USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 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 -0:sc= 1.03 USER MOD Set 1.2: A 130 MET CE :methyl -170:sc= -3.37 (180deg=-3.63) USER MOD Set 2.1: A 40 ASN : amide:sc= 0.752 K(o=1.5,f=-1.2) USER MOD Set 2.2: A 80 ASN : amide:sc= 0.706 K(o=1.5,f=-1.2) USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.992 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 163:sc= 2.38 (180deg=1.07) USER MOD Set 4.1: A 67 TYR OH : rot 180:sc= -1.13 USER MOD Set 4.2: A 72 GLN : amide:sc= 0.986 K(o=-0.14,f=-2) USER MOD Set 5.1: A 29 THR OG1 : rot 136:sc= 1.67 USER MOD Set 5.2: A 33 LYS NZ :NH3+ -135:sc= 2.26 (180deg=0.53) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.262 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.16) USER MOD Single : A 20 SER OG : rot 94:sc= 1.23 USER MOD Single : A 21 HIS : +bothHN:sc= 0.578 K(o=0.58,f=-8.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 159:sc= 1.18 USER MOD Single : A 47 CYS SG : rot -20:sc= -1.67! USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 1.29 (180deg=0.0723) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 69:sc= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0381 (180deg=-0.23) USER MOD Single : A 57 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.1!) USER MOD Single : A 58 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.79) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.171 F(o=-1.7,f=0.17) USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= 0.15 (180deg=-0.0466) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc=-0.00204 (180deg=-0.105) USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.11) USER MOD Single : A 84 HIS : no HE2:sc= 0.863 K(o=0.86,f=-2.9!) USER MOD Single : A 85 THR OG1 : rot 56:sc= -0.133 USER MOD Single : A 90 THR OG1 : rot -8:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 92 SER OG : rot 82:sc= 0.803 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 100 SER OG : rot 86:sc= 0.578 USER MOD Single : A 105 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.2) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 151:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.345 K(o=0.34,f=-5.1!) USER MOD Single : A 112 MET CE :methyl -145:sc= -2.34 (180deg=-3.96) USER MOD Single : A 114 GLN : amide:sc= 0.0393 X(o=0.039,f=-0.39) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 0:sc= 1.24 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -84:sc= 0.981 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 140.495 6.481 4.128 1.00 0.00 N ATOM 32 CA VAL A 3 140.456 6.462 2.703 1.00 0.00 C ATOM 33 C VAL A 3 141.033 7.735 2.121 1.00 0.00 C ATOM 34 O VAL A 3 140.514 8.831 2.323 1.00 0.00 O ATOM 35 CB VAL A 3 139.045 6.132 2.138 1.00 0.00 C ATOM 36 CG1 VAL A 3 137.985 7.038 2.708 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.033 6.205 0.624 1.00 0.00 C ATOM 0 HA VAL A 3 141.095 5.640 2.380 1.00 0.00 H new ATOM 0 HB VAL A 3 138.813 5.111 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.015 6.773 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 3 137.953 6.924 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.218 8.073 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.034 5.970 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.309 7.210 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 3 139.747 5.487 0.219 1.00 0.00 H new ATOM 47 N SER A 4 142.150 7.573 1.475 1.00 0.00 N ATOM 48 CA SER A 4 142.835 8.629 0.799 1.00 0.00 C ATOM 49 C SER A 4 141.942 9.177 -0.331 1.00 0.00 C ATOM 50 O SER A 4 141.183 8.415 -0.929 1.00 0.00 O ATOM 51 CB SER A 4 144.107 8.020 0.240 1.00 0.00 C ATOM 52 OG SER A 4 144.788 7.279 1.256 1.00 0.00 O ATOM 0 H SER A 4 142.623 6.672 1.403 1.00 0.00 H new ATOM 0 HA SER A 4 143.068 9.460 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 4 143.868 7.366 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.757 8.806 -0.144 1.00 0.00 H new ATOM 0 HG SER A 4 145.606 6.889 0.884 1.00 0.00 H new ATOM 58 N PRO A 5 142.003 10.498 -0.620 1.00 0.00 N ATOM 59 CA PRO A 5 141.199 11.140 -1.677 1.00 0.00 C ATOM 60 C PRO A 5 141.284 10.419 -3.036 1.00 0.00 C ATOM 61 O PRO A 5 140.344 10.465 -3.838 1.00 0.00 O ATOM 62 CB PRO A 5 141.785 12.563 -1.784 1.00 0.00 C ATOM 63 CG PRO A 5 143.017 12.562 -0.936 1.00 0.00 C ATOM 64 CD PRO A 5 142.828 11.484 0.089 1.00 0.00 C ATOM 0 HA PRO A 5 140.139 11.119 -1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.023 12.811 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.070 13.308 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.904 12.371 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.160 13.531 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 5 143.780 11.059 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 5 142.330 11.859 0.983 1.00 0.00 H new ATOM 72 N GLU A 6 142.392 9.744 -3.295 1.00 0.00 N ATOM 73 CA GLU A 6 142.519 9.003 -4.547 1.00 0.00 C ATOM 74 C GLU A 6 141.709 7.725 -4.481 1.00 0.00 C ATOM 75 O GLU A 6 141.019 7.366 -5.422 1.00 0.00 O ATOM 76 CB GLU A 6 143.953 8.678 -4.867 1.00 0.00 C ATOM 77 CG GLU A 6 144.844 9.882 -4.976 1.00 0.00 C ATOM 78 CD GLU A 6 146.233 9.502 -5.347 1.00 0.00 C ATOM 79 OE1 GLU A 6 146.945 8.902 -4.523 1.00 0.00 O ATOM 80 OE2 GLU A 6 146.634 9.765 -6.500 1.00 0.00 O ATOM 0 H GLU A 6 143.200 9.691 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 6 142.136 9.642 -5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.346 8.017 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 6 143.989 8.126 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.442 10.567 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.853 10.416 -4.026 1.00 0.00 H new ATOM 87 N GLU A 7 141.754 7.076 -3.344 1.00 0.00 N ATOM 88 CA GLU A 7 141.012 5.851 -3.143 1.00 0.00 C ATOM 89 C GLU A 7 139.516 6.185 -3.155 1.00 0.00 C ATOM 90 O GLU A 7 138.691 5.435 -3.671 1.00 0.00 O ATOM 91 CB GLU A 7 141.407 5.217 -1.802 1.00 0.00 C ATOM 92 CG GLU A 7 140.730 3.889 -1.507 1.00 0.00 C ATOM 93 CD GLU A 7 141.243 2.759 -2.352 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.175 2.823 -3.573 1.00 0.00 O ATOM 95 OE2 GLU A 7 141.720 1.757 -1.781 1.00 0.00 O ATOM 0 H GLU A 7 142.300 7.376 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 7 141.237 5.139 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.487 5.070 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.170 5.917 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 7 140.874 3.641 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.657 3.993 -1.665 1.00 0.00 H new ATOM 102 N ALA A 8 139.192 7.348 -2.610 1.00 0.00 N ATOM 103 CA ALA A 8 137.838 7.817 -2.566 1.00 0.00 C ATOM 104 C ALA A 8 137.299 8.125 -3.982 1.00 0.00 C ATOM 105 O ALA A 8 136.167 7.747 -4.292 1.00 0.00 O ATOM 106 CB ALA A 8 137.686 8.989 -1.580 1.00 0.00 C ATOM 0 H ALA A 8 139.869 7.984 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 8 137.209 7.015 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 8 136.648 9.323 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 137.973 8.663 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.329 9.812 -1.892 1.00 0.00 H new ATOM 112 N VAL A 9 138.113 8.772 -4.874 1.00 0.00 N ATOM 113 CA VAL A 9 137.646 9.011 -6.273 1.00 0.00 C ATOM 114 C VAL A 9 137.376 7.698 -6.990 1.00 0.00 C ATOM 115 O VAL A 9 136.528 7.639 -7.882 1.00 0.00 O ATOM 116 CB VAL A 9 138.581 9.897 -7.191 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.775 11.291 -6.664 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.912 9.241 -7.473 1.00 0.00 C ATOM 0 H VAL A 9 139.048 9.120 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 9 136.735 9.592 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 9 138.048 9.982 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.426 11.848 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.809 11.792 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.231 11.246 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.512 9.894 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.437 9.064 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.749 8.291 -7.982 1.00 0.00 H new ATOM 128 N LYS A 10 138.086 6.645 -6.580 1.00 0.00 N ATOM 129 CA LYS A 10 137.897 5.321 -7.154 1.00 0.00 C ATOM 130 C LYS A 10 136.503 4.790 -6.831 1.00 0.00 C ATOM 131 O LYS A 10 135.886 4.103 -7.629 1.00 0.00 O ATOM 132 CB LYS A 10 138.963 4.352 -6.652 1.00 0.00 C ATOM 133 CG LYS A 10 140.380 4.797 -6.928 1.00 0.00 C ATOM 134 CD LYS A 10 140.611 5.019 -8.401 1.00 0.00 C ATOM 135 CE LYS A 10 141.991 5.573 -8.654 1.00 0.00 C ATOM 136 NZ LYS A 10 142.225 5.780 -10.091 1.00 0.00 N ATOM 0 H LYS A 10 138.798 6.689 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 10 137.995 5.406 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.839 4.217 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.802 3.379 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.586 5.718 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.077 4.045 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.489 4.078 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 10 139.862 5.708 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.109 6.518 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.740 4.888 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.182 6.162 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.135 4.873 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.524 6.452 -10.464 1.00 0.00 H new ATOM 150 N TRP A 11 135.992 5.154 -5.676 1.00 0.00 N ATOM 151 CA TRP A 11 134.645 4.757 -5.279 1.00 0.00 C ATOM 152 C TRP A 11 133.636 5.457 -6.147 1.00 0.00 C ATOM 153 O TRP A 11 132.555 4.941 -6.415 1.00 0.00 O ATOM 154 CB TRP A 11 134.370 5.129 -3.841 1.00 0.00 C ATOM 155 CG TRP A 11 135.244 4.458 -2.851 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.102 3.421 -3.060 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.310 4.766 -1.479 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.702 3.074 -1.891 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.227 3.885 -0.900 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.673 5.715 -0.676 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.522 3.915 0.439 1.00 0.00 C ATOM 162 CZ3 TRP A 11 134.968 5.738 0.665 1.00 0.00 C ATOM 163 CH2 TRP A 11 135.881 4.846 1.207 1.00 0.00 C ATOM 0 H TRP A 11 136.484 5.725 -4.989 1.00 0.00 H new ATOM 0 HA TRP A 11 134.568 3.676 -5.392 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.481 6.208 -3.731 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.332 4.890 -3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.279 2.945 -4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.392 2.332 -1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 11 133.966 6.413 -1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.235 3.228 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.483 6.460 1.305 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.091 4.888 2.265 1.00 0.00 H new ATOM 174 N GLY A 12 134.033 6.621 -6.627 1.00 0.00 N ATOM 175 CA GLY A 12 133.192 7.430 -7.462 1.00 0.00 C ATOM 176 C GLY A 12 133.049 6.859 -8.850 1.00 0.00 C ATOM 177 O GLY A 12 132.180 7.286 -9.608 1.00 0.00 O ATOM 0 H GLY A 12 134.951 7.025 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.207 7.519 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.606 8.436 -7.526 1.00 0.00 H new ATOM 181 N GLU A 13 133.890 5.894 -9.187 1.00 0.00 N ATOM 182 CA GLU A 13 133.807 5.271 -10.474 1.00 0.00 C ATOM 183 C GLU A 13 133.291 3.837 -10.386 1.00 0.00 C ATOM 184 O GLU A 13 133.055 3.197 -11.406 1.00 0.00 O ATOM 185 CB GLU A 13 135.131 5.422 -11.270 1.00 0.00 C ATOM 186 CG GLU A 13 136.410 4.815 -10.668 1.00 0.00 C ATOM 187 CD GLU A 13 136.592 3.341 -10.969 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.606 2.974 -12.157 1.00 0.00 O ATOM 189 OE2 GLU A 13 136.805 2.537 -10.047 1.00 0.00 O ATOM 0 H GLU A 13 134.629 5.535 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 13 133.056 5.805 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.982 4.977 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.308 6.486 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 13 137.273 5.362 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.393 4.955 -9.587 1.00 0.00 H new ATOM 196 N SER A 14 133.077 3.349 -9.169 1.00 0.00 N ATOM 197 CA SER A 14 132.554 2.017 -8.983 1.00 0.00 C ATOM 198 C SER A 14 131.885 1.835 -7.614 1.00 0.00 C ATOM 199 O SER A 14 132.564 1.773 -6.571 1.00 0.00 O ATOM 200 CB SER A 14 133.656 0.966 -9.177 1.00 0.00 C ATOM 201 OG SER A 14 133.168 -0.341 -8.908 1.00 0.00 O ATOM 0 H SER A 14 133.259 3.860 -8.305 1.00 0.00 H new ATOM 0 HA SER A 14 131.785 1.874 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.033 1.014 -10.199 1.00 0.00 H new ATOM 0 HB3 SER A 14 134.495 1.188 -8.517 1.00 0.00 H new ATOM 0 HG SER A 14 133.888 -0.993 -9.040 1.00 0.00 H new ATOM 207 N PHE A 15 130.553 1.720 -7.622 1.00 0.00 N ATOM 208 CA PHE A 15 129.778 1.446 -6.409 1.00 0.00 C ATOM 209 C PHE A 15 130.175 0.069 -5.849 1.00 0.00 C ATOM 210 O PHE A 15 130.116 -0.173 -4.640 1.00 0.00 O ATOM 211 CB PHE A 15 128.266 1.510 -6.722 1.00 0.00 C ATOM 212 CG PHE A 15 127.344 1.306 -5.537 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.440 2.109 -4.417 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.382 0.314 -5.553 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.597 1.927 -3.339 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.535 0.134 -4.475 1.00 0.00 C ATOM 217 CZ PHE A 15 125.645 0.942 -3.371 1.00 0.00 C ATOM 0 H PHE A 15 129.985 1.814 -8.464 1.00 0.00 H new ATOM 0 HA PHE A 15 129.995 2.201 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 15 128.046 2.480 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 15 128.036 0.754 -7.473 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.185 2.890 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.291 -0.328 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.688 2.561 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.786 -0.643 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 15 124.983 0.802 -2.529 1.00 0.00 H new ATOM 227 N ASP A 16 130.617 -0.806 -6.744 1.00 0.00 N ATOM 228 CA ASP A 16 131.108 -2.126 -6.370 1.00 0.00 C ATOM 229 C ASP A 16 132.386 -1.990 -5.567 1.00 0.00 C ATOM 230 O ASP A 16 132.548 -2.621 -4.525 1.00 0.00 O ATOM 231 CB ASP A 16 131.362 -2.993 -7.613 1.00 0.00 C ATOM 232 CG ASP A 16 132.039 -4.318 -7.286 1.00 0.00 C ATOM 233 OD1 ASP A 16 131.370 -5.238 -6.781 1.00 0.00 O ATOM 234 OD2 ASP A 16 133.252 -4.459 -7.520 1.00 0.00 O ATOM 0 H ASP A 16 130.645 -0.621 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 16 130.346 -2.615 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.413 -3.190 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.983 -2.438 -8.316 1.00 0.00 H new ATOM 239 N LYS A 17 133.261 -1.106 -6.019 1.00 0.00 N ATOM 240 CA LYS A 17 134.547 -0.876 -5.377 1.00 0.00 C ATOM 241 C LYS A 17 134.353 -0.315 -3.989 1.00 0.00 C ATOM 242 O LYS A 17 135.009 -0.735 -3.038 1.00 0.00 O ATOM 243 CB LYS A 17 135.379 0.060 -6.235 1.00 0.00 C ATOM 244 CG LYS A 17 136.657 0.544 -5.603 1.00 0.00 C ATOM 245 CD LYS A 17 137.507 1.261 -6.627 1.00 0.00 C ATOM 246 CE LYS A 17 137.937 0.325 -7.752 1.00 0.00 C ATOM 247 NZ LYS A 17 138.644 1.035 -8.828 1.00 0.00 N ATOM 0 H LYS A 17 133.100 -0.526 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 17 135.077 -1.824 -5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.624 -0.449 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.770 0.926 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.430 1.215 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.209 -0.300 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.947 2.099 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.390 1.677 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.584 -0.453 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.059 -0.172 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.990 0.348 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.993 1.702 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.449 1.558 -8.428 1.00 0.00 H new ATOM 261 N LEU A 18 133.422 0.597 -3.893 1.00 0.00 N ATOM 262 CA LEU A 18 133.015 1.218 -2.650 1.00 0.00 C ATOM 263 C LEU A 18 132.638 0.147 -1.617 1.00 0.00 C ATOM 264 O LEU A 18 133.151 0.124 -0.504 1.00 0.00 O ATOM 265 CB LEU A 18 131.814 2.101 -2.969 1.00 0.00 C ATOM 266 CG LEU A 18 131.080 2.757 -1.818 1.00 0.00 C ATOM 267 CD1 LEU A 18 131.981 3.682 -1.056 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.911 3.506 -2.364 1.00 0.00 C ATOM 0 H LEU A 18 132.906 0.943 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 18 133.826 1.808 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.151 2.890 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.094 1.497 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 18 130.741 1.987 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.425 4.138 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.824 3.120 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.349 4.462 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.372 3.985 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.260 4.266 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.246 2.815 -2.882 1.00 0.00 H new ATOM 280 N LEU A 19 131.798 -0.763 -2.038 1.00 0.00 N ATOM 281 CA LEU A 19 131.296 -1.843 -1.200 1.00 0.00 C ATOM 282 C LEU A 19 132.310 -2.977 -1.012 1.00 0.00 C ATOM 283 O LEU A 19 132.099 -3.888 -0.206 1.00 0.00 O ATOM 284 CB LEU A 19 129.992 -2.364 -1.783 1.00 0.00 C ATOM 285 CG LEU A 19 128.677 -1.678 -1.343 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.875 -0.243 -0.855 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.721 -1.685 -2.509 1.00 0.00 C ATOM 0 H LEU A 19 131.431 -0.782 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 19 131.119 -1.437 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 19 130.059 -2.293 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.915 -3.423 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 19 128.281 -2.240 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.913 0.178 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 19 129.548 -0.240 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 19 129.305 0.358 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.787 -1.205 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 19 128.162 -1.142 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.521 -2.714 -2.810 1.00 0.00 H new ATOM 299 N SER A 20 133.393 -2.931 -1.749 1.00 0.00 N ATOM 300 CA SER A 20 134.447 -3.909 -1.599 1.00 0.00 C ATOM 301 C SER A 20 135.527 -3.367 -0.673 1.00 0.00 C ATOM 302 O SER A 20 136.494 -4.051 -0.352 1.00 0.00 O ATOM 303 CB SER A 20 135.036 -4.257 -2.952 1.00 0.00 C ATOM 304 OG SER A 20 134.010 -4.680 -3.850 1.00 0.00 O ATOM 0 H SER A 20 133.570 -2.224 -2.462 1.00 0.00 H new ATOM 0 HA SER A 20 134.030 -4.816 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 20 135.553 -3.390 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 20 135.778 -5.048 -2.840 1.00 0.00 H new ATOM 0 HG SER A 20 133.703 -3.915 -4.380 1.00 0.00 H new ATOM 310 N HIS A 21 135.363 -2.137 -0.258 1.00 0.00 N ATOM 311 CA HIS A 21 136.295 -1.500 0.628 1.00 0.00 C ATOM 312 C HIS A 21 135.593 -1.383 1.955 1.00 0.00 C ATOM 313 O HIS A 21 134.516 -0.832 2.005 1.00 0.00 O ATOM 314 CB HIS A 21 136.638 -0.103 0.095 1.00 0.00 C ATOM 315 CG HIS A 21 138.075 0.284 0.255 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.538 1.216 1.150 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.155 -0.116 -0.438 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.825 1.363 1.001 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.229 0.568 0.046 1.00 0.00 N ATOM 0 H HIS A 21 134.575 -1.549 -0.528 1.00 0.00 H new ATOM 0 HA HIS A 21 137.222 -2.066 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.377 -0.057 -0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 21 136.017 0.631 0.609 1.00 0.00 H new ATOM 0 HD1 HIS A 21 137.963 1.717 1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.169 -0.846 -1.233 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.453 2.031 1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.190 0.475 -0.283 1.00 0.00 H new ATOM 328 N ARG A 22 136.166 -1.910 3.004 1.00 0.00 N ATOM 329 CA ARG A 22 135.526 -1.903 4.331 1.00 0.00 C ATOM 330 C ARG A 22 135.191 -0.488 4.815 1.00 0.00 C ATOM 331 O ARG A 22 134.092 -0.241 5.308 1.00 0.00 O ATOM 332 CB ARG A 22 136.366 -2.645 5.359 1.00 0.00 C ATOM 333 CG ARG A 22 136.599 -4.106 5.019 1.00 0.00 C ATOM 334 CD ARG A 22 137.290 -4.832 6.154 1.00 0.00 C ATOM 335 NE ARG A 22 136.457 -4.866 7.367 1.00 0.00 N ATOM 336 CZ ARG A 22 136.838 -5.354 8.550 1.00 0.00 C ATOM 337 NH1 ARG A 22 138.092 -5.780 8.734 1.00 0.00 N ATOM 338 NH2 ARG A 22 135.970 -5.396 9.558 1.00 0.00 N ATOM 0 H ARG A 22 137.082 -2.358 2.984 1.00 0.00 H new ATOM 0 HA ARG A 22 134.580 -2.433 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.330 -2.146 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.875 -2.581 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.645 -4.588 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 22 137.205 -4.179 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.524 -5.851 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 22 138.237 -4.341 6.377 1.00 0.00 H new ATOM 0 HE ARG A 22 135.513 -4.486 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 22 138.764 -5.733 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 22 138.377 -6.152 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 22 135.017 -5.056 9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 22 136.257 -5.768 10.463 1.00 0.00 H new ATOM 352 N ASP A 23 136.112 0.443 4.640 1.00 0.00 N ATOM 353 CA ASP A 23 135.853 1.855 5.007 1.00 0.00 C ATOM 354 C ASP A 23 134.920 2.534 4.006 1.00 0.00 C ATOM 355 O ASP A 23 134.342 3.572 4.296 1.00 0.00 O ATOM 356 CB ASP A 23 137.146 2.694 5.228 1.00 0.00 C ATOM 357 CG ASP A 23 138.140 2.589 4.110 1.00 0.00 C ATOM 358 OD1 ASP A 23 137.796 2.877 2.980 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.288 2.128 4.349 1.00 0.00 O ATOM 0 H ASP A 23 137.039 0.267 4.253 1.00 0.00 H new ATOM 0 HA ASP A 23 135.352 1.816 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 136.870 3.740 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.622 2.372 6.155 1.00 0.00 H new ATOM 364 N GLY A 24 134.738 1.916 2.854 1.00 0.00 N ATOM 365 CA GLY A 24 133.839 2.452 1.849 1.00 0.00 C ATOM 366 C GLY A 24 132.458 1.981 2.081 1.00 0.00 C ATOM 367 O GLY A 24 131.503 2.751 2.026 1.00 0.00 O ATOM 0 H GLY A 24 135.199 1.045 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.866 3.541 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.171 2.147 0.857 1.00 0.00 H new ATOM 371 N LEU A 25 132.357 0.711 2.361 1.00 0.00 N ATOM 372 CA LEU A 25 131.144 0.087 2.771 1.00 0.00 C ATOM 373 C LEU A 25 130.622 0.796 4.004 1.00 0.00 C ATOM 374 O LEU A 25 129.440 1.049 4.128 1.00 0.00 O ATOM 375 CB LEU A 25 131.413 -1.433 2.982 1.00 0.00 C ATOM 376 CG LEU A 25 130.668 -2.185 4.097 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.611 -3.662 3.746 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.429 -2.039 5.427 1.00 0.00 C ATOM 0 H LEU A 25 133.146 0.067 2.306 1.00 0.00 H new ATOM 0 HA LEU A 25 130.365 0.167 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.190 -1.938 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.481 -1.554 3.163 1.00 0.00 H new ATOM 0 HG LEU A 25 129.664 -1.771 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.084 -4.203 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 130.084 -3.791 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.624 -4.053 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.895 -2.574 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.431 -2.455 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.501 -0.984 5.691 1.00 0.00 H new ATOM 390 N GLU A 26 131.550 1.185 4.856 1.00 0.00 N ATOM 391 CA GLU A 26 131.258 1.904 6.057 1.00 0.00 C ATOM 392 C GLU A 26 130.875 3.349 5.729 1.00 0.00 C ATOM 393 O GLU A 26 129.978 3.899 6.351 1.00 0.00 O ATOM 394 CB GLU A 26 132.460 1.844 6.972 1.00 0.00 C ATOM 395 CG GLU A 26 132.261 2.425 8.367 1.00 0.00 C ATOM 396 CD GLU A 26 131.235 1.673 9.177 1.00 0.00 C ATOM 397 OE1 GLU A 26 131.309 0.424 9.233 1.00 0.00 O ATOM 398 OE2 GLU A 26 130.376 2.317 9.827 1.00 0.00 O ATOM 0 H GLU A 26 132.544 1.001 4.720 1.00 0.00 H new ATOM 0 HA GLU A 26 130.409 1.449 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.765 0.802 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.284 2.372 6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.213 2.416 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 26 131.955 3.467 8.280 1.00 0.00 H new ATOM 405 N ALA A 27 131.525 3.947 4.723 1.00 0.00 N ATOM 406 CA ALA A 27 131.195 5.314 4.331 1.00 0.00 C ATOM 407 C ALA A 27 129.777 5.364 3.778 1.00 0.00 C ATOM 408 O ALA A 27 128.975 6.228 4.152 1.00 0.00 O ATOM 409 CB ALA A 27 132.196 5.869 3.308 1.00 0.00 C ATOM 0 H ALA A 27 132.269 3.512 4.177 1.00 0.00 H new ATOM 0 HA ALA A 27 131.257 5.945 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.916 6.888 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.196 5.869 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.187 5.245 2.415 1.00 0.00 H new ATOM 415 N PHE A 28 129.453 4.408 2.926 1.00 0.00 N ATOM 416 CA PHE A 28 128.137 4.360 2.341 1.00 0.00 C ATOM 417 C PHE A 28 127.111 3.946 3.381 1.00 0.00 C ATOM 418 O PHE A 28 126.031 4.534 3.447 1.00 0.00 O ATOM 419 CB PHE A 28 128.077 3.428 1.121 1.00 0.00 C ATOM 420 CG PHE A 28 126.777 3.530 0.360 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.584 4.545 -0.557 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.748 2.629 0.572 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.398 4.658 -1.247 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.558 2.738 -0.114 1.00 0.00 C ATOM 425 CZ PHE A 28 124.384 3.755 -1.025 1.00 0.00 C ATOM 0 H PHE A 28 130.082 3.662 2.629 1.00 0.00 H new ATOM 0 HA PHE A 28 127.901 5.364 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.903 3.664 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.218 2.399 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.374 5.259 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.880 1.829 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.264 5.456 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.764 2.027 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.453 3.844 -1.565 1.00 0.00 H new ATOM 435 N THR A 29 127.446 2.961 4.221 1.00 0.00 N ATOM 436 CA THR A 29 126.502 2.525 5.210 1.00 0.00 C ATOM 437 C THR A 29 126.233 3.622 6.227 1.00 0.00 C ATOM 438 O THR A 29 125.116 3.821 6.570 1.00 0.00 O ATOM 439 CB THR A 29 126.832 1.157 5.918 1.00 0.00 C ATOM 440 OG1 THR A 29 125.681 0.722 6.665 1.00 0.00 O ATOM 441 CG2 THR A 29 127.994 1.288 6.898 1.00 0.00 C ATOM 0 H THR A 29 128.342 2.473 4.225 1.00 0.00 H new ATOM 0 HA THR A 29 125.593 2.318 4.645 1.00 0.00 H new ATOM 0 HB THR A 29 127.103 0.444 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 29 125.533 -0.235 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.188 0.322 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 29 128.885 1.619 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.741 2.017 7.667 1.00 0.00 H new ATOM 449 N ARG A 30 127.248 4.399 6.651 1.00 0.00 N ATOM 450 CA ARG A 30 126.991 5.460 7.634 1.00 0.00 C ATOM 451 C ARG A 30 126.052 6.517 7.053 1.00 0.00 C ATOM 452 O ARG A 30 125.184 7.051 7.753 1.00 0.00 O ATOM 453 CB ARG A 30 128.275 6.101 8.180 1.00 0.00 C ATOM 454 CG ARG A 30 129.107 6.881 7.185 1.00 0.00 C ATOM 455 CD ARG A 30 130.261 7.586 7.867 1.00 0.00 C ATOM 456 NE ARG A 30 129.791 8.540 8.891 1.00 0.00 N ATOM 457 CZ ARG A 30 130.325 9.748 9.127 1.00 0.00 C ATOM 458 NH1 ARG A 30 131.388 10.164 8.431 1.00 0.00 N ATOM 459 NH2 ARG A 30 129.784 10.537 10.048 1.00 0.00 N ATOM 0 H ARG A 30 128.216 4.316 6.341 1.00 0.00 H new ATOM 0 HA ARG A 30 126.504 4.985 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.004 6.769 8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.898 5.313 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.491 6.206 6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 30 128.479 7.613 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 30 130.915 6.848 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.855 8.115 7.122 1.00 0.00 H new ATOM 0 HE ARG A 30 128.996 8.258 9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 30 131.797 9.562 7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 30 131.790 11.083 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 30 128.967 10.224 10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 30 130.186 11.456 10.232 1.00 0.00 H new ATOM 473 N PHE A 31 126.199 6.761 5.760 1.00 0.00 N ATOM 474 CA PHE A 31 125.341 7.671 5.032 1.00 0.00 C ATOM 475 C PHE A 31 123.913 7.106 4.972 1.00 0.00 C ATOM 476 O PHE A 31 122.922 7.835 5.068 1.00 0.00 O ATOM 477 CB PHE A 31 125.913 7.871 3.616 1.00 0.00 C ATOM 478 CG PHE A 31 125.071 8.712 2.714 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.044 10.083 2.854 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.299 8.127 1.724 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.265 10.857 2.028 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.518 8.896 0.897 1.00 0.00 C ATOM 483 CZ PHE A 31 123.504 10.264 1.049 1.00 0.00 C ATOM 0 H PHE A 31 126.923 6.328 5.186 1.00 0.00 H new ATOM 0 HA PHE A 31 125.302 8.635 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.899 8.327 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.052 6.894 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.641 10.554 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.311 7.054 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.251 11.930 2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.917 8.429 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.894 10.872 0.398 1.00 0.00 H new ATOM 493 N LEU A 32 123.832 5.812 4.857 1.00 0.00 N ATOM 494 CA LEU A 32 122.578 5.108 4.755 1.00 0.00 C ATOM 495 C LEU A 32 121.943 4.947 6.160 1.00 0.00 C ATOM 496 O LEU A 32 120.723 4.989 6.318 1.00 0.00 O ATOM 497 CB LEU A 32 122.853 3.743 4.117 1.00 0.00 C ATOM 498 CG LEU A 32 121.710 3.074 3.377 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.203 3.977 2.258 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.193 1.757 2.801 1.00 0.00 C ATOM 0 H LEU A 32 124.649 5.201 4.831 1.00 0.00 H new ATOM 0 HA LEU A 32 121.874 5.666 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.683 3.858 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.188 3.066 4.903 1.00 0.00 H new ATOM 0 HG LEU A 32 120.890 2.891 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.383 3.484 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 120.850 4.918 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.013 4.176 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.376 1.271 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.017 1.942 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.534 1.110 3.609 1.00 0.00 H new ATOM 512 N LYS A 33 122.782 4.790 7.176 1.00 0.00 N ATOM 513 CA LYS A 33 122.330 4.647 8.558 1.00 0.00 C ATOM 514 C LYS A 33 121.780 5.960 9.071 1.00 0.00 C ATOM 515 O LYS A 33 120.770 5.985 9.758 1.00 0.00 O ATOM 516 CB LYS A 33 123.458 4.160 9.511 1.00 0.00 C ATOM 517 CG LYS A 33 124.097 2.824 9.143 1.00 0.00 C ATOM 518 CD LYS A 33 125.033 2.321 10.228 1.00 0.00 C ATOM 519 CE LYS A 33 125.796 1.050 9.812 1.00 0.00 C ATOM 520 NZ LYS A 33 124.921 -0.049 9.319 1.00 0.00 N ATOM 0 H LYS A 33 123.796 4.758 7.067 1.00 0.00 H new ATOM 0 HA LYS A 33 121.548 3.887 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.238 4.920 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.050 4.083 10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.315 2.085 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.649 2.932 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.749 3.105 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.459 2.116 11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.512 1.308 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.370 0.688 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.219 -0.949 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 123.934 0.149 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 124.998 -0.116 8.284 1.00 0.00 H new ATOM 534 N THR A 34 122.420 7.061 8.702 1.00 0.00 N ATOM 535 CA THR A 34 122.009 8.375 9.178 1.00 0.00 C ATOM 536 C THR A 34 120.597 8.750 8.632 1.00 0.00 C ATOM 537 O THR A 34 119.894 9.591 9.202 1.00 0.00 O ATOM 538 CB THR A 34 123.096 9.477 8.855 1.00 0.00 C ATOM 539 OG1 THR A 34 122.903 10.651 9.661 1.00 0.00 O ATOM 540 CG2 THR A 34 123.076 9.892 7.392 1.00 0.00 C ATOM 0 H THR A 34 123.225 7.071 8.075 1.00 0.00 H new ATOM 0 HA THR A 34 121.930 8.331 10.264 1.00 0.00 H new ATOM 0 HB THR A 34 124.061 9.023 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.590 11.315 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.840 10.650 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.278 9.024 6.765 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.096 10.300 7.143 1.00 0.00 H new ATOM 548 N GLU A 35 120.174 8.087 7.552 1.00 0.00 N ATOM 549 CA GLU A 35 118.842 8.306 7.011 1.00 0.00 C ATOM 550 C GLU A 35 117.910 7.147 7.364 1.00 0.00 C ATOM 551 O GLU A 35 116.749 7.132 6.952 1.00 0.00 O ATOM 552 CB GLU A 35 118.867 8.517 5.503 1.00 0.00 C ATOM 553 CG GLU A 35 119.447 7.367 4.716 1.00 0.00 C ATOM 554 CD GLU A 35 119.274 7.561 3.249 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.003 8.364 2.667 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.375 6.919 2.656 1.00 0.00 O ATOM 0 H GLU A 35 120.733 7.402 7.044 1.00 0.00 H new ATOM 0 HA GLU A 35 118.460 9.218 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.849 8.699 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.443 9.416 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.507 7.266 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 35 118.964 6.438 5.020 1.00 0.00 H new ATOM 563 N PHE A 36 118.428 6.200 8.150 1.00 0.00 N ATOM 564 CA PHE A 36 117.683 5.023 8.616 1.00 0.00 C ATOM 565 C PHE A 36 117.273 4.103 7.457 1.00 0.00 C ATOM 566 O PHE A 36 116.204 3.489 7.483 1.00 0.00 O ATOM 567 CB PHE A 36 116.451 5.435 9.461 1.00 0.00 C ATOM 568 CG PHE A 36 116.789 6.191 10.722 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.028 5.515 11.905 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.865 7.577 10.721 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.339 6.203 13.062 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.177 8.270 11.874 1.00 0.00 C ATOM 573 CZ PHE A 36 117.414 7.581 13.047 1.00 0.00 C ATOM 0 H PHE A 36 119.390 6.228 8.487 1.00 0.00 H new ATOM 0 HA PHE A 36 118.357 4.454 9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.793 6.051 8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.891 4.538 9.728 1.00 0.00 H new ATOM 0 HD1 PHE A 36 116.971 4.437 11.924 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.678 8.120 9.807 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.523 5.662 13.979 1.00 0.00 H new ATOM 0 HE2 PHE A 36 117.236 9.348 11.858 1.00 0.00 H new ATOM 0 HZ PHE A 36 117.658 8.119 13.951 1.00 0.00 H new ATOM 583 N SER A 37 118.136 3.967 6.478 1.00 0.00 N ATOM 584 CA SER A 37 117.864 3.098 5.347 1.00 0.00 C ATOM 585 C SER A 37 118.925 1.983 5.278 1.00 0.00 C ATOM 586 O SER A 37 119.018 1.250 4.280 1.00 0.00 O ATOM 587 CB SER A 37 117.900 3.922 4.056 1.00 0.00 C ATOM 588 OG SER A 37 117.078 5.084 4.150 1.00 0.00 O ATOM 0 H SER A 37 119.036 4.446 6.438 1.00 0.00 H new ATOM 0 HA SER A 37 116.879 2.646 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.927 4.219 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.566 3.306 3.221 1.00 0.00 H new ATOM 0 HG SER A 37 117.369 5.745 3.488 1.00 0.00 H new ATOM 594 N GLU A 38 119.677 1.818 6.379 1.00 0.00 N ATOM 595 CA GLU A 38 120.838 0.906 6.423 1.00 0.00 C ATOM 596 C GLU A 38 120.465 -0.555 6.153 1.00 0.00 C ATOM 597 O GLU A 38 121.293 -1.329 5.673 1.00 0.00 O ATOM 598 CB GLU A 38 121.606 1.024 7.749 1.00 0.00 C ATOM 599 CG GLU A 38 120.831 0.603 8.992 1.00 0.00 C ATOM 600 CD GLU A 38 121.639 0.707 10.272 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.551 -0.129 10.496 1.00 0.00 O ATOM 602 OE2 GLU A 38 121.376 1.615 11.092 1.00 0.00 O ATOM 0 H GLU A 38 119.502 2.307 7.257 1.00 0.00 H new ATOM 0 HA GLU A 38 121.492 1.226 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.509 0.417 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.926 2.059 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 38 119.940 1.224 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 38 120.492 -0.425 8.868 1.00 0.00 H new ATOM 609 N GLU A 39 119.207 -0.916 6.412 1.00 0.00 N ATOM 610 CA GLU A 39 118.746 -2.286 6.214 1.00 0.00 C ATOM 611 C GLU A 39 118.900 -2.783 4.786 1.00 0.00 C ATOM 612 O GLU A 39 118.878 -3.960 4.577 1.00 0.00 O ATOM 613 CB GLU A 39 117.300 -2.532 6.666 1.00 0.00 C ATOM 614 CG GLU A 39 117.052 -2.456 8.159 1.00 0.00 C ATOM 615 CD GLU A 39 116.895 -1.064 8.672 1.00 0.00 C ATOM 616 OE1 GLU A 39 117.885 -0.437 9.027 1.00 0.00 O ATOM 617 OE2 GLU A 39 115.741 -0.586 8.743 1.00 0.00 O ATOM 0 H GLU A 39 118.492 -0.277 6.759 1.00 0.00 H new ATOM 0 HA GLU A 39 119.411 -2.859 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.657 -1.804 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.993 -3.517 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.154 -3.025 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 39 117.881 -2.934 8.681 1.00 0.00 H new ATOM 624 N ASN A 40 119.060 -1.891 3.823 1.00 0.00 N ATOM 625 CA ASN A 40 119.195 -2.311 2.424 1.00 0.00 C ATOM 626 C ASN A 40 120.625 -2.785 2.096 1.00 0.00 C ATOM 627 O ASN A 40 120.834 -3.864 1.473 1.00 0.00 O ATOM 628 CB ASN A 40 118.725 -1.213 1.449 1.00 0.00 C ATOM 629 CG ASN A 40 117.209 -0.990 1.471 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.424 -1.908 1.755 1.00 0.00 O ATOM 631 ND2 ASN A 40 116.784 0.214 1.173 1.00 0.00 N ATOM 0 H ASN A 40 119.100 -0.883 3.973 1.00 0.00 H new ATOM 0 HA ASN A 40 118.536 -3.169 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.226 -0.278 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.031 -1.480 0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 40 115.784 0.416 1.171 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.453 0.949 0.944 1.00 0.00 H new ATOM 638 N ILE A 41 121.613 -2.046 2.555 1.00 0.00 N ATOM 639 CA ILE A 41 122.989 -2.421 2.277 1.00 0.00 C ATOM 640 C ILE A 41 123.319 -3.674 3.085 1.00 0.00 C ATOM 641 O ILE A 41 123.914 -4.630 2.584 1.00 0.00 O ATOM 642 CB ILE A 41 123.988 -1.254 2.576 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.367 -1.519 1.939 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.100 -0.946 4.080 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.339 -0.369 2.092 1.00 0.00 C ATOM 0 H ILE A 41 121.497 -1.199 3.111 1.00 0.00 H new ATOM 0 HA ILE A 41 123.097 -2.635 1.214 1.00 0.00 H new ATOM 0 HB ILE A 41 123.577 -0.358 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.800 -2.412 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.233 -1.731 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.805 -0.129 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.122 -0.658 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.452 -1.832 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.287 -0.628 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.928 0.521 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.504 -0.170 3.151 1.00 0.00 H new ATOM 657 N GLU A 42 122.812 -3.695 4.299 1.00 0.00 N ATOM 658 CA GLU A 42 122.964 -4.798 5.190 1.00 0.00 C ATOM 659 C GLU A 42 122.080 -5.981 4.759 1.00 0.00 C ATOM 660 O GLU A 42 122.340 -7.129 5.136 1.00 0.00 O ATOM 661 CB GLU A 42 122.653 -4.352 6.607 1.00 0.00 C ATOM 662 CG GLU A 42 123.835 -3.779 7.413 1.00 0.00 C ATOM 663 CD GLU A 42 124.660 -2.685 6.815 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.345 -1.510 7.057 1.00 0.00 O ATOM 665 OE2 GLU A 42 125.699 -2.975 6.201 1.00 0.00 O ATOM 0 H GLU A 42 122.273 -2.923 4.691 1.00 0.00 H new ATOM 0 HA GLU A 42 123.997 -5.146 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.869 -3.596 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.246 -5.203 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 42 123.440 -3.412 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.505 -4.606 7.646 1.00 0.00 H new ATOM 672 N PHE A 43 121.053 -5.685 3.956 1.00 0.00 N ATOM 673 CA PHE A 43 120.154 -6.688 3.363 1.00 0.00 C ATOM 674 C PHE A 43 120.952 -7.644 2.541 1.00 0.00 C ATOM 675 O PHE A 43 120.960 -8.861 2.795 1.00 0.00 O ATOM 676 CB PHE A 43 119.097 -5.998 2.474 1.00 0.00 C ATOM 677 CG PHE A 43 118.297 -6.873 1.561 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.118 -7.414 1.974 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.727 -7.118 0.259 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.371 -8.188 1.128 1.00 0.00 C ATOM 681 CE2 PHE A 43 117.989 -7.896 -0.591 1.00 0.00 C ATOM 682 CZ PHE A 43 116.809 -8.432 -0.158 1.00 0.00 C ATOM 0 H PHE A 43 120.817 -4.728 3.694 1.00 0.00 H new ATOM 0 HA PHE A 43 119.645 -7.227 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.404 -5.465 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.604 -5.249 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.769 -7.231 2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.656 -6.688 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.436 -8.609 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.336 -8.085 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.219 -9.047 -0.822 1.00 0.00 H new ATOM 692 N TRP A 44 121.655 -7.126 1.552 1.00 0.00 N ATOM 693 CA TRP A 44 122.422 -8.048 0.771 1.00 0.00 C ATOM 694 C TRP A 44 123.665 -8.525 1.467 1.00 0.00 C ATOM 695 O TRP A 44 124.189 -9.554 1.123 1.00 0.00 O ATOM 696 CB TRP A 44 122.618 -7.706 -0.701 1.00 0.00 C ATOM 697 CG TRP A 44 123.156 -6.372 -1.027 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.519 -5.418 -1.736 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.438 -5.840 -0.694 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.315 -4.334 -1.879 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.495 -4.560 -1.232 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.540 -6.319 0.014 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.599 -3.755 -1.092 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.637 -5.514 0.155 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.659 -4.246 -0.390 1.00 0.00 C ATOM 0 H TRP A 44 121.707 -6.142 1.290 1.00 0.00 H new ATOM 0 HA TRP A 44 121.763 -8.913 0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.285 -8.452 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.655 -7.811 -1.201 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.518 -5.507 -2.132 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.072 -3.484 -2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.527 -7.310 0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.626 -2.766 -1.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.497 -5.875 0.700 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.536 -3.629 -0.257 1.00 0.00 H new ATOM 716 N ILE A 45 124.114 -7.790 2.477 1.00 0.00 N ATOM 717 CA ILE A 45 125.205 -8.258 3.323 1.00 0.00 C ATOM 718 C ILE A 45 124.780 -9.542 4.038 1.00 0.00 C ATOM 719 O ILE A 45 125.581 -10.463 4.228 1.00 0.00 O ATOM 720 CB ILE A 45 125.690 -7.152 4.316 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.567 -6.144 3.555 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.413 -7.718 5.539 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.132 -5.027 4.393 1.00 0.00 C ATOM 0 H ILE A 45 123.743 -6.874 2.729 1.00 0.00 H new ATOM 0 HA ILE A 45 126.066 -8.486 2.695 1.00 0.00 H new ATOM 0 HB ILE A 45 124.810 -6.645 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.393 -6.683 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.977 -5.709 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.724 -6.900 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.741 -8.380 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 127.290 -8.279 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.735 -4.371 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.316 -4.456 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.754 -5.445 5.184 1.00 0.00 H new ATOM 735 N ALA A 46 123.492 -9.618 4.370 1.00 0.00 N ATOM 736 CA ALA A 46 122.924 -10.817 4.944 1.00 0.00 C ATOM 737 C ALA A 46 122.989 -11.938 3.918 1.00 0.00 C ATOM 738 O ALA A 46 123.339 -13.051 4.246 1.00 0.00 O ATOM 739 CB ALA A 46 121.477 -10.590 5.398 1.00 0.00 C ATOM 0 H ALA A 46 122.827 -8.855 4.247 1.00 0.00 H new ATOM 0 HA ALA A 46 123.502 -11.091 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 46 121.081 -11.511 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.451 -9.801 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.869 -10.295 4.542 1.00 0.00 H new ATOM 745 N CYS A 47 122.684 -11.610 2.663 1.00 0.00 N ATOM 746 CA CYS A 47 122.722 -12.589 1.572 1.00 0.00 C ATOM 747 C CYS A 47 124.165 -13.007 1.213 1.00 0.00 C ATOM 748 O CYS A 47 124.402 -14.150 0.838 1.00 0.00 O ATOM 749 CB CYS A 47 121.991 -12.071 0.322 1.00 0.00 C ATOM 750 SG CYS A 47 121.978 -13.239 -1.070 1.00 0.00 S ATOM 0 H CYS A 47 122.407 -10.672 2.374 1.00 0.00 H new ATOM 0 HA CYS A 47 122.200 -13.474 1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 47 120.962 -11.831 0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.461 -11.142 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 47 122.935 -14.106 -0.918 1.00 0.00 H new ATOM 756 N GLU A 48 125.109 -12.094 1.315 1.00 0.00 N ATOM 757 CA GLU A 48 126.508 -12.404 1.023 1.00 0.00 C ATOM 758 C GLU A 48 127.084 -13.304 2.120 1.00 0.00 C ATOM 759 O GLU A 48 127.792 -14.276 1.844 1.00 0.00 O ATOM 760 CB GLU A 48 127.330 -11.126 0.877 1.00 0.00 C ATOM 761 CG GLU A 48 126.848 -10.193 -0.231 1.00 0.00 C ATOM 762 CD GLU A 48 127.019 -10.772 -1.610 1.00 0.00 C ATOM 763 OE1 GLU A 48 126.149 -11.522 -2.091 1.00 0.00 O ATOM 764 OE2 GLU A 48 128.052 -10.496 -2.241 1.00 0.00 O ATOM 0 H GLU A 48 124.941 -11.128 1.598 1.00 0.00 H new ATOM 0 HA GLU A 48 126.557 -12.938 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.312 -10.586 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.368 -11.396 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 125.795 -9.961 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.395 -9.252 -0.169 1.00 0.00 H new ATOM 771 N ASP A 49 126.752 -12.991 3.360 1.00 0.00 N ATOM 772 CA ASP A 49 127.119 -13.847 4.490 1.00 0.00 C ATOM 773 C ASP A 49 126.455 -15.204 4.336 1.00 0.00 C ATOM 774 O ASP A 49 127.029 -16.247 4.630 1.00 0.00 O ATOM 775 CB ASP A 49 126.694 -13.207 5.816 1.00 0.00 C ATOM 776 CG ASP A 49 126.712 -14.185 6.974 1.00 0.00 C ATOM 777 OD1 ASP A 49 127.792 -14.650 7.377 1.00 0.00 O ATOM 778 OD2 ASP A 49 125.630 -14.525 7.489 1.00 0.00 O ATOM 0 H ASP A 49 126.230 -12.153 3.617 1.00 0.00 H new ATOM 0 HA ASP A 49 128.202 -13.969 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 49 127.359 -12.373 6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 49 125.690 -12.795 5.710 1.00 0.00 H new ATOM 783 N PHE A 50 125.265 -15.167 3.832 1.00 0.00 N ATOM 784 CA PHE A 50 124.463 -16.328 3.604 1.00 0.00 C ATOM 785 C PHE A 50 125.091 -17.227 2.521 1.00 0.00 C ATOM 786 O PHE A 50 125.272 -18.421 2.736 1.00 0.00 O ATOM 787 CB PHE A 50 123.080 -15.863 3.191 1.00 0.00 C ATOM 788 CG PHE A 50 122.052 -16.903 3.144 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.399 -17.274 4.290 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.716 -17.501 1.958 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.430 -18.225 4.253 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.749 -18.452 1.921 1.00 0.00 C ATOM 793 CZ PHE A 50 120.104 -18.813 3.069 1.00 0.00 C ATOM 0 H PHE A 50 124.807 -14.298 3.558 1.00 0.00 H new ATOM 0 HA PHE A 50 124.400 -16.925 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 50 122.755 -15.087 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 50 123.150 -15.402 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.657 -16.807 5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.223 -17.214 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.920 -18.514 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.490 -18.923 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.332 -19.568 3.038 1.00 0.00 H new ATOM 803 N LYS A 51 125.465 -16.628 1.390 1.00 0.00 N ATOM 804 CA LYS A 51 126.027 -17.373 0.256 1.00 0.00 C ATOM 805 C LYS A 51 127.330 -18.086 0.642 1.00 0.00 C ATOM 806 O LYS A 51 127.612 -19.175 0.153 1.00 0.00 O ATOM 807 CB LYS A 51 126.265 -16.463 -0.988 1.00 0.00 C ATOM 808 CG LYS A 51 127.444 -15.504 -0.858 1.00 0.00 C ATOM 809 CD LYS A 51 127.638 -14.622 -2.075 1.00 0.00 C ATOM 810 CE LYS A 51 128.900 -13.779 -1.922 1.00 0.00 C ATOM 811 NZ LYS A 51 129.114 -12.861 -3.062 1.00 0.00 N ATOM 0 H LYS A 51 125.389 -15.623 1.232 1.00 0.00 H new ATOM 0 HA LYS A 51 125.285 -18.124 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.424 -17.097 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.361 -15.883 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 127.295 -14.874 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 51 128.354 -16.079 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.710 -15.238 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 51 126.772 -13.973 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.836 -13.199 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 51 129.763 -14.438 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.093 -12.950 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 128.458 -13.105 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 128.941 -11.882 -2.757 1.00 0.00 H new ATOM 825 N LYS A 52 128.108 -17.477 1.533 1.00 0.00 N ATOM 826 CA LYS A 52 129.377 -18.060 1.947 1.00 0.00 C ATOM 827 C LYS A 52 129.201 -19.102 3.059 1.00 0.00 C ATOM 828 O LYS A 52 130.173 -19.754 3.470 1.00 0.00 O ATOM 829 CB LYS A 52 130.381 -16.982 2.380 1.00 0.00 C ATOM 830 CG LYS A 52 129.926 -16.140 3.560 1.00 0.00 C ATOM 831 CD LYS A 52 131.011 -15.197 4.042 1.00 0.00 C ATOM 832 CE LYS A 52 132.216 -15.970 4.546 1.00 0.00 C ATOM 833 NZ LYS A 52 133.256 -15.085 5.082 1.00 0.00 N ATOM 0 H LYS A 52 127.883 -16.587 1.978 1.00 0.00 H new ATOM 0 HA LYS A 52 129.779 -18.572 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 52 131.325 -17.463 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 52 130.577 -16.324 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 52 129.046 -15.563 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 52 129.627 -16.795 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 52 131.312 -14.536 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 52 130.621 -14.564 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 52 131.900 -16.668 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 52 132.631 -16.564 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 134.060 -15.655 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 133.577 -14.436 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 132.869 -14.536 5.876 1.00 0.00 H new ATOM 847 N SER A 53 127.986 -19.286 3.519 1.00 0.00 N ATOM 848 CA SER A 53 127.721 -20.229 4.578 1.00 0.00 C ATOM 849 C SER A 53 127.607 -21.640 4.005 1.00 0.00 C ATOM 850 O SER A 53 127.287 -21.818 2.820 1.00 0.00 O ATOM 851 CB SER A 53 126.452 -19.833 5.327 1.00 0.00 C ATOM 852 OG SER A 53 126.583 -18.512 5.851 1.00 0.00 O ATOM 0 H SER A 53 127.163 -18.792 3.174 1.00 0.00 H new ATOM 0 HA SER A 53 128.549 -20.217 5.287 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.594 -19.883 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 53 126.264 -20.537 6.138 1.00 0.00 H new ATOM 0 HG SER A 53 126.590 -17.867 5.113 1.00 0.00 H new ATOM 858 N LYS A 54 127.903 -22.621 4.812 1.00 0.00 N ATOM 859 CA LYS A 54 127.842 -23.982 4.395 1.00 0.00 C ATOM 860 C LYS A 54 126.940 -24.787 5.318 1.00 0.00 C ATOM 861 O LYS A 54 127.143 -24.864 6.534 1.00 0.00 O ATOM 862 CB LYS A 54 129.270 -24.581 4.196 1.00 0.00 C ATOM 863 CG LYS A 54 130.211 -24.538 5.409 1.00 0.00 C ATOM 864 CD LYS A 54 130.040 -25.743 6.326 1.00 0.00 C ATOM 865 CE LYS A 54 130.931 -25.647 7.559 1.00 0.00 C ATOM 866 NZ LYS A 54 132.352 -25.434 7.209 1.00 0.00 N ATOM 0 H LYS A 54 128.194 -22.491 5.781 1.00 0.00 H new ATOM 0 HA LYS A 54 127.377 -24.036 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 54 129.163 -25.620 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.750 -24.050 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 54 131.243 -24.494 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 54 130.026 -23.626 5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.998 -25.819 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 54 130.277 -26.654 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.588 -24.827 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 54 130.836 -26.561 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 132.941 -25.561 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 132.638 -26.122 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 132.478 -24.470 6.841 1.00 0.00 H new ATOM 880 N GLY A 55 125.896 -25.268 4.754 1.00 0.00 N ATOM 881 CA GLY A 55 124.957 -26.076 5.449 1.00 0.00 C ATOM 882 C GLY A 55 123.591 -25.817 4.896 1.00 0.00 C ATOM 883 O GLY A 55 123.038 -24.760 5.136 1.00 0.00 O ATOM 0 H GLY A 55 125.662 -25.109 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.214 -27.130 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.981 -25.850 6.515 1.00 0.00 H new ATOM 887 N PRO A 56 123.017 -26.749 4.131 1.00 0.00 N ATOM 888 CA PRO A 56 121.724 -26.546 3.479 1.00 0.00 C ATOM 889 C PRO A 56 120.597 -26.257 4.469 1.00 0.00 C ATOM 890 O PRO A 56 119.709 -25.473 4.177 1.00 0.00 O ATOM 891 CB PRO A 56 121.472 -27.846 2.714 1.00 0.00 C ATOM 892 CG PRO A 56 122.808 -28.492 2.607 1.00 0.00 C ATOM 893 CD PRO A 56 123.569 -28.075 3.831 1.00 0.00 C ATOM 0 HA PRO A 56 121.744 -25.671 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.765 -28.485 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.048 -27.649 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.714 -29.577 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.323 -28.175 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.417 -28.771 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.642 -28.032 3.643 1.00 0.00 H new ATOM 901 N GLN A 57 120.661 -26.833 5.655 1.00 0.00 N ATOM 902 CA GLN A 57 119.631 -26.579 6.659 1.00 0.00 C ATOM 903 C GLN A 57 119.737 -25.158 7.172 1.00 0.00 C ATOM 904 O GLN A 57 118.730 -24.477 7.369 1.00 0.00 O ATOM 905 CB GLN A 57 119.711 -27.583 7.797 1.00 0.00 C ATOM 906 CG GLN A 57 119.425 -29.012 7.368 1.00 0.00 C ATOM 907 CD GLN A 57 117.993 -29.245 6.907 1.00 0.00 C ATOM 908 OE1 GLN A 57 117.321 -28.355 6.378 1.00 0.00 O ATOM 909 NE2 GLN A 57 117.528 -30.441 7.073 1.00 0.00 N ATOM 0 H GLN A 57 121.401 -27.471 5.949 1.00 0.00 H new ATOM 0 HA GLN A 57 118.656 -26.701 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.705 -27.538 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.002 -27.297 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 57 120.105 -29.281 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 57 119.641 -29.681 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 57 118.106 -31.156 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 57 116.583 -30.668 6.763 1.00 0.00 H new ATOM 918 N GLN A 58 120.976 -24.697 7.280 1.00 0.00 N ATOM 919 CA GLN A 58 121.312 -23.347 7.717 1.00 0.00 C ATOM 920 C GLN A 58 120.741 -22.339 6.710 1.00 0.00 C ATOM 921 O GLN A 58 120.422 -21.192 7.056 1.00 0.00 O ATOM 922 CB GLN A 58 122.854 -23.239 7.810 1.00 0.00 C ATOM 923 CG GLN A 58 123.414 -21.974 8.455 1.00 0.00 C ATOM 924 CD GLN A 58 122.875 -21.738 9.861 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.498 -22.678 10.572 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.916 -20.512 10.306 1.00 0.00 N ATOM 0 H GLN A 58 121.795 -25.264 7.061 1.00 0.00 H new ATOM 0 HA GLN A 58 120.883 -23.129 8.695 1.00 0.00 H new ATOM 0 HB2 GLN A 58 123.222 -24.098 8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 58 123.262 -23.317 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 58 124.501 -22.043 8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 58 123.172 -21.115 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 58 123.232 -19.758 9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 58 122.633 -20.308 11.264 1.00 0.00 H new ATOM 935 N ILE A 59 120.577 -22.811 5.478 1.00 0.00 N ATOM 936 CA ILE A 59 120.022 -22.027 4.402 1.00 0.00 C ATOM 937 C ILE A 59 118.533 -21.806 4.637 1.00 0.00 C ATOM 938 O ILE A 59 118.067 -20.679 4.626 1.00 0.00 O ATOM 939 CB ILE A 59 120.195 -22.726 3.021 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.649 -23.150 2.766 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.675 -21.855 1.901 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.676 -22.067 2.923 1.00 0.00 C ATOM 0 H ILE A 59 120.831 -23.760 5.205 1.00 0.00 H new ATOM 0 HA ILE A 59 120.560 -21.079 4.387 1.00 0.00 H new ATOM 0 HB ILE A 59 119.597 -23.637 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.897 -23.963 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.720 -23.550 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.809 -22.368 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.616 -21.653 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.225 -20.914 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.667 -22.473 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.464 -21.260 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.644 -21.680 3.941 1.00 0.00 H new ATOM 954 N HIS A 60 117.804 -22.903 4.882 1.00 0.00 N ATOM 955 CA HIS A 60 116.329 -22.855 5.077 1.00 0.00 C ATOM 956 C HIS A 60 115.970 -21.876 6.167 1.00 0.00 C ATOM 957 O HIS A 60 115.139 -20.990 5.966 1.00 0.00 O ATOM 958 CB HIS A 60 115.731 -24.236 5.447 1.00 0.00 C ATOM 959 CG HIS A 60 115.841 -25.295 4.393 1.00 0.00 C ATOM 960 ND1 HIS A 60 116.862 -26.091 4.063 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 114.814 -25.645 3.555 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.445 -26.892 3.040 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.206 -26.599 2.756 1.00 0.00 N flip ATOM 0 H HIS A 60 118.202 -23.840 4.952 1.00 0.00 H new ATOM 0 HA HIS A 60 115.907 -22.540 4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.225 -24.595 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.678 -24.101 5.692 1.00 0.00 H new ATOM 0 HD1 HIS A 60 117.785 -26.099 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 60 113.830 -25.199 3.556 1.00 0.00 H new ATOM 0 HE1 HIS A 60 117.042 -27.645 2.547 1.00 0.00 H new ATOM 972 N LEU A 61 116.648 -22.026 7.290 1.00 0.00 N ATOM 973 CA LEU A 61 116.432 -21.214 8.476 1.00 0.00 C ATOM 974 C LEU A 61 116.621 -19.740 8.162 1.00 0.00 C ATOM 975 O LEU A 61 115.668 -18.945 8.196 1.00 0.00 O ATOM 976 CB LEU A 61 117.460 -21.591 9.530 1.00 0.00 C ATOM 977 CG LEU A 61 117.606 -23.062 9.841 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.785 -23.258 10.750 1.00 0.00 C ATOM 979 CD2 LEU A 61 116.337 -23.617 10.462 1.00 0.00 C ATOM 0 H LEU A 61 117.378 -22.729 7.407 1.00 0.00 H new ATOM 0 HA LEU A 61 115.416 -21.389 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.431 -21.213 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 61 117.206 -21.072 10.454 1.00 0.00 H new ATOM 0 HG LEU A 61 117.775 -23.610 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.896 -24.318 10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.688 -22.896 10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.628 -22.702 11.674 1.00 0.00 H new ATOM 0 HD21 LEU A 61 116.470 -24.678 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 61 116.122 -23.084 11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 61 115.506 -23.488 9.768 1.00 0.00 H new ATOM 991 N LYS A 62 117.848 -19.394 7.835 1.00 0.00 N ATOM 992 CA LYS A 62 118.213 -18.012 7.589 1.00 0.00 C ATOM 993 C LYS A 62 117.505 -17.355 6.410 1.00 0.00 C ATOM 994 O LYS A 62 117.150 -16.186 6.502 1.00 0.00 O ATOM 995 CB LYS A 62 119.720 -17.811 7.522 1.00 0.00 C ATOM 996 CG LYS A 62 120.411 -17.960 8.868 1.00 0.00 C ATOM 997 CD LYS A 62 121.835 -17.425 8.853 1.00 0.00 C ATOM 998 CE LYS A 62 121.864 -15.913 8.622 1.00 0.00 C ATOM 999 NZ LYS A 62 123.226 -15.364 8.744 1.00 0.00 N ATOM 0 H LYS A 62 118.617 -20.056 7.732 1.00 0.00 H new ATOM 0 HA LYS A 62 117.842 -17.484 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.144 -18.532 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.929 -16.818 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.836 -17.432 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.424 -19.012 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.323 -17.659 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.404 -17.925 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.470 -15.690 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.209 -15.423 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.184 -14.428 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.807 -16.003 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.650 -15.273 7.799 1.00 0.00 H new ATOM 1013 N ALA A 63 117.279 -18.083 5.323 1.00 0.00 N ATOM 1014 CA ALA A 63 116.602 -17.495 4.164 1.00 0.00 C ATOM 1015 C ALA A 63 115.210 -17.097 4.535 1.00 0.00 C ATOM 1016 O ALA A 63 114.779 -15.995 4.241 1.00 0.00 O ATOM 1017 CB ALA A 63 116.530 -18.458 3.007 1.00 0.00 C ATOM 0 H ALA A 63 117.546 -19.061 5.215 1.00 0.00 H new ATOM 0 HA ALA A 63 117.183 -16.625 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.021 -17.982 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.539 -18.741 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.978 -19.348 3.309 1.00 0.00 H new ATOM 1023 N LYS A 64 114.521 -17.988 5.209 1.00 0.00 N ATOM 1024 CA LYS A 64 113.153 -17.752 5.604 1.00 0.00 C ATOM 1025 C LYS A 64 113.081 -16.555 6.564 1.00 0.00 C ATOM 1026 O LYS A 64 112.155 -15.752 6.493 1.00 0.00 O ATOM 1027 CB LYS A 64 112.579 -19.018 6.235 1.00 0.00 C ATOM 1028 CG LYS A 64 111.071 -19.036 6.415 1.00 0.00 C ATOM 1029 CD LYS A 64 110.327 -18.899 5.083 1.00 0.00 C ATOM 1030 CE LYS A 64 108.877 -19.278 5.268 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.033 -19.080 4.073 1.00 0.00 N ATOM 0 H LYS A 64 114.892 -18.893 5.498 1.00 0.00 H new ATOM 0 HA LYS A 64 112.552 -17.507 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.864 -19.871 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.045 -19.160 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.776 -19.967 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.776 -18.223 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.401 -17.875 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.787 -19.540 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.824 -20.325 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.464 -18.693 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.056 -19.364 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.050 -18.077 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.398 -19.659 3.290 1.00 0.00 H new ATOM 1045 N ALA A 65 114.094 -16.416 7.408 1.00 0.00 N ATOM 1046 CA ALA A 65 114.174 -15.301 8.342 1.00 0.00 C ATOM 1047 C ALA A 65 114.355 -13.976 7.587 1.00 0.00 C ATOM 1048 O ALA A 65 113.591 -13.020 7.800 1.00 0.00 O ATOM 1049 CB ALA A 65 115.312 -15.513 9.331 1.00 0.00 C ATOM 0 H ALA A 65 114.877 -17.067 7.465 1.00 0.00 H new ATOM 0 HA ALA A 65 113.239 -15.253 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.356 -14.670 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.140 -16.432 9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.255 -15.589 8.790 1.00 0.00 H new ATOM 1055 N ILE A 66 115.340 -13.940 6.686 1.00 0.00 N ATOM 1056 CA ILE A 66 115.639 -12.750 5.871 1.00 0.00 C ATOM 1057 C ILE A 66 114.422 -12.397 4.993 1.00 0.00 C ATOM 1058 O ILE A 66 114.076 -11.233 4.815 1.00 0.00 O ATOM 1059 CB ILE A 66 116.918 -12.982 4.987 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.146 -13.265 5.879 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.192 -11.793 4.063 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.430 -13.574 5.114 1.00 0.00 C ATOM 0 H ILE A 66 115.955 -14.732 6.498 1.00 0.00 H new ATOM 0 HA ILE A 66 115.845 -11.913 6.538 1.00 0.00 H new ATOM 0 HB ILE A 66 116.729 -13.852 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.320 -12.401 6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.917 -14.106 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.084 -11.992 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.340 -11.644 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.348 -10.895 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.239 -13.759 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.280 -14.458 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.689 -12.726 4.480 1.00 0.00 H new ATOM 1074 N TYR A 67 113.771 -13.423 4.495 1.00 0.00 N ATOM 1075 CA TYR A 67 112.551 -13.312 3.708 1.00 0.00 C ATOM 1076 C TYR A 67 111.460 -12.561 4.483 1.00 0.00 C ATOM 1077 O TYR A 67 111.071 -11.454 4.104 1.00 0.00 O ATOM 1078 CB TYR A 67 112.072 -14.723 3.379 1.00 0.00 C ATOM 1079 CG TYR A 67 110.772 -14.788 2.659 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.691 -14.418 1.347 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.627 -15.221 3.302 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.508 -14.462 0.668 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.431 -15.283 2.643 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.361 -14.901 1.331 1.00 0.00 C ATOM 1085 OH TYR A 67 107.158 -14.987 0.671 1.00 0.00 O ATOM 0 H TYR A 67 114.079 -14.387 4.626 1.00 0.00 H new ATOM 0 HA TYR A 67 112.756 -12.750 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.832 -15.218 2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.986 -15.288 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.582 -14.084 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.678 -15.515 4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.460 -14.161 -0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.546 -15.632 3.155 1.00 0.00 H new ATOM 0 HH TYR A 67 106.469 -15.312 1.288 1.00 0.00 H new ATOM 1095 N GLU A 68 111.043 -13.142 5.601 1.00 0.00 N ATOM 1096 CA GLU A 68 109.951 -12.625 6.442 1.00 0.00 C ATOM 1097 C GLU A 68 110.251 -11.229 6.993 1.00 0.00 C ATOM 1098 O GLU A 68 109.342 -10.484 7.360 1.00 0.00 O ATOM 1099 CB GLU A 68 109.734 -13.591 7.605 1.00 0.00 C ATOM 1100 CG GLU A 68 109.190 -14.959 7.204 1.00 0.00 C ATOM 1101 CD GLU A 68 107.695 -14.975 7.070 1.00 0.00 C ATOM 1102 OE1 GLU A 68 107.164 -14.700 5.992 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.002 -15.284 8.083 1.00 0.00 O ATOM 0 H GLU A 68 111.457 -14.002 5.962 1.00 0.00 H new ATOM 0 HA GLU A 68 109.057 -12.545 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.681 -13.730 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.044 -13.135 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 68 109.638 -15.260 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.491 -15.697 7.948 1.00 0.00 H new ATOM 1110 N LYS A 69 111.512 -10.889 7.053 1.00 0.00 N ATOM 1111 CA LYS A 69 111.939 -9.636 7.618 1.00 0.00 C ATOM 1112 C LYS A 69 112.096 -8.545 6.557 1.00 0.00 C ATOM 1113 O LYS A 69 111.884 -7.364 6.837 1.00 0.00 O ATOM 1114 CB LYS A 69 113.262 -9.863 8.362 1.00 0.00 C ATOM 1115 CG LYS A 69 113.837 -8.645 9.063 1.00 0.00 C ATOM 1116 CD LYS A 69 115.063 -9.006 9.902 1.00 0.00 C ATOM 1117 CE LYS A 69 114.727 -10.013 11.005 1.00 0.00 C ATOM 1118 NZ LYS A 69 113.731 -9.477 11.960 1.00 0.00 N ATOM 0 H LYS A 69 112.274 -11.475 6.711 1.00 0.00 H new ATOM 0 HA LYS A 69 111.172 -9.285 8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.112 -10.649 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.000 -10.232 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.111 -7.893 8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.076 -8.199 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.836 -9.421 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 69 115.475 -8.102 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 69 114.342 -10.928 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.637 -10.280 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 113.645 -10.123 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 114.039 -8.541 12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 112.809 -9.390 11.487 1.00 0.00 H new ATOM 1132 N PHE A 70 112.376 -8.932 5.340 1.00 0.00 N ATOM 1133 CA PHE A 70 112.768 -7.964 4.334 1.00 0.00 C ATOM 1134 C PHE A 70 111.982 -8.116 3.053 1.00 0.00 C ATOM 1135 O PHE A 70 111.357 -7.178 2.586 1.00 0.00 O ATOM 1136 CB PHE A 70 114.262 -8.112 4.014 1.00 0.00 C ATOM 1137 CG PHE A 70 115.213 -7.759 5.119 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.398 -6.439 5.492 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.936 -8.742 5.769 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.282 -6.111 6.495 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.823 -8.419 6.767 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.995 -7.102 7.132 1.00 0.00 C ATOM 0 H PHE A 70 112.342 -9.899 5.018 1.00 0.00 H new ATOM 0 HA PHE A 70 112.560 -6.977 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.449 -9.144 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.491 -7.486 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.844 -5.659 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.802 -9.776 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.416 -5.078 6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.384 -9.196 7.264 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.690 -6.846 7.918 1.00 0.00 H new ATOM 1152 N ILE A 71 112.033 -9.303 2.498 1.00 0.00 N ATOM 1153 CA ILE A 71 111.411 -9.628 1.213 1.00 0.00 C ATOM 1154 C ILE A 71 109.898 -9.507 1.305 1.00 0.00 C ATOM 1155 O ILE A 71 109.211 -9.205 0.313 1.00 0.00 O ATOM 1156 CB ILE A 71 111.803 -11.079 0.795 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.323 -11.194 0.702 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.155 -11.520 -0.522 1.00 0.00 C ATOM 1159 CD1 ILE A 71 113.952 -10.201 -0.252 1.00 0.00 C ATOM 0 H ILE A 71 112.515 -10.094 2.926 1.00 0.00 H new ATOM 0 HA ILE A 71 111.768 -8.924 0.462 1.00 0.00 H new ATOM 0 HB ILE A 71 111.423 -11.749 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.751 -11.052 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.583 -12.204 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.467 -12.537 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.070 -11.487 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.467 -10.850 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.033 -10.343 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.553 -10.357 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.723 -9.187 0.076 1.00 0.00 H new ATOM 1171 N GLN A 72 109.394 -9.728 2.494 1.00 0.00 N ATOM 1172 CA GLN A 72 107.986 -9.658 2.745 1.00 0.00 C ATOM 1173 C GLN A 72 107.531 -8.189 2.629 1.00 0.00 C ATOM 1174 O GLN A 72 108.272 -7.282 2.968 1.00 0.00 O ATOM 1175 CB GLN A 72 107.714 -10.208 4.138 1.00 0.00 C ATOM 1176 CG GLN A 72 106.268 -10.506 4.421 1.00 0.00 C ATOM 1177 CD GLN A 72 105.711 -11.600 3.532 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.428 -12.486 3.075 1.00 0.00 O ATOM 1179 NE2 GLN A 72 104.436 -11.581 3.334 1.00 0.00 N ATOM 0 H GLN A 72 109.955 -9.962 3.313 1.00 0.00 H new ATOM 0 HA GLN A 72 107.429 -10.250 2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.293 -11.122 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.075 -9.490 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.160 -10.801 5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.681 -9.598 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 72 103.870 -10.830 3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 72 103.994 -12.317 2.783 1.00 0.00 H new ATOM 1188 N THR A 73 106.337 -7.965 2.168 1.00 0.00 N ATOM 1189 CA THR A 73 105.858 -6.610 1.959 1.00 0.00 C ATOM 1190 C THR A 73 105.235 -6.058 3.248 1.00 0.00 C ATOM 1191 O THR A 73 105.388 -4.885 3.602 1.00 0.00 O ATOM 1192 CB THR A 73 104.869 -6.586 0.787 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.546 -7.069 -0.393 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.339 -5.190 0.547 1.00 0.00 C ATOM 0 H THR A 73 105.668 -8.696 1.926 1.00 0.00 H new ATOM 0 HA THR A 73 106.696 -5.962 1.703 1.00 0.00 H new ATOM 0 HB THR A 73 104.018 -7.225 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.926 -7.062 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.641 -5.205 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.826 -4.837 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.168 -4.521 0.316 1.00 0.00 H new ATOM 1202 N ASP A 74 104.571 -6.927 3.953 1.00 0.00 N ATOM 1203 CA ASP A 74 104.012 -6.622 5.280 1.00 0.00 C ATOM 1204 C ASP A 74 105.087 -6.768 6.366 1.00 0.00 C ATOM 1205 O ASP A 74 104.786 -6.733 7.571 1.00 0.00 O ATOM 1206 CB ASP A 74 102.805 -7.533 5.610 1.00 0.00 C ATOM 1207 CG ASP A 74 103.141 -9.018 5.636 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.580 -9.543 6.686 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.962 -9.693 4.598 1.00 0.00 O ATOM 0 H ASP A 74 104.389 -7.880 3.639 1.00 0.00 H new ATOM 0 HA ASP A 74 103.664 -5.589 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.400 -7.245 6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.020 -7.361 4.873 1.00 0.00 H new ATOM 1214 N ALA A 75 106.337 -6.872 5.932 1.00 0.00 N ATOM 1215 CA ALA A 75 107.479 -7.053 6.808 1.00 0.00 C ATOM 1216 C ALA A 75 107.695 -5.841 7.698 1.00 0.00 C ATOM 1217 O ALA A 75 107.263 -4.729 7.367 1.00 0.00 O ATOM 1218 CB ALA A 75 108.736 -7.299 5.993 1.00 0.00 C ATOM 0 H ALA A 75 106.586 -6.832 4.944 1.00 0.00 H new ATOM 0 HA ALA A 75 107.271 -7.917 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.584 -7.433 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.607 -8.196 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.920 -6.445 5.341 1.00 0.00 H new ATOM 1224 N PRO A 76 108.368 -6.040 8.843 1.00 0.00 N ATOM 1225 CA PRO A 76 108.696 -4.957 9.774 1.00 0.00 C ATOM 1226 C PRO A 76 109.761 -4.020 9.194 1.00 0.00 C ATOM 1227 O PRO A 76 109.941 -2.884 9.657 1.00 0.00 O ATOM 1228 CB PRO A 76 109.252 -5.696 10.994 1.00 0.00 C ATOM 1229 CG PRO A 76 109.751 -6.990 10.456 1.00 0.00 C ATOM 1230 CD PRO A 76 108.838 -7.353 9.341 1.00 0.00 C ATOM 0 HA PRO A 76 107.835 -4.327 9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.053 -5.129 11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.481 -5.852 11.748 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.778 -6.895 10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.749 -7.760 11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.356 -7.916 8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.010 -7.973 9.685 1.00 0.00 H new ATOM 1238 N LYS A 77 110.475 -4.507 8.203 1.00 0.00 N ATOM 1239 CA LYS A 77 111.481 -3.731 7.533 1.00 0.00 C ATOM 1240 C LYS A 77 111.000 -3.403 6.144 1.00 0.00 C ATOM 1241 O LYS A 77 110.744 -2.239 5.838 1.00 0.00 O ATOM 1242 CB LYS A 77 112.806 -4.502 7.461 1.00 0.00 C ATOM 1243 CG LYS A 77 113.434 -4.885 8.808 1.00 0.00 C ATOM 1244 CD LYS A 77 114.146 -3.723 9.506 1.00 0.00 C ATOM 1245 CE LYS A 77 113.220 -2.615 9.978 1.00 0.00 C ATOM 1246 NZ LYS A 77 113.976 -1.503 10.568 1.00 0.00 N ATOM 0 H LYS A 77 110.370 -5.455 7.842 1.00 0.00 H new ATOM 0 HA LYS A 77 111.655 -2.812 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.643 -5.414 6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.525 -3.899 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.655 -5.270 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.147 -5.694 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.695 -4.111 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.881 -3.299 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 77 112.628 -2.250 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 77 112.520 -3.012 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 113.346 -0.937 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.758 -1.880 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 114.360 -0.903 9.810 1.00 0.00 H new ATOM 1260 N GLU A 78 110.855 -4.461 5.324 1.00 0.00 N ATOM 1261 CA GLU A 78 110.402 -4.381 3.923 1.00 0.00 C ATOM 1262 C GLU A 78 111.549 -3.759 3.070 1.00 0.00 C ATOM 1263 O GLU A 78 112.337 -2.931 3.558 1.00 0.00 O ATOM 1264 CB GLU A 78 109.069 -3.579 3.832 1.00 0.00 C ATOM 1265 CG GLU A 78 108.149 -3.880 2.644 1.00 0.00 C ATOM 1266 CD GLU A 78 108.708 -3.564 1.295 1.00 0.00 C ATOM 1267 OE1 GLU A 78 108.844 -2.357 0.961 1.00 0.00 O ATOM 1268 OE2 GLU A 78 108.979 -4.501 0.520 1.00 0.00 O ATOM 0 H GLU A 78 111.054 -5.415 5.624 1.00 0.00 H new ATOM 0 HA GLU A 78 110.186 -5.373 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.506 -3.755 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.315 -2.517 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.887 -4.938 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 78 107.223 -3.319 2.774 1.00 0.00 H new ATOM 1275 N VAL A 79 111.660 -4.147 1.836 1.00 0.00 N ATOM 1276 CA VAL A 79 112.763 -3.710 1.011 1.00 0.00 C ATOM 1277 C VAL A 79 112.238 -3.021 -0.225 1.00 0.00 C ATOM 1278 O VAL A 79 111.208 -3.403 -0.766 1.00 0.00 O ATOM 1279 CB VAL A 79 113.663 -4.916 0.584 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.871 -4.472 -0.212 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.120 -5.687 1.779 1.00 0.00 C ATOM 0 H VAL A 79 111.000 -4.769 1.369 1.00 0.00 H new ATOM 0 HA VAL A 79 113.366 -3.016 1.597 1.00 0.00 H new ATOM 0 HB VAL A 79 113.048 -5.553 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.466 -5.343 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.543 -3.958 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.476 -3.795 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.744 -6.521 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.696 -5.034 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.253 -6.070 2.318 1.00 0.00 H new ATOM 1291 N ASN A 80 112.970 -2.038 -0.697 1.00 0.00 N ATOM 1292 CA ASN A 80 112.651 -1.298 -1.927 1.00 0.00 C ATOM 1293 C ASN A 80 113.042 -2.168 -3.138 1.00 0.00 C ATOM 1294 O ASN A 80 113.634 -1.707 -4.116 1.00 0.00 O ATOM 1295 CB ASN A 80 113.460 0.002 -1.943 1.00 0.00 C ATOM 1296 CG ASN A 80 113.322 0.791 -0.663 1.00 0.00 C ATOM 1297 OD1 ASN A 80 114.114 0.626 0.276 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.331 1.619 -0.594 1.00 0.00 N ATOM 0 H ASN A 80 113.822 -1.714 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 80 111.587 -1.065 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 80 114.512 -0.232 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 80 113.134 0.618 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.180 2.164 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 80 111.700 1.727 -1.388 1.00 0.00 H new ATOM 1305 N LEU A 81 112.648 -3.403 -3.062 1.00 0.00 N ATOM 1306 CA LEU A 81 113.009 -4.422 -3.981 1.00 0.00 C ATOM 1307 C LEU A 81 111.997 -4.542 -5.096 1.00 0.00 C ATOM 1308 O LEU A 81 110.788 -4.401 -4.874 1.00 0.00 O ATOM 1309 CB LEU A 81 113.117 -5.743 -3.215 1.00 0.00 C ATOM 1310 CG LEU A 81 113.513 -6.978 -3.989 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.954 -6.865 -4.374 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.255 -8.241 -3.167 1.00 0.00 C ATOM 0 H LEU A 81 112.036 -3.737 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 81 113.965 -4.171 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.841 -5.606 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.153 -5.937 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 81 112.907 -7.054 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.252 -7.752 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.097 -5.980 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.565 -6.781 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.548 -9.117 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.838 -8.202 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.195 -8.306 -2.922 1.00 0.00 H new ATOM 1324 N ASP A 82 112.515 -4.777 -6.281 1.00 0.00 N ATOM 1325 CA ASP A 82 111.740 -5.039 -7.494 1.00 0.00 C ATOM 1326 C ASP A 82 110.671 -6.108 -7.239 1.00 0.00 C ATOM 1327 O ASP A 82 110.955 -7.158 -6.624 1.00 0.00 O ATOM 1328 CB ASP A 82 112.702 -5.495 -8.593 1.00 0.00 C ATOM 1329 CG ASP A 82 112.024 -5.959 -9.856 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.703 -5.113 -10.715 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.816 -7.188 -10.016 1.00 0.00 O ATOM 0 H ASP A 82 113.522 -4.794 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 82 111.226 -4.129 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.374 -4.672 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.319 -6.306 -8.206 1.00 0.00 H new ATOM 1336 N PHE A 83 109.455 -5.825 -7.683 1.00 0.00 N ATOM 1337 CA PHE A 83 108.302 -6.694 -7.475 1.00 0.00 C ATOM 1338 C PHE A 83 108.527 -8.107 -8.013 1.00 0.00 C ATOM 1339 O PHE A 83 108.283 -9.077 -7.305 1.00 0.00 O ATOM 1340 CB PHE A 83 107.029 -6.072 -8.082 1.00 0.00 C ATOM 1341 CG PHE A 83 105.774 -6.879 -7.848 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.113 -6.817 -6.633 1.00 0.00 C ATOM 1343 CD2 PHE A 83 105.256 -7.694 -8.844 1.00 0.00 C ATOM 1344 CE1 PHE A 83 103.964 -7.551 -6.414 1.00 0.00 C ATOM 1345 CE2 PHE A 83 104.107 -8.432 -8.631 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.461 -8.360 -7.414 1.00 0.00 C ATOM 0 H PHE A 83 109.237 -4.976 -8.204 1.00 0.00 H new ATOM 0 HA PHE A 83 108.166 -6.785 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.890 -5.075 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.174 -5.950 -9.155 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.501 -6.187 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 83 105.757 -7.753 -9.799 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.459 -7.492 -5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 83 103.716 -9.063 -9.415 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.563 -8.936 -7.244 1.00 0.00 H new ATOM 1356 N HIS A 84 109.015 -8.225 -9.233 1.00 0.00 N ATOM 1357 CA HIS A 84 109.242 -9.542 -9.819 1.00 0.00 C ATOM 1358 C HIS A 84 110.362 -10.272 -9.088 1.00 0.00 C ATOM 1359 O HIS A 84 110.336 -11.495 -8.968 1.00 0.00 O ATOM 1360 CB HIS A 84 109.497 -9.463 -11.338 1.00 0.00 C ATOM 1361 CG HIS A 84 109.790 -10.794 -11.998 1.00 0.00 C ATOM 1362 ND1 HIS A 84 108.883 -11.835 -12.068 1.00 0.00 N ATOM 1363 CD2 HIS A 84 110.911 -11.250 -12.598 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.438 -12.856 -12.678 1.00 0.00 C ATOM 1365 NE2 HIS A 84 110.662 -12.531 -13.008 1.00 0.00 N ATOM 0 H HIS A 84 109.261 -7.439 -9.835 1.00 0.00 H new ATOM 0 HA HIS A 84 108.329 -10.124 -9.692 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.624 -9.019 -11.817 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.336 -8.791 -11.518 1.00 0.00 H new ATOM 0 HD1 HIS A 84 107.931 -11.813 -11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 84 111.833 -10.704 -12.730 1.00 0.00 H new ATOM 0 HE1 HIS A 84 108.964 -13.806 -12.875 1.00 0.00 H new ATOM 1374 N THR A 85 111.313 -9.524 -8.589 1.00 0.00 N ATOM 1375 CA THR A 85 112.380 -10.086 -7.811 1.00 0.00 C ATOM 1376 C THR A 85 111.825 -10.715 -6.521 1.00 0.00 C ATOM 1377 O THR A 85 112.061 -11.899 -6.258 1.00 0.00 O ATOM 1378 CB THR A 85 113.437 -9.028 -7.486 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.905 -8.440 -8.715 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.613 -9.646 -6.734 1.00 0.00 C ATOM 0 H THR A 85 111.367 -8.513 -8.712 1.00 0.00 H new ATOM 0 HA THR A 85 112.859 -10.867 -8.401 1.00 0.00 H new ATOM 0 HB THR A 85 112.988 -8.265 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.143 -8.083 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.351 -8.874 -6.515 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.258 -10.085 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.071 -10.421 -7.348 1.00 0.00 H new ATOM 1388 N LYS A 86 111.040 -9.946 -5.744 1.00 0.00 N ATOM 1389 CA LYS A 86 110.449 -10.499 -4.522 1.00 0.00 C ATOM 1390 C LYS A 86 109.469 -11.616 -4.849 1.00 0.00 C ATOM 1391 O LYS A 86 109.331 -12.560 -4.090 1.00 0.00 O ATOM 1392 CB LYS A 86 109.805 -9.439 -3.590 1.00 0.00 C ATOM 1393 CG LYS A 86 108.682 -8.602 -4.189 1.00 0.00 C ATOM 1394 CD LYS A 86 107.898 -7.827 -3.114 1.00 0.00 C ATOM 1395 CE LYS A 86 108.776 -6.901 -2.262 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.963 -6.137 -1.280 1.00 0.00 N ATOM 0 H LYS A 86 110.808 -8.971 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 86 111.282 -10.913 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.417 -9.950 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.589 -8.764 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.100 -7.899 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.999 -9.252 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 86 107.122 -7.234 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.394 -8.539 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.526 -7.491 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 86 109.313 -6.208 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.584 -5.749 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.474 -5.358 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.261 -6.769 -0.845 1.00 0.00 H new ATOM 1410 N GLU A 87 108.819 -11.500 -5.992 1.00 0.00 N ATOM 1411 CA GLU A 87 107.909 -12.525 -6.503 1.00 0.00 C ATOM 1412 C GLU A 87 108.620 -13.873 -6.609 1.00 0.00 C ATOM 1413 O GLU A 87 108.168 -14.870 -6.030 1.00 0.00 O ATOM 1414 CB GLU A 87 107.362 -12.109 -7.866 1.00 0.00 C ATOM 1415 CG GLU A 87 106.508 -13.155 -8.550 1.00 0.00 C ATOM 1416 CD GLU A 87 106.004 -12.684 -9.875 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.946 -12.042 -9.920 1.00 0.00 O ATOM 1418 OE2 GLU A 87 106.670 -12.924 -10.903 1.00 0.00 O ATOM 0 H GLU A 87 108.904 -10.687 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 87 107.078 -12.628 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.772 -11.201 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.199 -11.860 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.090 -14.066 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.663 -13.409 -7.910 1.00 0.00 H new ATOM 1425 N VAL A 88 109.750 -13.892 -7.297 1.00 0.00 N ATOM 1426 CA VAL A 88 110.521 -15.116 -7.470 1.00 0.00 C ATOM 1427 C VAL A 88 110.966 -15.660 -6.113 1.00 0.00 C ATOM 1428 O VAL A 88 110.936 -16.871 -5.876 1.00 0.00 O ATOM 1429 CB VAL A 88 111.749 -14.904 -8.401 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.544 -16.195 -8.574 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.293 -14.393 -9.754 1.00 0.00 C ATOM 0 H VAL A 88 110.156 -13.072 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 88 109.871 -15.847 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 88 112.401 -14.165 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.395 -16.013 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 88 112.901 -16.535 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.904 -16.960 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.160 -14.248 -10.399 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.620 -15.119 -10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.771 -13.444 -9.628 1.00 0.00 H new ATOM 1441 N ILE A 89 111.314 -14.759 -5.209 1.00 0.00 N ATOM 1442 CA ILE A 89 111.726 -15.141 -3.871 1.00 0.00 C ATOM 1443 C ILE A 89 110.562 -15.773 -3.111 1.00 0.00 C ATOM 1444 O ILE A 89 110.734 -16.807 -2.491 1.00 0.00 O ATOM 1445 CB ILE A 89 112.274 -13.948 -3.061 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.410 -13.275 -3.824 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.763 -14.416 -1.683 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.932 -12.035 -3.155 1.00 0.00 C ATOM 0 H ILE A 89 111.319 -13.753 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 89 112.531 -15.867 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 89 111.471 -13.226 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.228 -13.986 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.063 -13.019 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.147 -13.563 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 89 111.934 -14.865 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.556 -15.153 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.738 -11.610 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.127 -11.306 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.310 -12.288 -2.165 1.00 0.00 H new ATOM 1460 N THR A 90 109.368 -15.175 -3.198 1.00 0.00 N ATOM 1461 CA THR A 90 108.196 -15.708 -2.498 1.00 0.00 C ATOM 1462 C THR A 90 107.878 -17.134 -2.959 1.00 0.00 C ATOM 1463 O THR A 90 107.418 -17.962 -2.189 1.00 0.00 O ATOM 1464 CB THR A 90 106.923 -14.794 -2.635 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.522 -14.632 -4.012 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.162 -13.422 -2.030 1.00 0.00 C ATOM 0 H THR A 90 109.190 -14.330 -3.741 1.00 0.00 H new ATOM 0 HA THR A 90 108.461 -15.725 -1.441 1.00 0.00 H new ATOM 0 HB THR A 90 106.124 -15.298 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.204 -15.020 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.264 -12.814 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.401 -13.528 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 90 107.993 -12.938 -2.543 1.00 0.00 H new ATOM 1474 N ASN A 91 108.195 -17.421 -4.201 1.00 0.00 N ATOM 1475 CA ASN A 91 107.922 -18.722 -4.776 1.00 0.00 C ATOM 1476 C ASN A 91 109.071 -19.690 -4.553 1.00 0.00 C ATOM 1477 O ASN A 91 108.872 -20.904 -4.563 1.00 0.00 O ATOM 1478 CB ASN A 91 107.632 -18.590 -6.269 1.00 0.00 C ATOM 1479 CG ASN A 91 106.386 -17.777 -6.548 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.418 -17.804 -5.774 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.406 -17.029 -7.617 1.00 0.00 N ATOM 0 H ASN A 91 108.646 -16.765 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 91 107.044 -19.126 -4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.485 -18.123 -6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.518 -19.583 -6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.605 -16.438 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.222 -17.035 -8.229 1.00 0.00 H new ATOM 1488 N SER A 92 110.259 -19.170 -4.333 1.00 0.00 N ATOM 1489 CA SER A 92 111.438 -20.013 -4.187 1.00 0.00 C ATOM 1490 C SER A 92 111.924 -20.108 -2.740 1.00 0.00 C ATOM 1491 O SER A 92 112.852 -20.837 -2.458 1.00 0.00 O ATOM 1492 CB SER A 92 112.565 -19.485 -5.074 1.00 0.00 C ATOM 1493 OG SER A 92 112.125 -19.364 -6.420 1.00 0.00 O ATOM 0 H SER A 92 110.440 -18.170 -4.251 1.00 0.00 H new ATOM 0 HA SER A 92 111.151 -21.018 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.901 -18.515 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.421 -20.158 -5.024 1.00 0.00 H new ATOM 0 HG SER A 92 111.639 -18.520 -6.531 1.00 0.00 H new ATOM 1499 N ILE A 93 111.289 -19.399 -1.827 1.00 0.00 N ATOM 1500 CA ILE A 93 111.737 -19.391 -0.431 1.00 0.00 C ATOM 1501 C ILE A 93 111.444 -20.748 0.226 1.00 0.00 C ATOM 1502 O ILE A 93 112.081 -21.140 1.196 1.00 0.00 O ATOM 1503 CB ILE A 93 111.104 -18.216 0.372 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.761 -18.060 1.751 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.608 -18.371 0.494 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.238 -17.696 1.660 1.00 0.00 C ATOM 0 H ILE A 93 110.468 -18.823 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 93 112.815 -19.230 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 93 111.294 -17.301 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.235 -17.289 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.654 -18.991 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.200 -17.533 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.162 -18.388 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.380 -19.303 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.651 -17.598 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.773 -18.478 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.348 -16.750 1.129 1.00 0.00 H new ATOM 1518 N THR A 94 110.479 -21.442 -0.349 1.00 0.00 N ATOM 1519 CA THR A 94 110.113 -22.811 0.008 1.00 0.00 C ATOM 1520 C THR A 94 111.321 -23.789 -0.194 1.00 0.00 C ATOM 1521 O THR A 94 111.366 -24.883 0.389 1.00 0.00 O ATOM 1522 CB THR A 94 108.892 -23.258 -0.871 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.477 -24.592 -0.578 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.207 -23.139 -2.356 1.00 0.00 C ATOM 0 H THR A 94 109.907 -21.061 -1.102 1.00 0.00 H new ATOM 0 HA THR A 94 109.838 -22.843 1.062 1.00 0.00 H new ATOM 0 HB THR A 94 108.073 -22.583 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.714 -24.829 -1.146 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.342 -23.456 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.446 -22.103 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.060 -23.773 -2.599 1.00 0.00 H new ATOM 1532 N GLN A 95 112.288 -23.371 -1.000 1.00 0.00 N ATOM 1533 CA GLN A 95 113.470 -24.148 -1.296 1.00 0.00 C ATOM 1534 C GLN A 95 114.630 -23.201 -1.668 1.00 0.00 C ATOM 1535 O GLN A 95 114.936 -22.983 -2.839 1.00 0.00 O ATOM 1536 CB GLN A 95 113.183 -25.190 -2.392 1.00 0.00 C ATOM 1537 CG GLN A 95 112.542 -24.624 -3.655 1.00 0.00 C ATOM 1538 CD GLN A 95 112.255 -25.689 -4.673 1.00 0.00 C ATOM 1539 OE1 GLN A 95 111.184 -26.288 -4.672 1.00 0.00 O ATOM 1540 NE2 GLN A 95 113.179 -25.932 -5.548 1.00 0.00 N ATOM 0 H GLN A 95 112.267 -22.467 -1.471 1.00 0.00 H new ATOM 0 HA GLN A 95 113.769 -24.709 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 95 114.118 -25.679 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 95 112.528 -25.959 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 95 111.614 -24.115 -3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 95 113.203 -23.876 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 95 114.058 -25.415 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 95 113.028 -26.641 -6.266 1.00 0.00 H new ATOM 1549 N PRO A 96 115.229 -22.563 -0.665 1.00 0.00 N ATOM 1550 CA PRO A 96 116.257 -21.555 -0.882 1.00 0.00 C ATOM 1551 C PRO A 96 117.641 -22.133 -1.184 1.00 0.00 C ATOM 1552 O PRO A 96 117.957 -23.273 -0.833 1.00 0.00 O ATOM 1553 CB PRO A 96 116.272 -20.802 0.440 1.00 0.00 C ATOM 1554 CG PRO A 96 115.884 -21.819 1.460 1.00 0.00 C ATOM 1555 CD PRO A 96 114.950 -22.769 0.771 1.00 0.00 C ATOM 0 HA PRO A 96 116.035 -20.942 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.259 -20.388 0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.572 -19.967 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.761 -22.343 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.399 -21.347 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.137 -23.800 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.909 -22.551 1.011 1.00 0.00 H new ATOM 1563 N THR A 97 118.451 -21.346 -1.833 1.00 0.00 N ATOM 1564 CA THR A 97 119.806 -21.709 -2.158 1.00 0.00 C ATOM 1565 C THR A 97 120.770 -20.722 -1.504 1.00 0.00 C ATOM 1566 O THR A 97 120.337 -19.867 -0.731 1.00 0.00 O ATOM 1567 CB THR A 97 119.988 -21.695 -3.681 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.397 -20.502 -4.218 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.355 -22.914 -4.306 1.00 0.00 C ATOM 0 H THR A 97 118.186 -20.416 -2.158 1.00 0.00 H new ATOM 0 HA THR A 97 120.017 -22.711 -1.784 1.00 0.00 H new ATOM 0 HB THR A 97 121.053 -21.711 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.513 -20.489 -5.191 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.496 -22.884 -5.386 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.822 -23.813 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.289 -22.927 -4.079 1.00 0.00 H new ATOM 1577 N LEU A 98 122.054 -20.823 -1.827 1.00 0.00 N ATOM 1578 CA LEU A 98 123.075 -19.906 -1.286 1.00 0.00 C ATOM 1579 C LEU A 98 122.805 -18.520 -1.831 1.00 0.00 C ATOM 1580 O LEU A 98 122.907 -17.517 -1.145 1.00 0.00 O ATOM 1581 CB LEU A 98 124.517 -20.329 -1.696 1.00 0.00 C ATOM 1582 CG LEU A 98 125.077 -21.663 -1.161 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.035 -21.710 0.347 1.00 0.00 C ATOM 1584 CD2 LEU A 98 124.379 -22.869 -1.773 1.00 0.00 C ATOM 0 H LEU A 98 122.423 -21.530 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 98 123.014 -19.931 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.553 -20.368 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.196 -19.536 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 98 126.121 -21.714 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.436 -22.663 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 98 125.634 -20.895 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.004 -21.606 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 98 124.808 -23.784 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 98 123.315 -22.831 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 98 124.513 -22.857 -2.855 1.00 0.00 H new ATOM 1596 N HIS A 99 122.442 -18.493 -3.080 1.00 0.00 N ATOM 1597 CA HIS A 99 122.088 -17.283 -3.765 1.00 0.00 C ATOM 1598 C HIS A 99 120.580 -17.204 -3.900 1.00 0.00 C ATOM 1599 O HIS A 99 120.039 -16.947 -4.969 1.00 0.00 O ATOM 1600 CB HIS A 99 122.792 -17.200 -5.128 1.00 0.00 C ATOM 1601 CG HIS A 99 124.251 -16.869 -5.026 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.771 -15.659 -5.414 1.00 0.00 N ATOM 1603 CD2 HIS A 99 125.297 -17.581 -4.543 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.058 -15.629 -5.162 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.401 -16.782 -4.638 1.00 0.00 N ATOM 0 H HIS A 99 122.382 -19.328 -3.663 1.00 0.00 H new ATOM 0 HA HIS A 99 122.425 -16.425 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.679 -18.152 -5.646 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.298 -16.444 -5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.237 -14.898 -5.835 1.00 0.00 H new ATOM 0 HD2 HIS A 99 125.264 -18.589 -4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.721 -14.798 -5.353 1.00 0.00 H new ATOM 1614 N SER A 100 119.914 -17.403 -2.785 1.00 0.00 N ATOM 1615 CA SER A 100 118.472 -17.367 -2.702 1.00 0.00 C ATOM 1616 C SER A 100 117.933 -15.974 -2.988 1.00 0.00 C ATOM 1617 O SER A 100 116.865 -15.811 -3.598 1.00 0.00 O ATOM 1618 CB SER A 100 118.064 -17.842 -1.316 1.00 0.00 C ATOM 1619 OG SER A 100 118.975 -17.341 -0.359 1.00 0.00 O ATOM 0 H SER A 100 120.369 -17.598 -1.893 1.00 0.00 H new ATOM 0 HA SER A 100 118.045 -18.025 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.054 -17.502 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 100 118.048 -18.931 -1.283 1.00 0.00 H new ATOM 0 HG SER A 100 118.693 -16.446 -0.077 1.00 0.00 H new ATOM 1625 N PHE A 101 118.684 -14.983 -2.564 1.00 0.00 N ATOM 1626 CA PHE A 101 118.318 -13.603 -2.749 1.00 0.00 C ATOM 1627 C PHE A 101 119.262 -12.965 -3.758 1.00 0.00 C ATOM 1628 O PHE A 101 119.434 -11.769 -3.760 1.00 0.00 O ATOM 1629 CB PHE A 101 118.426 -12.849 -1.410 1.00 0.00 C ATOM 1630 CG PHE A 101 117.681 -13.485 -0.268 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.310 -13.357 -0.153 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.365 -14.209 0.698 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.634 -13.941 0.900 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.692 -14.793 1.749 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.325 -14.657 1.846 1.00 0.00 C ATOM 0 H PHE A 101 119.571 -15.116 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 101 117.292 -13.549 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.479 -12.767 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.053 -11.834 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.762 -12.795 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.437 -14.316 0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.562 -13.835 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.235 -15.356 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.795 -15.115 2.668 1.00 0.00 H new ATOM 1645 N ASP A 102 119.821 -13.779 -4.653 1.00 0.00 N ATOM 1646 CA ASP A 102 120.822 -13.324 -5.656 1.00 0.00 C ATOM 1647 C ASP A 102 120.310 -12.165 -6.499 1.00 0.00 C ATOM 1648 O ASP A 102 121.004 -11.156 -6.685 1.00 0.00 O ATOM 1649 CB ASP A 102 121.202 -14.466 -6.590 1.00 0.00 C ATOM 1650 CG ASP A 102 122.268 -14.077 -7.588 1.00 0.00 C ATOM 1651 OD1 ASP A 102 121.940 -13.599 -8.691 1.00 0.00 O ATOM 1652 OD2 ASP A 102 123.463 -14.272 -7.291 1.00 0.00 O ATOM 0 H ASP A 102 119.603 -14.773 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 102 121.692 -12.988 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.555 -15.311 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.314 -14.802 -7.126 1.00 0.00 H new ATOM 1657 N ALA A 103 119.089 -12.301 -6.980 1.00 0.00 N ATOM 1658 CA ALA A 103 118.482 -11.284 -7.817 1.00 0.00 C ATOM 1659 C ALA A 103 118.245 -10.028 -7.014 1.00 0.00 C ATOM 1660 O ALA A 103 118.477 -8.915 -7.475 1.00 0.00 O ATOM 1661 CB ALA A 103 117.175 -11.789 -8.414 1.00 0.00 C ATOM 0 H ALA A 103 118.495 -13.111 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 103 119.164 -11.055 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 103 116.736 -11.011 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.370 -12.674 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.483 -12.044 -7.611 1.00 0.00 H new ATOM 1667 N ALA A 104 117.860 -10.227 -5.778 1.00 0.00 N ATOM 1668 CA ALA A 104 117.540 -9.147 -4.881 1.00 0.00 C ATOM 1669 C ALA A 104 118.800 -8.445 -4.402 1.00 0.00 C ATOM 1670 O ALA A 104 118.786 -7.244 -4.125 1.00 0.00 O ATOM 1671 CB ALA A 104 116.704 -9.673 -3.740 1.00 0.00 C ATOM 0 H ALA A 104 117.759 -11.153 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 104 116.953 -8.396 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.461 -8.856 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.783 -10.105 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.263 -10.439 -3.202 1.00 0.00 H new ATOM 1677 N GLN A 105 119.876 -9.202 -4.336 1.00 0.00 N ATOM 1678 CA GLN A 105 121.194 -8.712 -4.001 1.00 0.00 C ATOM 1679 C GLN A 105 121.561 -7.669 -5.060 1.00 0.00 C ATOM 1680 O GLN A 105 121.925 -6.538 -4.739 1.00 0.00 O ATOM 1681 CB GLN A 105 122.179 -9.927 -4.009 1.00 0.00 C ATOM 1682 CG GLN A 105 123.558 -9.722 -3.367 1.00 0.00 C ATOM 1683 CD GLN A 105 124.466 -8.763 -4.099 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.409 -8.643 -5.318 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.300 -8.075 -3.366 1.00 0.00 N ATOM 0 H GLN A 105 119.855 -10.205 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 105 121.239 -8.250 -3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.691 -10.759 -3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.331 -10.230 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.418 -9.360 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.057 -10.689 -3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.316 -8.204 -2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.935 -7.409 -3.805 1.00 0.00 H new ATOM 1694 N SER A 106 121.384 -8.051 -6.317 1.00 0.00 N ATOM 1695 CA SER A 106 121.645 -7.175 -7.437 1.00 0.00 C ATOM 1696 C SER A 106 120.684 -5.970 -7.414 1.00 0.00 C ATOM 1697 O SER A 106 121.116 -4.823 -7.582 1.00 0.00 O ATOM 1698 CB SER A 106 121.529 -7.964 -8.760 1.00 0.00 C ATOM 1699 OG SER A 106 121.771 -7.139 -9.900 1.00 0.00 O ATOM 0 H SER A 106 121.055 -8.979 -6.583 1.00 0.00 H new ATOM 0 HA SER A 106 122.661 -6.788 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 106 122.241 -8.790 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.534 -8.402 -8.835 1.00 0.00 H new ATOM 0 HG SER A 106 121.690 -7.676 -10.716 1.00 0.00 H new ATOM 1705 N ARG A 107 119.396 -6.239 -7.155 1.00 0.00 N ATOM 1706 CA ARG A 107 118.366 -5.205 -7.102 1.00 0.00 C ATOM 1707 C ARG A 107 118.676 -4.116 -6.108 1.00 0.00 C ATOM 1708 O ARG A 107 118.697 -2.958 -6.461 1.00 0.00 O ATOM 1709 CB ARG A 107 116.997 -5.790 -6.813 1.00 0.00 C ATOM 1710 CG ARG A 107 116.416 -6.615 -7.933 1.00 0.00 C ATOM 1711 CD ARG A 107 116.293 -5.797 -9.198 1.00 0.00 C ATOM 1712 NE ARG A 107 115.695 -6.551 -10.302 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.540 -6.079 -11.544 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.033 -4.888 -11.877 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.934 -6.818 -12.453 1.00 0.00 N ATOM 0 H ARG A 107 119.045 -7.180 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 107 118.356 -4.753 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.063 -6.411 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.309 -4.975 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.049 -7.483 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.435 -6.991 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.688 -4.913 -8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.281 -5.446 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 107 115.375 -7.500 -10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 107 116.532 -4.331 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 107 115.912 -4.533 -12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.586 -7.745 -12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.813 -6.463 -13.401 1.00 0.00 H new ATOM 1729 N VAL A 108 118.955 -4.485 -4.885 1.00 0.00 N ATOM 1730 CA VAL A 108 119.227 -3.504 -3.848 1.00 0.00 C ATOM 1731 C VAL A 108 120.541 -2.779 -4.103 1.00 0.00 C ATOM 1732 O VAL A 108 120.676 -1.586 -3.818 1.00 0.00 O ATOM 1733 CB VAL A 108 119.182 -4.137 -2.454 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.564 -3.136 -1.382 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.786 -4.648 -2.207 1.00 0.00 C ATOM 0 H VAL A 108 119.002 -5.456 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 108 118.436 -2.755 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 108 119.901 -4.955 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.522 -3.616 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.576 -2.774 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.869 -2.297 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.735 -5.103 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.080 -3.819 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.532 -5.392 -2.962 1.00 0.00 H new ATOM 1745 N TYR A 109 121.481 -3.484 -4.666 1.00 0.00 N ATOM 1746 CA TYR A 109 122.737 -2.906 -5.067 1.00 0.00 C ATOM 1747 C TYR A 109 122.503 -1.764 -6.086 1.00 0.00 C ATOM 1748 O TYR A 109 122.911 -0.627 -5.855 1.00 0.00 O ATOM 1749 CB TYR A 109 123.637 -4.017 -5.629 1.00 0.00 C ATOM 1750 CG TYR A 109 124.813 -3.560 -6.449 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.663 -3.334 -7.806 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.059 -3.366 -5.884 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.697 -2.927 -8.580 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.123 -2.950 -6.657 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.937 -2.731 -8.005 1.00 0.00 C ATOM 1756 OH TYR A 109 127.994 -2.333 -8.782 1.00 0.00 O ATOM 0 H TYR A 109 121.399 -4.482 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 109 123.241 -2.461 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.010 -4.612 -4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.025 -4.677 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.695 -3.486 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.201 -3.542 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.553 -2.757 -9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.094 -2.797 -6.210 1.00 0.00 H new ATOM 0 HH TYR A 109 128.620 -1.809 -8.240 1.00 0.00 H new ATOM 1766 N GLN A 110 121.794 -2.057 -7.171 1.00 0.00 N ATOM 1767 CA GLN A 110 121.545 -1.054 -8.209 1.00 0.00 C ATOM 1768 C GLN A 110 120.602 0.024 -7.698 1.00 0.00 C ATOM 1769 O GLN A 110 120.712 1.194 -8.067 1.00 0.00 O ATOM 1770 CB GLN A 110 121.010 -1.684 -9.496 1.00 0.00 C ATOM 1771 CG GLN A 110 119.829 -2.595 -9.284 1.00 0.00 C ATOM 1772 CD GLN A 110 119.095 -2.971 -10.552 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.880 -3.220 -10.530 1.00 0.00 O ATOM 1774 NE2 GLN A 110 119.795 -3.018 -11.654 1.00 0.00 N ATOM 0 H GLN A 110 121.383 -2.972 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 110 122.501 -0.590 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.725 -0.890 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.811 -2.249 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 110 120.172 -3.506 -8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.129 -2.110 -8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 110 120.793 -2.807 -11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 110 119.344 -3.266 -12.535 1.00 0.00 H new ATOM 1783 N LEU A 111 119.696 -0.389 -6.834 1.00 0.00 N ATOM 1784 CA LEU A 111 118.771 0.481 -6.149 1.00 0.00 C ATOM 1785 C LEU A 111 119.537 1.561 -5.411 1.00 0.00 C ATOM 1786 O LEU A 111 119.353 2.748 -5.662 1.00 0.00 O ATOM 1787 CB LEU A 111 117.991 -0.352 -5.147 1.00 0.00 C ATOM 1788 CG LEU A 111 117.049 0.368 -4.222 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.840 0.897 -4.974 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.661 -0.550 -3.085 1.00 0.00 C ATOM 0 H LEU A 111 119.583 -1.371 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 111 118.096 0.949 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.415 -1.092 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.708 -0.899 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 111 117.552 1.238 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.177 1.413 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.168 1.592 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.307 0.066 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.978 -0.029 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 111 116.170 -1.437 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.554 -0.846 -2.535 1.00 0.00 H new ATOM 1802 N MET A 112 120.434 1.140 -4.538 1.00 0.00 N ATOM 1803 CA MET A 112 121.220 2.071 -3.756 1.00 0.00 C ATOM 1804 C MET A 112 122.124 2.892 -4.630 1.00 0.00 C ATOM 1805 O MET A 112 122.371 4.043 -4.336 1.00 0.00 O ATOM 1806 CB MET A 112 122.015 1.378 -2.665 1.00 0.00 C ATOM 1807 CG MET A 112 121.161 0.740 -1.588 1.00 0.00 C ATOM 1808 SD MET A 112 122.148 -0.051 -0.321 1.00 0.00 S ATOM 1809 CE MET A 112 123.057 -1.210 -1.321 1.00 0.00 C ATOM 0 H MET A 112 120.635 0.157 -4.354 1.00 0.00 H new ATOM 0 HA MET A 112 120.513 2.742 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.642 0.610 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.684 2.103 -2.201 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.528 1.501 -1.131 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.498 0.004 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.215 -2.130 -0.759 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.492 -1.430 -2.227 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.022 -0.780 -1.591 1.00 0.00 H new ATOM 1819 N GLU A 113 122.583 2.300 -5.716 1.00 0.00 N ATOM 1820 CA GLU A 113 123.422 2.978 -6.687 1.00 0.00 C ATOM 1821 C GLU A 113 122.667 4.202 -7.247 1.00 0.00 C ATOM 1822 O GLU A 113 123.013 5.354 -6.934 1.00 0.00 O ATOM 1823 CB GLU A 113 123.832 1.962 -7.795 1.00 0.00 C ATOM 1824 CG GLU A 113 124.887 2.406 -8.823 1.00 0.00 C ATOM 1825 CD GLU A 113 124.398 3.412 -9.843 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.505 3.068 -10.657 1.00 0.00 O ATOM 1827 OE2 GLU A 113 124.937 4.527 -9.902 1.00 0.00 O ATOM 0 H GLU A 113 122.383 1.328 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 113 124.337 3.349 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.202 1.062 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.931 1.680 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 113 125.736 2.834 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.253 1.525 -9.350 1.00 0.00 H new ATOM 1834 N GLN A 114 121.568 3.952 -7.944 1.00 0.00 N ATOM 1835 CA GLN A 114 120.829 5.026 -8.606 1.00 0.00 C ATOM 1836 C GLN A 114 120.064 5.951 -7.659 1.00 0.00 C ATOM 1837 O GLN A 114 119.554 6.991 -8.078 1.00 0.00 O ATOM 1838 CB GLN A 114 119.952 4.497 -9.774 1.00 0.00 C ATOM 1839 CG GLN A 114 118.909 3.398 -9.467 1.00 0.00 C ATOM 1840 CD GLN A 114 117.644 3.873 -8.756 1.00 0.00 C ATOM 1841 OE1 GLN A 114 116.684 4.285 -9.395 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.600 3.767 -7.464 1.00 0.00 N ATOM 0 H GLN A 114 121.167 3.022 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 114 121.593 5.668 -9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.423 5.347 -10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.621 4.115 -10.545 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.621 2.923 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 114 119.384 2.632 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 114 118.412 3.421 -6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.753 4.029 -6.959 1.00 0.00 H new ATOM 1851 N ASP A 115 120.007 5.606 -6.392 1.00 0.00 N ATOM 1852 CA ASP A 115 119.262 6.425 -5.451 1.00 0.00 C ATOM 1853 C ASP A 115 120.153 7.096 -4.414 1.00 0.00 C ATOM 1854 O ASP A 115 120.081 8.308 -4.215 1.00 0.00 O ATOM 1855 CB ASP A 115 118.168 5.614 -4.754 1.00 0.00 C ATOM 1856 CG ASP A 115 117.299 6.459 -3.851 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.504 7.262 -4.362 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.397 6.336 -2.607 1.00 0.00 O ATOM 0 H ASP A 115 120.456 4.782 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 115 118.799 7.215 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.543 5.133 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.629 4.819 -4.168 1.00 0.00 H new ATOM 1863 N SER A 116 120.990 6.339 -3.757 1.00 0.00 N ATOM 1864 CA SER A 116 121.765 6.872 -2.658 1.00 0.00 C ATOM 1865 C SER A 116 123.260 7.039 -2.978 1.00 0.00 C ATOM 1866 O SER A 116 123.934 7.801 -2.315 1.00 0.00 O ATOM 1867 CB SER A 116 121.560 5.995 -1.418 1.00 0.00 C ATOM 1868 OG SER A 116 120.167 5.873 -1.118 1.00 0.00 O ATOM 0 H SER A 116 121.156 5.353 -3.959 1.00 0.00 H new ATOM 0 HA SER A 116 121.398 7.880 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 116 121.990 5.008 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.085 6.429 -0.567 1.00 0.00 H new ATOM 0 HG SER A 116 120.051 5.309 -0.325 1.00 0.00 H new ATOM 1874 N TYR A 117 123.764 6.365 -4.006 1.00 0.00 N ATOM 1875 CA TYR A 117 125.195 6.409 -4.338 1.00 0.00 C ATOM 1876 C TYR A 117 125.588 7.756 -4.901 1.00 0.00 C ATOM 1877 O TYR A 117 126.653 8.287 -4.591 1.00 0.00 O ATOM 1878 CB TYR A 117 125.527 5.252 -5.278 1.00 0.00 C ATOM 1879 CG TYR A 117 126.871 5.266 -5.972 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.070 5.426 -5.284 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.925 5.099 -7.342 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.275 5.417 -5.964 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.112 5.087 -8.016 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.279 5.243 -7.337 1.00 0.00 C ATOM 1885 OH TYR A 117 130.458 5.239 -8.031 1.00 0.00 O ATOM 0 H TYR A 117 123.207 5.779 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 117 125.786 6.286 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.455 4.326 -4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.755 5.213 -6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.060 5.558 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.005 4.975 -7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.204 5.545 -5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.124 4.954 -9.088 1.00 0.00 H new ATOM 0 HH TYR A 117 131.204 5.370 -7.409 1.00 0.00 H new ATOM 1895 N THR A 118 124.713 8.315 -5.671 1.00 0.00 N ATOM 1896 CA THR A 118 124.907 9.625 -6.228 1.00 0.00 C ATOM 1897 C THR A 118 124.911 10.673 -5.101 1.00 0.00 C ATOM 1898 O THR A 118 125.808 11.541 -5.010 1.00 0.00 O ATOM 1899 CB THR A 118 123.787 9.883 -7.227 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.542 9.444 -6.636 1.00 0.00 O ATOM 1901 CG2 THR A 118 124.041 9.097 -8.499 1.00 0.00 C ATOM 0 H THR A 118 123.832 7.875 -5.937 1.00 0.00 H new ATOM 0 HA THR A 118 125.866 9.693 -6.741 1.00 0.00 H new ATOM 0 HB THR A 118 123.742 10.945 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.807 9.604 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 118 123.237 9.285 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.991 9.407 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 118 124.079 8.033 -8.268 1.00 0.00 H new ATOM 1909 N ARG A 119 123.930 10.547 -4.215 1.00 0.00 N ATOM 1910 CA ARG A 119 123.835 11.391 -3.035 1.00 0.00 C ATOM 1911 C ARG A 119 125.070 11.222 -2.161 1.00 0.00 C ATOM 1912 O ARG A 119 125.613 12.197 -1.635 1.00 0.00 O ATOM 1913 CB ARG A 119 122.581 11.078 -2.231 1.00 0.00 C ATOM 1914 CG ARG A 119 121.276 11.523 -2.868 1.00 0.00 C ATOM 1915 CD ARG A 119 120.099 11.145 -1.983 1.00 0.00 C ATOM 1916 NE ARG A 119 120.264 11.649 -0.608 1.00 0.00 N ATOM 1917 CZ ARG A 119 120.141 10.913 0.507 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.741 9.655 0.441 1.00 0.00 N ATOM 1919 NH2 ARG A 119 120.381 11.459 1.693 1.00 0.00 N ATOM 0 H ARG A 119 123.182 9.859 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 119 123.774 12.426 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.536 10.002 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.669 11.550 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.290 12.602 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.166 11.060 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.180 11.547 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.993 10.060 -1.962 1.00 0.00 H new ATOM 0 HE ARG A 119 120.490 12.637 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.523 9.236 -0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.650 9.103 1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 119 120.659 12.438 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 119 120.287 10.899 2.541 1.00 0.00 H new ATOM 1933 N PHE A 120 125.511 9.985 -2.023 1.00 0.00 N ATOM 1934 CA PHE A 120 126.711 9.659 -1.291 1.00 0.00 C ATOM 1935 C PHE A 120 127.889 10.401 -1.867 1.00 0.00 C ATOM 1936 O PHE A 120 128.595 11.059 -1.145 1.00 0.00 O ATOM 1937 CB PHE A 120 126.973 8.143 -1.283 1.00 0.00 C ATOM 1938 CG PHE A 120 128.335 7.762 -0.763 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.634 7.843 0.585 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.322 7.337 -1.640 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.890 7.507 1.043 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.573 6.999 -1.185 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.859 7.085 0.158 1.00 0.00 C ATOM 0 H PHE A 120 125.038 9.174 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 120 126.570 9.971 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.212 7.656 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.862 7.759 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.878 8.172 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.104 7.271 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.115 7.574 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.330 6.667 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.842 6.822 0.519 1.00 0.00 H new ATOM 1953 N LEU A 121 128.051 10.345 -3.172 1.00 0.00 N ATOM 1954 CA LEU A 121 129.158 11.018 -3.833 1.00 0.00 C ATOM 1955 C LEU A 121 129.111 12.526 -3.682 1.00 0.00 C ATOM 1956 O LEU A 121 130.122 13.202 -3.865 1.00 0.00 O ATOM 1957 CB LEU A 121 129.262 10.626 -5.300 1.00 0.00 C ATOM 1958 CG LEU A 121 129.664 9.184 -5.564 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.731 8.922 -7.054 1.00 0.00 C ATOM 1960 CD2 LEU A 121 131.004 8.881 -4.903 1.00 0.00 C ATOM 0 H LEU A 121 127.429 9.839 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 121 130.059 10.677 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.299 10.810 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.987 11.281 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 121 128.911 8.524 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 121 130.020 7.886 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.754 9.106 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.468 9.585 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 121 131.281 7.845 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.768 9.544 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.923 9.037 -3.827 1.00 0.00 H new ATOM 1972 N LYS A 122 127.963 13.067 -3.361 1.00 0.00 N ATOM 1973 CA LYS A 122 127.898 14.484 -3.146 1.00 0.00 C ATOM 1974 C LYS A 122 127.556 14.824 -1.674 1.00 0.00 C ATOM 1975 O LYS A 122 127.189 15.961 -1.356 1.00 0.00 O ATOM 1976 CB LYS A 122 126.923 15.133 -4.135 1.00 0.00 C ATOM 1977 CG LYS A 122 127.198 16.620 -4.393 1.00 0.00 C ATOM 1978 CD LYS A 122 128.621 16.836 -4.937 1.00 0.00 C ATOM 1979 CE LYS A 122 128.844 16.052 -6.227 1.00 0.00 C ATOM 1980 NZ LYS A 122 130.218 16.185 -6.767 1.00 0.00 N ATOM 0 H LYS A 122 127.084 12.562 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 122 128.886 14.904 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.970 14.595 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.907 15.022 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.470 17.009 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 122 127.070 17.182 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.786 17.898 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.350 16.525 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.634 14.998 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.132 16.393 -6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.302 15.629 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 130.415 17.185 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 130.902 15.834 -6.066 1.00 0.00 H new ATOM 1994 N SER A 123 127.677 13.851 -0.779 1.00 0.00 N ATOM 1995 CA SER A 123 127.463 14.104 0.631 1.00 0.00 C ATOM 1996 C SER A 123 128.713 14.731 1.247 1.00 0.00 C ATOM 1997 O SER A 123 129.832 14.511 0.751 1.00 0.00 O ATOM 1998 CB SER A 123 127.143 12.790 1.354 1.00 0.00 C ATOM 1999 OG SER A 123 128.239 11.878 1.296 1.00 0.00 O ATOM 0 H SER A 123 127.921 12.887 -1.007 1.00 0.00 H new ATOM 0 HA SER A 123 126.625 14.792 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.897 12.998 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.263 12.331 0.903 1.00 0.00 H new ATOM 0 HG SER A 123 128.209 11.384 0.450 1.00 0.00 H new ATOM 2005 N ASP A 124 128.538 15.490 2.328 1.00 0.00 N ATOM 2006 CA ASP A 124 129.668 16.068 3.076 1.00 0.00 C ATOM 2007 C ASP A 124 130.553 14.938 3.590 1.00 0.00 C ATOM 2008 O ASP A 124 131.757 15.107 3.775 1.00 0.00 O ATOM 2009 CB ASP A 124 129.165 16.943 4.242 1.00 0.00 C ATOM 2010 CG ASP A 124 130.275 17.557 5.085 1.00 0.00 C ATOM 2011 OD1 ASP A 124 130.891 18.551 4.649 1.00 0.00 O ATOM 2012 OD2 ASP A 124 130.529 17.072 6.212 1.00 0.00 O ATOM 0 H ASP A 124 127.622 15.723 2.712 1.00 0.00 H new ATOM 0 HA ASP A 124 130.249 16.709 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 124 128.545 17.744 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 124 128.527 16.338 4.886 1.00 0.00 H new ATOM 2017 N ILE A 125 129.931 13.782 3.811 1.00 0.00 N ATOM 2018 CA ILE A 125 130.617 12.541 4.143 1.00 0.00 C ATOM 2019 C ILE A 125 131.699 12.216 3.093 1.00 0.00 C ATOM 2020 O ILE A 125 132.899 12.151 3.415 1.00 0.00 O ATOM 2021 CB ILE A 125 129.581 11.367 4.275 1.00 0.00 C ATOM 2022 CG1 ILE A 125 128.916 11.377 5.662 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.159 9.996 3.907 1.00 0.00 C ATOM 2024 CD1 ILE A 125 127.840 10.327 5.854 1.00 0.00 C ATOM 0 H ILE A 125 128.917 13.683 3.763 1.00 0.00 H new ATOM 0 HA ILE A 125 131.117 12.664 5.104 1.00 0.00 H new ATOM 0 HB ILE A 125 128.804 11.548 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 125 129.686 11.232 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 125 128.480 12.361 5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.388 9.234 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.503 10.012 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.997 9.766 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 125 127.427 10.409 6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 125 127.047 10.481 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 125 128.271 9.335 5.718 1.00 0.00 H new ATOM 2036 N TYR A 126 131.283 12.062 1.850 1.00 0.00 N ATOM 2037 CA TYR A 126 132.198 11.728 0.776 1.00 0.00 C ATOM 2038 C TYR A 126 133.151 12.869 0.484 1.00 0.00 C ATOM 2039 O TYR A 126 134.346 12.650 0.256 1.00 0.00 O ATOM 2040 CB TYR A 126 131.447 11.329 -0.476 1.00 0.00 C ATOM 2041 CG TYR A 126 132.329 10.947 -1.630 1.00 0.00 C ATOM 2042 CD1 TYR A 126 132.846 9.671 -1.735 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.654 11.870 -2.606 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.655 9.315 -2.778 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.454 11.534 -3.656 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.953 10.259 -3.746 1.00 0.00 C ATOM 2047 OH TYR A 126 134.746 9.925 -4.812 1.00 0.00 O ATOM 0 H TYR A 126 130.311 12.164 1.558 1.00 0.00 H new ATOM 0 HA TYR A 126 132.789 10.874 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.792 10.490 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.807 12.157 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 126 132.606 8.939 -0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 126 132.267 12.876 -2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.055 8.314 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.694 12.266 -4.413 1.00 0.00 H new ATOM 0 HH TYR A 126 135.018 8.987 -4.736 1.00 0.00 H new ATOM 2057 N LEU A 127 132.642 14.077 0.503 1.00 0.00 N ATOM 2058 CA LEU A 127 133.479 15.227 0.273 1.00 0.00 C ATOM 2059 C LEU A 127 134.579 15.336 1.335 1.00 0.00 C ATOM 2060 O LEU A 127 135.687 15.735 1.031 1.00 0.00 O ATOM 2061 CB LEU A 127 132.663 16.531 0.122 1.00 0.00 C ATOM 2062 CG LEU A 127 132.109 16.867 -1.279 1.00 0.00 C ATOM 2063 CD1 LEU A 127 133.228 17.004 -2.291 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.090 15.851 -1.752 1.00 0.00 C ATOM 0 H LEU A 127 131.659 14.288 0.674 1.00 0.00 H new ATOM 0 HA LEU A 127 133.976 15.079 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.822 16.483 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.293 17.361 0.443 1.00 0.00 H new ATOM 0 HG LEU A 127 131.598 17.826 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 127 132.808 17.241 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.902 17.803 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.781 16.067 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 127 130.730 16.131 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 127 131.554 14.866 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 127 130.252 15.824 -1.055 1.00 0.00 H new ATOM 2076 N ASP A 128 134.289 14.890 2.561 1.00 0.00 N ATOM 2077 CA ASP A 128 135.291 14.890 3.643 1.00 0.00 C ATOM 2078 C ASP A 128 136.313 13.774 3.441 1.00 0.00 C ATOM 2079 O ASP A 128 137.451 13.869 3.915 1.00 0.00 O ATOM 2080 CB ASP A 128 134.639 14.775 5.025 1.00 0.00 C ATOM 2081 CG ASP A 128 135.643 14.804 6.169 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.249 15.871 6.427 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.850 13.764 6.827 1.00 0.00 O ATOM 0 H ASP A 128 133.376 14.526 2.833 1.00 0.00 H new ATOM 0 HA ASP A 128 135.809 15.848 3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.929 15.592 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.069 13.847 5.074 1.00 0.00 H new ATOM 2088 N LEU A 129 135.913 12.709 2.722 1.00 0.00 N ATOM 2089 CA LEU A 129 136.856 11.631 2.363 1.00 0.00 C ATOM 2090 C LEU A 129 137.931 12.231 1.483 1.00 0.00 C ATOM 2091 O LEU A 129 139.103 11.856 1.556 1.00 0.00 O ATOM 2092 CB LEU A 129 136.170 10.476 1.614 1.00 0.00 C ATOM 2093 CG LEU A 129 134.925 9.898 2.281 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.261 8.908 1.366 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.281 9.235 3.598 1.00 0.00 C ATOM 0 H LEU A 129 134.961 12.571 2.383 1.00 0.00 H new ATOM 0 HA LEU A 129 137.272 11.214 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.897 10.825 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 129 136.895 9.672 1.482 1.00 0.00 H new ATOM 0 HG LEU A 129 134.232 10.715 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.374 8.502 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 129 133.972 9.405 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 129 134.955 8.098 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 129 134.379 8.830 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 129 135.991 8.428 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 129 135.729 9.970 4.266 1.00 0.00 H new ATOM 2107 N MET A 130 137.514 13.178 0.669 1.00 0.00 N ATOM 2108 CA MET A 130 138.425 13.960 -0.124 1.00 0.00 C ATOM 2109 C MET A 130 139.182 14.894 0.816 1.00 0.00 C ATOM 2110 O MET A 130 140.387 14.726 1.042 1.00 0.00 O ATOM 2111 CB MET A 130 137.659 14.757 -1.197 1.00 0.00 C ATOM 2112 CG MET A 130 136.955 13.881 -2.219 1.00 0.00 C ATOM 2113 SD MET A 130 138.123 12.794 -3.017 1.00 0.00 S ATOM 2114 CE MET A 130 136.988 11.807 -3.918 1.00 0.00 C ATOM 0 H MET A 130 136.532 13.424 0.542 1.00 0.00 H new ATOM 0 HA MET A 130 139.128 13.311 -0.646 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.922 15.394 -0.708 1.00 0.00 H new ATOM 0 HB3 MET A 130 138.356 15.416 -1.715 1.00 0.00 H new ATOM 0 HG2 MET A 130 136.178 13.294 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 130 136.462 14.505 -2.964 1.00 0.00 H new ATOM 0 HE1 MET A 130 137.510 10.952 -4.347 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.202 11.455 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.545 12.400 -4.718 1.00 0.00 H new