A 128 135.948 14.004 6.474 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.431 15.151 6.653 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.257 13.039 7.194 1.00 0.00 O ATOM 0 H ASP A 128 133.630 13.624 3.256 1.00 0.00 H new ATOM 0 HA ASP A 128 135.939 15.170 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.073 14.408 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.639 12.763 5.359 1.00 0.00 H new ATOM 2088 N LEU A 129 136.175 12.130 2.859 1.00 0.00 N ATOM 2089 CA LEU A 129 137.135 11.182 2.269 1.00 0.00 C ATOM 2090 C LEU A 129 137.865 11.909 1.140 1.00 0.00 C ATOM 2091 O LEU A 129 139.033 11.650 0.864 1.00 0.00 O ATOM 2092 CB LEU A 129 136.433 9.936 1.666 1.00 0.00 C ATOM 2093 CG LEU A 129 135.396 9.213 2.544 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.618 8.218 1.715 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.063 8.487 3.697 1.00 0.00 C ATOM 0 H LEU A 129 135.195 11.903 2.689 1.00 0.00 H new ATOM 0 HA LEU A 129 137.811 10.840 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.939 10.241 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.203 9.215 1.392 1.00 0.00 H new ATOM 0 HG LEU A 129 134.720 9.966 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.887 7.712 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.102 8.740 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.303 7.483 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.305 7.986 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.762 7.748 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.602 9.205 4.316 1.00 0.00 H new ATOM 2107 N MET A 130 137.136 12.828 0.496 1.00 0.00 N ATOM 2108 CA MET A 130 137.662 13.639 -0.603 1.00 0.00 C ATOM 2109 C MET A 130 138.758 14.563 -0.139 1.00 0.00 C ATOM 2110 O MET A 130 139.832 14.606 -0.762 1.00 0.00 O ATOM 2111 CB MET A 130 136.556 14.464 -1.302 1.00 0.00 C ATOM 2112 CG MET A 130 135.460 13.683 -2.057 1.00 0.00 C ATOM 2113 SD MET A 130 136.069 12.694 -3.440 1.00 0.00 S ATOM 2114 CE MET A 130 136.886 11.340 -2.599 1.00 0.00 C ATOM 0 H MET A 130 136.162 13.029 0.725 1.00 0.00 H new ATOM 0 HA MET A 130 138.075 12.934 -1.325 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.070 15.083 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.036 15.140 -2.009 1.00 0.00 H new ATOM 0 HG2 MET A 130 134.949 13.026 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.719 14.390 -2.430 1.00 0.00 H new ATOM 0 HE1 MET A 130 137.966 11.455 -2.688 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.606 11.344 -1.545 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.583 10.395 -3.051 1.00 0.00 H new