USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 730 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 112 THR OG1 : rot 51:sc= 1.12 USER MOD Set 1.2: A 116 ASN : amide:sc= 0.191 K(o=1.3,f=-2.2!) USER MOD Set 2.1: A 77 TYR OH : rot 180:sc= 0.844 USER MOD Set 2.2: A 125 ASN : amide:sc= 0.959 K(o=1.8,f=-1.8) USER MOD Single : A 54 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.9) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.722 K(o=0.72,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.173) USER MOD Single : A 75 ASN : amide:sc= 0.227 X(o=0.23,f=-0.085) USER MOD Single : A 78 TYR OH : rot -75:sc= 1.55 USER MOD Single : A 81 ASN :FLIP amide:sc= 0.936 F(o=0.34,f=0.94) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.973 K(o=0.97,f=-0.21) USER MOD Single : A 90 HIS : no HE2:sc= -0.0172 K(o=-0.017,f=-5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 142:sc= 1.08 USER MOD Single : A 110 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 117 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.31) USER MOD Single : A 122 LYS NZ :NH3+ -107:sc= 0.701 (180deg=0.0331) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 HIS :FLIP no HD1:sc= -0.563 F(o=-2.8,f=-0.56) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 137 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 141 SER OG : rot -120:sc= -1.37 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc= -3.05 K(o=-3,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 52 0.833 -15.947 -4.038 1.00 0.00 N ATOM 2 CA ALA A 52 1.199 -14.992 -5.087 1.00 0.00 C ATOM 3 C ALA A 52 1.021 -13.554 -4.624 1.00 0.00 C ATOM 4 O ALA A 52 1.531 -12.605 -5.220 1.00 0.00 O ATOM 5 CB ALA A 52 0.372 -15.270 -6.341 1.00 0.00 C ATOM 0 HA ALA A 52 2.256 -15.122 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.644 -14.559 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.568 -16.284 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.688 -15.165 -6.109 1.00 0.00 H new ATOM 11 N GLU A 53 0.294 -13.414 -3.528 1.00 0.00 N ATOM 12 CA GLU A 53 0.193 -12.246 -2.689 1.00 0.00 C ATOM 13 C GLU A 53 1.560 -11.798 -2.127 1.00 0.00 C ATOM 14 O GLU A 53 1.717 -10.632 -1.787 1.00 0.00 O ATOM 15 CB GLU A 53 -0.903 -12.498 -1.640 1.00 0.00 C ATOM 16 CG GLU A 53 -0.937 -13.894 -0.968 1.00 0.00 C ATOM 17 CD GLU A 53 -0.121 -13.878 0.317 1.00 0.00 C ATOM 18 OE1 GLU A 53 1.115 -13.924 0.173 1.00 0.00 O ATOM 19 OE2 GLU A 53 -0.724 -13.873 1.422 1.00 0.00 O ATOM 0 H GLU A 53 -0.284 -14.179 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.114 -11.380 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.798 -11.749 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.869 -12.329 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.967 -14.176 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.539 -14.644 -1.651 1.00 0.00 H new ATOM 26 N ASN A 54 2.602 -12.631 -2.201 1.00 0.00 N ATOM 27 CA ASN A 54 3.991 -12.232 -1.962 1.00 0.00 C ATOM 28 C ASN A 54 4.447 -11.055 -2.841 1.00 0.00 C ATOM 29 O ASN A 54 5.428 -10.392 -2.500 1.00 0.00 O ATOM 30 CB ASN A 54 4.922 -13.439 -2.178 1.00 0.00 C ATOM 31 CG ASN A 54 5.276 -13.705 -3.646 1.00 0.00 C ATOM 32 OD1 ASN A 54 6.068 -12.998 -4.267 1.00 0.00 O ATOM 33 ND2 ASN A 54 4.682 -14.723 -4.243 1.00 0.00 N ATOM 0 H ASN A 54 2.502 -13.619 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 54 4.047 -11.888 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.843 -13.278 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.447 -14.328 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.880 -14.925 -5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.026 -15.307 -3.724 1.00 0.00 H new ATOM 40 N ARG A 55 3.778 -10.813 -3.978 1.00 0.00 N ATOM 41 CA ARG A 55 4.185 -9.842 -4.992 1.00 0.00 C ATOM 42 C ARG A 55 4.416 -8.448 -4.427 1.00 0.00 C ATOM 43 O ARG A 55 3.702 -7.985 -3.533 1.00 0.00 O ATOM 44 CB ARG A 55 3.131 -9.780 -6.103 1.00 0.00 C ATOM 45 CG ARG A 55 3.390 -10.801 -7.205 1.00 0.00 C ATOM 46 CD ARG A 55 2.152 -10.890 -8.101 1.00 0.00 C ATOM 47 NE ARG A 55 2.409 -11.656 -9.328 1.00 0.00 N ATOM 48 CZ ARG A 55 1.710 -12.699 -9.793 1.00 0.00 C ATOM 49 NH1 ARG A 55 0.631 -13.144 -9.155 1.00 0.00 N ATOM 50 NH2 ARG A 55 2.073 -13.264 -10.934 1.00 0.00 N ATOM 0 H ARG A 55 2.917 -11.303 -4.220 1.00 0.00 H new ATOM 0 HA ARG A 55 5.140 -10.185 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.144 -9.954 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.119 -8.779 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.260 -10.508 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.612 -11.776 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.338 -11.357 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.823 -9.885 -8.364 1.00 0.00 H new ATOM 0 HE ARG A 55 3.209 -11.360 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.323 -12.689 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.112 -13.940 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.877 -12.904 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.549 -14.059 -11.299 1.00 0.00 H new ATOM 64 N PRO A 56 5.327 -7.690 -5.056 1.00 0.00 N ATOM 65 CA PRO A 56 5.519 -6.301 -4.734 1.00 0.00 C ATOM 66 C PRO A 56 4.278 -5.563 -5.225 1.00 0.00 C ATOM 67 O PRO A 56 4.088 -5.369 -6.424 1.00 0.00 O ATOM 68 CB PRO A 56 6.808 -5.896 -5.439 1.00 0.00 C ATOM 69 CG PRO A 56 6.856 -6.790 -6.669 1.00 0.00 C ATOM 70 CD PRO A 56 6.048 -8.029 -6.275 1.00 0.00 C ATOM 0 HA PRO A 56 5.626 -6.074 -3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.798 -4.841 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.677 -6.051 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.423 -6.294 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.882 -7.051 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.355 -8.308 -7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.705 -8.883 -6.111 1.00 0.00 H new ATOM 78 N GLY A 57 3.408 -5.184 -4.293 1.00 0.00 N ATOM 79 CA GLY A 57 2.166 -4.518 -4.624 1.00 0.00 C ATOM 80 C GLY A 57 0.987 -5.482 -4.715 1.00 0.00 C ATOM 81 O GLY A 57 -0.080 -5.031 -5.112 1.00 0.00 O ATOM 0 H GLY A 57 3.549 -5.332 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.953 -3.760 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.279 -3.998 -5.575 1.00 0.00 H new ATOM 85 N ALA A 58 1.117 -6.771 -4.385 1.00 0.00 N ATOM 86 CA ALA A 58 -0.054 -7.639 -4.337 1.00 0.00 C ATOM 87 C ALA A 58 -1.131 -7.070 -3.413 1.00 0.00 C ATOM 88 O ALA A 58 -0.815 -6.474 -2.376 1.00 0.00 O ATOM 89 CB ALA A 58 0.358 -9.027 -3.873 1.00 0.00 C ATOM 0 H ALA A 58 2.001 -7.224 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.477 -7.701 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.519 -9.674 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.087 -9.442 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.801 -8.962 -2.879 1.00 0.00 H new ATOM 95 N PHE A 59 -2.398 -7.276 -3.771 1.00 0.00 N ATOM 96 CA PHE A 59 -3.526 -6.891 -2.941 1.00 0.00 C ATOM 97 C PHE A 59 -3.756 -7.964 -1.865 1.00 0.00 C ATOM 98 O PHE A 59 -3.948 -9.126 -2.225 1.00 0.00 O ATOM 99 CB PHE A 59 -4.786 -6.746 -3.814 1.00 0.00 C ATOM 100 CG PHE A 59 -4.939 -5.498 -4.675 1.00 0.00 C ATOM 101 CD1 PHE A 59 -3.993 -4.457 -4.676 1.00 0.00 C ATOM 102 CD2 PHE A 59 -6.100 -5.351 -5.456 1.00 0.00 C ATOM 103 CE1 PHE A 59 -4.246 -3.268 -5.369 1.00 0.00 C ATOM 104 CE2 PHE A 59 -6.323 -4.180 -6.201 1.00 0.00 C ATOM 105 CZ PHE A 59 -5.412 -3.113 -6.119 1.00 0.00 C ATOM 0 H PHE A 59 -2.666 -7.717 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.316 -5.936 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.832 -7.611 -4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.653 -6.802 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.064 -4.576 -4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.829 -6.148 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.530 -2.461 -5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.193 -4.100 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.612 -2.183 -6.631 1.00 0.00 H new ATOM 115 N ILE A 60 -3.801 -7.587 -0.580 1.00 0.00 N ATOM 116 CA ILE A 60 -4.155 -8.484 0.535 1.00 0.00 C ATOM 117 C ILE A 60 -5.597 -8.982 0.378 1.00 0.00 C ATOM 118 O ILE A 60 -5.857 -10.175 0.495 1.00 0.00 O ATOM 119 CB ILE A 60 -3.926 -7.768 1.891 1.00 0.00 C ATOM 120 CG1 ILE A 60 -2.415 -7.548 2.123 1.00 0.00 C ATOM 121 CG2 ILE A 60 -4.554 -8.562 3.045 1.00 0.00 C ATOM 122 CD1 ILE A 60 -2.063 -6.702 3.349 1.00 0.00 C ATOM 0 H ILE A 60 -3.590 -6.636 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.506 -9.360 0.516 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.416 -6.795 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.933 -8.521 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.993 -7.071 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.379 -8.038 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.627 -8.659 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.103 -9.553 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.980 -6.605 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.510 -5.713 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.448 -7.185 4.247 1.00 0.00 H new ATOM 134 N LYS A 61 -6.527 -8.072 0.063 1.00 0.00 N ATOM 135 CA LYS A 61 -7.836 -8.400 -0.499 1.00 0.00 C ATOM 136 C LYS A 61 -8.680 -9.373 0.349 1.00 0.00 C ATOM 137 O LYS A 61 -8.822 -10.544 0.006 1.00 0.00 O ATOM 138 CB LYS A 61 -7.562 -8.871 -1.952 1.00 0.00 C ATOM 139 CG LYS A 61 -8.455 -8.276 -3.032 1.00 0.00 C ATOM 140 CD LYS A 61 -9.889 -8.762 -2.881 1.00 0.00 C ATOM 141 CE LYS A 61 -10.698 -8.576 -4.170 1.00 0.00 C ATOM 142 NZ LYS A 61 -11.075 -9.862 -4.796 1.00 0.00 N ATOM 0 H LYS A 61 -6.385 -7.071 0.195 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.484 -7.523 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.526 -8.638 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.661 -9.956 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.428 -7.188 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.075 -8.552 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.887 -9.816 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.372 -8.219 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.600 -8.006 -3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.115 -7.988 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.620 -9.680 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.216 -10.398 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.655 -10.414 -4.132 1.00 0.00 H new ATOM 156 N GLN A 62 -9.311 -8.868 1.419 1.00 0.00 N ATOM 157 CA GLN A 62 -10.105 -9.690 2.346 1.00 0.00 C ATOM 158 C GLN A 62 -11.623 -9.477 2.223 1.00 0.00 C ATOM 159 O GLN A 62 -12.405 -10.262 2.766 1.00 0.00 O ATOM 160 CB GLN A 62 -9.664 -9.436 3.794 1.00 0.00 C ATOM 161 CG GLN A 62 -8.165 -9.678 4.015 1.00 0.00 C ATOM 162 CD GLN A 62 -7.871 -10.099 5.449 1.00 0.00 C ATOM 163 OE1 GLN A 62 -8.179 -11.230 5.822 1.00 0.00 O ATOM 164 NE2 GLN A 62 -7.275 -9.241 6.258 1.00 0.00 N ATOM 0 H GLN A 62 -9.286 -7.879 1.667 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.913 -10.726 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.905 -8.408 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.233 -10.084 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.815 -10.450 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.611 -8.769 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.031 -8.309 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.059 -9.510 7.218 1.00 0.00 H new ATOM 173 N GLY A 63 -12.063 -8.415 1.550 1.00 0.00 N ATOM 174 CA GLY A 63 -13.456 -8.010 1.457 1.00 0.00 C ATOM 175 C GLY A 63 -13.867 -7.254 2.716 1.00 0.00 C ATOM 176 O GLY A 63 -14.538 -7.814 3.581 1.00 0.00 O ATOM 0 H GLY A 63 -11.435 -7.795 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.601 -7.379 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.090 -8.887 1.327 1.00 0.00 H new ATOM 180 N ARG A 64 -13.463 -5.987 2.835 1.00 0.00 N ATOM 181 CA ARG A 64 -13.810 -5.101 3.954 1.00 0.00 C ATOM 182 C ARG A 64 -14.257 -3.739 3.442 1.00 0.00 C ATOM 183 O ARG A 64 -13.991 -3.385 2.291 1.00 0.00 O ATOM 184 CB ARG A 64 -12.663 -4.950 4.975 1.00 0.00 C ATOM 185 CG ARG A 64 -11.249 -5.043 4.403 1.00 0.00 C ATOM 186 CD ARG A 64 -10.239 -4.849 5.543 1.00 0.00 C ATOM 187 NE ARG A 64 -10.106 -6.076 6.342 1.00 0.00 N ATOM 188 CZ ARG A 64 -9.570 -6.210 7.561 1.00 0.00 C ATOM 189 NH1 ARG A 64 -8.953 -5.207 8.170 1.00 0.00 N ATOM 190 NH2 ARG A 64 -9.671 -7.377 8.180 1.00 0.00 N ATOM 0 H ARG A 64 -12.870 -5.535 2.139 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.639 -5.572 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.770 -3.987 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.777 -5.719 5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.098 -6.011 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.102 -4.283 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.269 -4.572 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.560 -4.027 6.183 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.466 -6.929 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.876 -4.300 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.555 -5.342 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.151 -8.155 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.269 -7.498 9.109 1.00 0.00 H new ATOM 204 N LYS A 65 -14.912 -2.963 4.305 1.00 0.00 N ATOM 205 CA LYS A 65 -15.244 -1.563 4.062 1.00 0.00 C ATOM 206 C LYS A 65 -14.228 -0.740 4.833 1.00 0.00 C ATOM 207 O LYS A 65 -14.340 -0.640 6.052 1.00 0.00 O ATOM 208 CB LYS A 65 -16.689 -1.238 4.490 1.00 0.00 C ATOM 209 CG LYS A 65 -17.193 0.014 3.747 1.00 0.00 C ATOM 210 CD LYS A 65 -18.537 0.617 4.197 1.00 0.00 C ATOM 211 CE LYS A 65 -19.406 -0.261 5.111 1.00 0.00 C ATOM 212 NZ LYS A 65 -19.128 -0.008 6.544 1.00 0.00 N ATOM 0 H LYS A 65 -15.233 -3.300 5.213 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.199 -1.332 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.340 -2.085 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.729 -1.072 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.431 0.788 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.273 -0.233 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.335 1.555 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.117 0.863 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -20.459 -0.069 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.224 -1.312 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.410 -0.838 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.111 0.168 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.667 0.823 6.861 1.00 0.00 H new ATOM 226 N LEU A 66 -13.195 -0.252 4.154 1.00 0.00 N ATOM 227 CA LEU A 66 -12.227 0.632 4.774 1.00 0.00 C ATOM 228 C LEU A 66 -12.849 2.007 4.966 1.00 0.00 C ATOM 229 O LEU A 66 -13.702 2.433 4.191 1.00 0.00 O ATOM 230 CB LEU A 66 -10.964 0.746 3.913 1.00 0.00 C ATOM 231 CG LEU A 66 -9.957 -0.396 4.039 1.00 0.00 C ATOM 232 CD1 LEU A 66 -9.332 -0.451 5.427 1.00 0.00 C ATOM 233 CD2 LEU A 66 -10.548 -1.765 3.770 1.00 0.00 C ATOM 0 H LEU A 66 -13.010 -0.457 3.172 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.944 0.219 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.267 0.822 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.459 1.678 4.167 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.210 -0.171 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.622 -1.277 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.813 0.486 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.113 -0.601 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.773 -2.524 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.350 -1.961 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.947 -1.796 2.756 1.00 0.00 H new ATOM 245 N ASP A 67 -12.360 2.731 5.962 1.00 0.00 N ATOM 246 CA ASP A 67 -12.902 4.005 6.383 1.00 0.00 C ATOM 247 C ASP A 67 -11.985 5.085 5.819 1.00 0.00 C ATOM 248 O ASP A 67 -11.085 5.595 6.495 1.00 0.00 O ATOM 249 CB ASP A 67 -13.008 4.000 7.908 1.00 0.00 C ATOM 250 CG ASP A 67 -14.173 3.128 8.386 1.00 0.00 C ATOM 251 OD1 ASP A 67 -14.053 1.877 8.361 1.00 0.00 O ATOM 252 OD2 ASP A 67 -15.178 3.673 8.879 1.00 0.00 O ATOM 0 H ASP A 67 -11.553 2.436 6.512 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.907 4.200 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.076 3.632 8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.144 5.020 8.268 1.00 0.00 H new ATOM 257 N ILE A 68 -12.155 5.379 4.529 1.00 0.00 N ATOM 258 CA ILE A 68 -11.287 6.255 3.747 1.00 0.00 C ATOM 259 C ILE A 68 -12.183 7.322 3.101 1.00 0.00 C ATOM 260 O ILE A 68 -13.361 7.075 2.827 1.00 0.00 O ATOM 261 CB ILE A 68 -10.432 5.417 2.753 1.00 0.00 C ATOM 262 CG1 ILE A 68 -9.704 4.237 3.459 1.00 0.00 C ATOM 263 CG2 ILE A 68 -9.436 6.296 1.970 1.00 0.00 C ATOM 264 CD1 ILE A 68 -8.950 3.277 2.535 1.00 0.00 C ATOM 0 H ILE A 68 -12.928 5.000 3.983 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.551 6.775 4.361 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.127 4.986 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.998 4.649 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.440 3.666 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.859 5.672 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.983 7.047 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.761 6.791 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.480 2.494 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.648 2.827 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.184 3.826 1.987 1.00 0.00 H new ATOM 276 N ASP A 69 -11.643 8.525 2.902 1.00 0.00 N ATOM 277 CA ASP A 69 -12.370 9.672 2.366 1.00 0.00 C ATOM 278 C ASP A 69 -12.188 9.732 0.847 1.00 0.00 C ATOM 279 O ASP A 69 -11.081 10.027 0.371 1.00 0.00 O ATOM 280 CB ASP A 69 -11.887 10.967 3.036 1.00 0.00 C ATOM 281 CG ASP A 69 -12.830 12.145 2.778 1.00 0.00 C ATOM 282 OD1 ASP A 69 -13.595 12.133 1.789 1.00 0.00 O ATOM 283 OD2 ASP A 69 -12.868 13.067 3.623 1.00 0.00 O ATOM 0 H ASP A 69 -10.667 8.732 3.114 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.433 9.562 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.798 10.805 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.892 11.214 2.667 1.00 0.00 H new ATOM 288 N PHE A 70 -13.240 9.426 0.084 1.00 0.00 N ATOM 289 CA PHE A 70 -13.277 9.563 -1.372 1.00 0.00 C ATOM 290 C PHE A 70 -14.183 10.724 -1.798 1.00 0.00 C ATOM 291 O PHE A 70 -13.971 11.272 -2.883 1.00 0.00 O ATOM 292 CB PHE A 70 -13.776 8.273 -2.045 1.00 0.00 C ATOM 293 CG PHE A 70 -13.049 6.991 -1.688 1.00 0.00 C ATOM 294 CD1 PHE A 70 -13.411 6.261 -0.540 1.00 0.00 C ATOM 295 CD2 PHE A 70 -12.026 6.506 -2.521 1.00 0.00 C ATOM 296 CE1 PHE A 70 -12.711 5.095 -0.192 1.00 0.00 C ATOM 297 CE2 PHE A 70 -11.299 5.363 -2.152 1.00 0.00 C ATOM 298 CZ PHE A 70 -11.630 4.667 -0.978 1.00 0.00 C ATOM 0 H PHE A 70 -14.112 9.067 0.473 1.00 0.00 H new ATOM 0 HA PHE A 70 -12.255 9.764 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -14.830 8.146 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -13.716 8.408 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -14.231 6.600 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -11.799 7.014 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -13.004 4.528 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.484 5.019 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 70 -11.053 3.804 -0.680 1.00 0.00 H new ATOM 308 N GLY A 71 -15.188 11.097 -1.000 1.00 0.00 N ATOM 309 CA GLY A 71 -16.105 12.195 -1.273 1.00 0.00 C ATOM 310 C GLY A 71 -17.492 11.663 -1.618 1.00 0.00 C ATOM 311 O GLY A 71 -18.217 11.196 -0.734 1.00 0.00 O ATOM 0 H GLY A 71 -15.388 10.624 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.167 12.849 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.725 12.797 -2.098 1.00 0.00 H new ATOM 315 N ALA A 72 -17.875 11.726 -2.896 1.00 0.00 N ATOM 316 CA ALA A 72 -19.202 11.358 -3.367 1.00 0.00 C ATOM 317 C ALA A 72 -19.156 10.058 -4.155 1.00 0.00 C ATOM 318 O ALA A 72 -19.229 9.006 -3.528 1.00 0.00 O ATOM 319 CB ALA A 72 -19.808 12.495 -4.180 1.00 0.00 C ATOM 0 H ALA A 72 -17.255 12.041 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 72 -19.846 11.187 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -20.800 12.206 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -19.886 13.386 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -19.172 12.707 -5.039 1.00 0.00 H new ATOM 325 N GLU A 73 -19.091 10.126 -5.491 1.00 0.00 N ATOM 326 CA GLU A 73 -19.271 8.999 -6.402 1.00 0.00 C ATOM 327 C GLU A 73 -18.409 7.808 -6.006 1.00 0.00 C ATOM 328 O GLU A 73 -18.926 6.701 -5.902 1.00 0.00 O ATOM 329 CB GLU A 73 -19.065 9.422 -7.872 1.00 0.00 C ATOM 330 CG GLU A 73 -17.777 10.212 -8.181 1.00 0.00 C ATOM 331 CD GLU A 73 -17.639 10.548 -9.671 1.00 0.00 C ATOM 332 OE1 GLU A 73 -18.490 11.301 -10.209 1.00 0.00 O ATOM 333 OE2 GLU A 73 -16.683 10.079 -10.335 1.00 0.00 O ATOM 0 H GLU A 73 -18.905 11.001 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 73 -20.306 8.667 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.073 8.525 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -19.919 10.027 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.773 11.135 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.912 9.631 -7.861 1.00 0.00 H new ATOM 340 N GLY A 74 -17.124 8.024 -5.730 1.00 0.00 N ATOM 341 CA GLY A 74 -16.215 6.960 -5.353 1.00 0.00 C ATOM 342 C GLY A 74 -16.606 6.334 -4.031 1.00 0.00 C ATOM 343 O GLY A 74 -16.699 5.117 -3.935 1.00 0.00 O ATOM 0 H GLY A 74 -16.690 8.946 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.207 6.195 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.201 7.354 -5.284 1.00 0.00 H new ATOM 347 N ASN A 75 -16.858 7.149 -3.014 1.00 0.00 N ATOM 348 CA ASN A 75 -17.200 6.649 -1.687 1.00 0.00 C ATOM 349 C ASN A 75 -18.513 5.869 -1.740 1.00 0.00 C ATOM 350 O ASN A 75 -18.580 4.744 -1.259 1.00 0.00 O ATOM 351 CB ASN A 75 -17.221 7.809 -0.683 1.00 0.00 C ATOM 352 CG ASN A 75 -18.368 7.701 0.297 1.00 0.00 C ATOM 353 OD1 ASN A 75 -18.399 6.795 1.124 1.00 0.00 O ATOM 354 ND2 ASN A 75 -19.324 8.603 0.200 1.00 0.00 N ATOM 0 H ASN A 75 -16.832 8.166 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 75 -16.440 5.948 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.279 7.829 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.296 8.753 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -20.128 8.564 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.260 9.341 -0.502 1.00 0.00 H new ATOM 361 N ARG A 76 -19.549 6.433 -2.357 1.00 0.00 N ATOM 362 CA ARG A 76 -20.819 5.750 -2.570 1.00 0.00 C ATOM 363 C ARG A 76 -20.650 4.462 -3.354 1.00 0.00 C ATOM 364 O ARG A 76 -21.248 3.458 -2.963 1.00 0.00 O ATOM 365 CB ARG A 76 -21.788 6.703 -3.269 1.00 0.00 C ATOM 366 CG ARG A 76 -22.417 7.618 -2.207 1.00 0.00 C ATOM 367 CD ARG A 76 -23.749 7.058 -1.691 1.00 0.00 C ATOM 368 NE ARG A 76 -24.820 7.242 -2.681 1.00 0.00 N ATOM 369 CZ ARG A 76 -25.358 8.422 -3.017 1.00 0.00 C ATOM 370 NH1 ARG A 76 -25.039 9.536 -2.363 1.00 0.00 N ATOM 371 NH2 ARG A 76 -26.235 8.490 -4.009 1.00 0.00 N ATOM 0 H ARG A 76 -19.529 7.384 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 76 -21.227 5.465 -1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -21.263 7.296 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -22.562 6.141 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -21.725 7.737 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -22.579 8.609 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -23.638 5.998 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -24.020 7.556 -0.760 1.00 0.00 H new ATOM 0 HE ARG A 76 -25.180 6.409 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -24.374 9.501 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -25.460 10.425 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -26.499 7.645 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -26.646 9.388 -4.266 1.00 0.00 H new ATOM 385 N TYR A 77 -19.865 4.458 -4.429 1.00 0.00 N ATOM 386 CA TYR A 77 -19.584 3.232 -5.152 1.00 0.00 C ATOM 387 C TYR A 77 -18.833 2.224 -4.280 1.00 0.00 C ATOM 388 O TYR A 77 -19.066 1.023 -4.397 1.00 0.00 O ATOM 389 CB TYR A 77 -18.783 3.552 -6.402 1.00 0.00 C ATOM 390 CG TYR A 77 -18.924 2.451 -7.413 1.00 0.00 C ATOM 391 CD1 TYR A 77 -18.050 1.350 -7.405 1.00 0.00 C ATOM 392 CD2 TYR A 77 -19.967 2.538 -8.348 1.00 0.00 C ATOM 393 CE1 TYR A 77 -18.237 0.312 -8.330 1.00 0.00 C ATOM 394 CE2 TYR A 77 -20.120 1.531 -9.305 1.00 0.00 C ATOM 395 CZ TYR A 77 -19.272 0.405 -9.286 1.00 0.00 C ATOM 396 OH TYR A 77 -19.444 -0.583 -10.195 1.00 0.00 O ATOM 0 H TYR A 77 -19.416 5.290 -4.813 1.00 0.00 H new ATOM 0 HA TYR A 77 -20.533 2.775 -5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -19.127 4.493 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -17.732 3.684 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.240 1.304 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -20.647 3.377 -8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -17.592 -0.554 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -20.888 1.616 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 77 -20.200 -0.363 -10.778 1.00 0.00 H new ATOM 406 N TYR A 78 -17.938 2.683 -3.402 1.00 0.00 N ATOM 407 CA TYR A 78 -17.270 1.817 -2.449 1.00 0.00 C ATOM 408 C TYR A 78 -18.333 1.196 -1.555 1.00 0.00 C ATOM 409 O TYR A 78 -18.458 -0.019 -1.558 1.00 0.00 O ATOM 410 CB TYR A 78 -16.192 2.549 -1.632 1.00 0.00 C ATOM 411 CG TYR A 78 -15.218 1.631 -0.913 1.00 0.00 C ATOM 412 CD1 TYR A 78 -14.702 0.474 -1.534 1.00 0.00 C ATOM 413 CD2 TYR A 78 -14.831 1.934 0.405 1.00 0.00 C ATOM 414 CE1 TYR A 78 -13.911 -0.426 -0.803 1.00 0.00 C ATOM 415 CE2 TYR A 78 -13.995 1.060 1.116 1.00 0.00 C ATOM 416 CZ TYR A 78 -13.584 -0.156 0.537 1.00 0.00 C ATOM 417 OH TYR A 78 -12.900 -1.078 1.265 1.00 0.00 O ATOM 0 H TYR A 78 -17.662 3.663 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 78 -16.733 1.038 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -15.631 3.204 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -16.682 3.187 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -14.916 0.280 -2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -15.179 2.844 0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -13.552 -1.330 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.666 1.321 2.111 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.503 -1.808 1.517 1.00 0.00 H new ATOM 427 N GLU A 79 -19.172 1.995 -0.892 1.00 0.00 N ATOM 428 CA GLU A 79 -20.262 1.528 -0.037 1.00 0.00 C ATOM 429 C GLU A 79 -21.207 0.552 -0.753 1.00 0.00 C ATOM 430 O GLU A 79 -21.872 -0.245 -0.099 1.00 0.00 O ATOM 431 CB GLU A 79 -21.062 2.722 0.502 1.00 0.00 C ATOM 432 CG GLU A 79 -20.267 3.552 1.523 1.00 0.00 C ATOM 433 CD GLU A 79 -20.989 3.721 2.869 1.00 0.00 C ATOM 434 OE1 GLU A 79 -22.066 4.360 2.915 1.00 0.00 O ATOM 435 OE2 GLU A 79 -20.468 3.255 3.910 1.00 0.00 O ATOM 0 H GLU A 79 -19.109 3.012 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 79 -19.801 0.984 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -21.358 3.362 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -21.979 2.360 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -19.302 3.075 1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -20.066 4.537 1.101 1.00 0.00 H new ATOM 442 N ALA A 80 -21.247 0.568 -2.085 1.00 0.00 N ATOM 443 CA ALA A 80 -22.047 -0.357 -2.867 1.00 0.00 C ATOM 444 C ALA A 80 -21.452 -1.763 -2.962 1.00 0.00 C ATOM 445 O ALA A 80 -22.202 -2.742 -2.995 1.00 0.00 O ATOM 446 CB ALA A 80 -22.230 0.204 -4.280 1.00 0.00 C ATOM 0 H ALA A 80 -20.718 1.232 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 80 -23.001 -0.455 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -22.830 -0.488 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -22.735 1.168 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -21.255 0.331 -4.750 1.00 0.00 H new ATOM 452 N ASN A 81 -20.128 -1.885 -3.074 1.00 0.00 N ATOM 453 CA ASN A 81 -19.425 -3.131 -3.405 1.00 0.00 C ATOM 454 C ASN A 81 -18.006 -3.096 -2.830 1.00 0.00 C ATOM 455 O ASN A 81 -17.024 -3.421 -3.496 1.00 0.00 O ATOM 456 CB ASN A 81 -19.456 -3.412 -4.926 1.00 0.00 C ATOM 457 CG ASN A 81 -19.125 -2.211 -5.798 1.00 0.00 C ATOM 458 OD1 ASN A 81 -17.989 -1.581 -5.585 1.00 0.00 O flip ATOM 459 ND2 ASN A 81 -19.915 -1.814 -6.647 1.00 0.00 N flip ATOM 0 H ASN A 81 -19.495 -1.098 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 81 -19.945 -3.969 -2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -18.750 -4.212 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -20.447 -3.777 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -20.791 -2.313 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -19.696 -0.985 -7.200 1.00 0.00 H new ATOM 466 N TYR A 82 -17.884 -2.672 -1.576 1.00 0.00 N ATOM 467 CA TYR A 82 -16.624 -2.477 -0.862 1.00 0.00 C ATOM 468 C TYR A 82 -15.901 -3.799 -0.654 1.00 0.00 C ATOM 469 O TYR A 82 -14.674 -3.858 -0.670 1.00 0.00 O ATOM 470 CB TYR A 82 -16.894 -1.821 0.501 1.00 0.00 C ATOM 471 CG TYR A 82 -18.060 -2.437 1.257 1.00 0.00 C ATOM 472 CD1 TYR A 82 -19.371 -1.977 1.035 1.00 0.00 C ATOM 473 CD2 TYR A 82 -17.841 -3.511 2.136 1.00 0.00 C ATOM 474 CE1 TYR A 82 -20.463 -2.624 1.639 1.00 0.00 C ATOM 475 CE2 TYR A 82 -18.923 -4.146 2.768 1.00 0.00 C ATOM 476 CZ TYR A 82 -20.245 -3.721 2.503 1.00 0.00 C ATOM 477 OH TYR A 82 -21.304 -4.410 3.008 1.00 0.00 O ATOM 0 H TYR A 82 -18.697 -2.444 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.990 -1.828 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.996 -1.895 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.091 -0.759 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -19.539 -1.122 0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -16.834 -3.851 2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -21.469 -2.283 1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.745 -4.959 3.456 1.00 0.00 H new ATOM 0 HH TYR A 82 -20.979 -5.134 3.583 1.00 0.00 H new ATOM 487 N TRP A 83 -16.676 -4.873 -0.522 1.00 0.00 N ATOM 488 CA TRP A 83 -16.274 -6.250 -0.300 1.00 0.00 C ATOM 489 C TRP A 83 -15.445 -6.857 -1.443 1.00 0.00 C ATOM 490 O TRP A 83 -15.305 -8.076 -1.499 1.00 0.00 O ATOM 491 CB TRP A 83 -17.550 -7.051 -0.005 1.00 0.00 C ATOM 492 CG TRP A 83 -18.605 -7.123 -1.078 1.00 0.00 C ATOM 493 CD1 TRP A 83 -19.585 -6.215 -1.308 1.00 0.00 C ATOM 494 CD2 TRP A 83 -18.871 -8.225 -1.998 1.00 0.00 C ATOM 495 NE1 TRP A 83 -20.421 -6.671 -2.313 1.00 0.00 N ATOM 496 CE2 TRP A 83 -20.049 -7.924 -2.746 1.00 0.00 C ATOM 497 CE3 TRP A 83 -18.263 -9.474 -2.239 1.00 0.00 C ATOM 498 CZ2 TRP A 83 -20.608 -8.829 -3.661 1.00 0.00 C ATOM 499 CZ3 TRP A 83 -18.814 -10.388 -3.160 1.00 0.00 C ATOM 500 CH2 TRP A 83 -19.992 -10.076 -3.863 1.00 0.00 C ATOM 0 H TRP A 83 -17.691 -4.788 -0.573 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.590 -6.288 0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -17.254 -8.071 0.241 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -18.010 -6.628 0.888 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -19.697 -5.276 -0.786 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -21.212 -6.146 -2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -17.359 -9.735 -1.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -21.504 -8.570 -4.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -18.327 -11.337 -3.328 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -20.420 -10.789 -4.552 1.00 0.00 H new ATOM 511 N GLN A 84 -14.898 -6.047 -2.356 1.00 0.00 N ATOM 512 CA GLN A 84 -14.248 -6.468 -3.592 1.00 0.00 C ATOM 513 C GLN A 84 -12.865 -5.808 -3.790 1.00 0.00 C ATOM 514 O GLN A 84 -12.332 -5.826 -4.900 1.00 0.00 O ATOM 515 CB GLN A 84 -15.199 -6.218 -4.779 1.00 0.00 C ATOM 516 CG GLN A 84 -16.645 -6.726 -4.557 1.00 0.00 C ATOM 517 CD GLN A 84 -17.271 -7.323 -5.812 1.00 0.00 C ATOM 518 OE1 GLN A 84 -16.973 -6.919 -6.934 1.00 0.00 O ATOM 519 NE2 GLN A 84 -18.109 -8.333 -5.668 1.00 0.00 N ATOM 0 H GLN A 84 -14.899 -5.033 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 84 -14.044 -7.537 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.230 -5.148 -4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.789 -6.701 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.642 -7.478 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -17.264 -5.900 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.353 -8.664 -4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.513 -8.782 -6.490 1.00 0.00 H new ATOM 528 N PHE A 85 -12.272 -5.195 -2.758 1.00 0.00 N ATOM 529 CA PHE A 85 -11.079 -4.330 -2.833 1.00 0.00 C ATOM 530 C PHE A 85 -9.932 -4.874 -1.963 1.00 0.00 C ATOM 531 O PHE A 85 -10.159 -5.807 -1.191 1.00 0.00 O ATOM 532 CB PHE A 85 -11.493 -2.913 -2.412 1.00 0.00 C ATOM 533 CG PHE A 85 -12.278 -2.153 -3.464 1.00 0.00 C ATOM 534 CD1 PHE A 85 -13.639 -2.438 -3.691 1.00 0.00 C ATOM 535 CD2 PHE A 85 -11.648 -1.141 -4.211 1.00 0.00 C ATOM 536 CE1 PHE A 85 -14.374 -1.657 -4.598 1.00 0.00 C ATOM 537 CE2 PHE A 85 -12.371 -0.388 -5.151 1.00 0.00 C ATOM 538 CZ PHE A 85 -13.748 -0.613 -5.300 1.00 0.00 C ATOM 0 H PHE A 85 -12.623 -5.290 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.697 -4.311 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.093 -2.977 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -10.597 -2.344 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.116 -3.255 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.597 -0.941 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.423 -1.859 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.872 0.357 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.329 0.018 -5.956 1.00 0.00 H new ATOM 548 N PRO A 86 -8.694 -4.347 -2.041 1.00 0.00 N ATOM 549 CA PRO A 86 -7.636 -4.697 -1.098 1.00 0.00 C ATOM 550 C PRO A 86 -7.965 -4.184 0.304 1.00 0.00 C ATOM 551 O PRO A 86 -8.410 -3.049 0.472 1.00 0.00 O ATOM 552 CB PRO A 86 -6.344 -4.064 -1.611 1.00 0.00 C ATOM 553 CG PRO A 86 -6.835 -2.943 -2.507 1.00 0.00 C ATOM 554 CD PRO A 86 -8.171 -3.443 -3.053 1.00 0.00 C ATOM 0 HA PRO A 86 -7.533 -5.780 -1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.730 -3.686 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.736 -4.782 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.957 -2.014 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.129 -2.741 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.857 -2.614 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.038 -3.956 -4.006 1.00 0.00 H new ATOM 562 N ASP A 87 -7.713 -5.021 1.308 1.00 0.00 N ATOM 563 CA ASP A 87 -7.580 -4.615 2.709 1.00 0.00 C ATOM 564 C ASP A 87 -6.375 -3.680 2.845 1.00 0.00 C ATOM 565 O ASP A 87 -6.477 -2.568 3.369 1.00 0.00 O ATOM 566 CB ASP A 87 -7.420 -5.894 3.550 1.00 0.00 C ATOM 567 CG ASP A 87 -6.822 -5.699 4.952 1.00 0.00 C ATOM 568 OD1 ASP A 87 -6.965 -4.624 5.567 1.00 0.00 O ATOM 569 OD2 ASP A 87 -6.171 -6.649 5.437 1.00 0.00 O ATOM 0 H ASP A 87 -7.592 -6.024 1.169 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.456 -4.070 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.398 -6.363 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.789 -6.592 3.000 1.00 0.00 H new ATOM 574 N GLY A 88 -5.244 -4.129 2.307 1.00 0.00 N ATOM 575 CA GLY A 88 -3.967 -3.458 2.290 1.00 0.00 C ATOM 576 C GLY A 88 -3.122 -4.013 1.153 1.00 0.00 C ATOM 577 O GLY A 88 -3.584 -4.861 0.375 1.00 0.00 O ATOM 0 H GLY A 88 -5.203 -5.036 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.109 -2.385 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.455 -3.601 3.242 1.00 0.00 H new ATOM 581 N ILE A 89 -1.894 -3.523 1.049 1.00 0.00 N ATOM 582 CA ILE A 89 -0.874 -3.988 0.114 1.00 0.00 C ATOM 583 C ILE A 89 0.271 -4.599 0.910 1.00 0.00 C ATOM 584 O ILE A 89 0.460 -4.299 2.089 1.00 0.00 O ATOM 585 CB ILE A 89 -0.368 -2.799 -0.725 1.00 0.00 C ATOM 586 CG1 ILE A 89 -1.524 -1.997 -1.356 1.00 0.00 C ATOM 587 CG2 ILE A 89 0.681 -3.151 -1.798 1.00 0.00 C ATOM 588 CD1 ILE A 89 -2.368 -2.802 -2.343 1.00 0.00 C ATOM 0 H ILE A 89 -1.566 -2.758 1.638 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.289 -4.738 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 89 0.149 -2.175 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.170 -1.622 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.113 -1.128 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.972 -2.247 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.558 -3.588 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.256 -3.867 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.160 -2.170 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.737 -3.154 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.810 -3.657 -1.831 1.00 0.00 H new ATOM 600 N HIS A 90 1.053 -5.414 0.212 1.00 0.00 N ATOM 601 CA HIS A 90 2.353 -5.904 0.627 1.00 0.00 C ATOM 602 C HIS A 90 3.355 -4.778 0.326 1.00 0.00 C ATOM 603 O HIS A 90 3.137 -3.653 0.779 1.00 0.00 O ATOM 604 CB HIS A 90 2.600 -7.236 -0.108 1.00 0.00 C ATOM 605 CG HIS A 90 1.489 -8.232 0.125 1.00 0.00 C ATOM 606 ND1 HIS A 90 0.210 -8.161 -0.377 1.00 0.00 N ATOM 607 CD2 HIS A 90 1.560 -9.367 0.878 1.00 0.00 C ATOM 608 CE1 HIS A 90 -0.469 -9.219 0.074 1.00 0.00 C ATOM 609 NE2 HIS A 90 0.301 -9.979 0.869 1.00 0.00 N ATOM 0 H HIS A 90 0.779 -5.766 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 90 2.446 -6.132 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.697 -7.046 -1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.545 -7.664 0.227 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -0.155 -7.429 -0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 90 2.437 -9.731 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.499 -9.434 -0.168 1.00 0.00 H new ATOM 617 N TYR A 91 4.349 -5.015 -0.544 1.00 0.00 N ATOM 618 CA TYR A 91 5.313 -4.030 -1.063 1.00 0.00 C ATOM 619 C TYR A 91 6.295 -3.600 0.040 1.00 0.00 C ATOM 620 O TYR A 91 5.918 -3.482 1.210 1.00 0.00 O ATOM 621 CB TYR A 91 4.573 -2.849 -1.742 1.00 0.00 C ATOM 622 CG TYR A 91 5.384 -1.983 -2.687 1.00 0.00 C ATOM 623 CD1 TYR A 91 5.897 -2.524 -3.882 1.00 0.00 C ATOM 624 CD2 TYR A 91 5.566 -0.615 -2.411 1.00 0.00 C ATOM 625 CE1 TYR A 91 6.656 -1.727 -4.758 1.00 0.00 C ATOM 626 CE2 TYR A 91 6.344 0.181 -3.269 1.00 0.00 C ATOM 627 CZ TYR A 91 6.914 -0.375 -4.433 1.00 0.00 C ATOM 628 OH TYR A 91 7.730 0.387 -5.213 1.00 0.00 O ATOM 0 H TYR A 91 4.511 -5.947 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 91 5.922 -4.489 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.725 -3.253 -2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.167 -2.208 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.706 -3.558 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.107 -0.176 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.041 -2.146 -5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.506 1.223 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 91 7.791 1.290 -4.838 1.00 0.00 H new ATOM 638 N ASN A 92 7.578 -3.425 -0.306 1.00 0.00 N ATOM 639 CA ASN A 92 8.608 -3.198 0.713 1.00 0.00 C ATOM 640 C ASN A 92 8.316 -1.892 1.436 1.00 0.00 C ATOM 641 O ASN A 92 8.031 -0.879 0.790 1.00 0.00 O ATOM 642 CB ASN A 92 10.035 -3.127 0.142 1.00 0.00 C ATOM 643 CG ASN A 92 10.659 -4.487 -0.105 1.00 0.00 C ATOM 644 OD1 ASN A 92 10.174 -5.252 -0.934 1.00 0.00 O ATOM 645 ND2 ASN A 92 11.767 -4.805 0.536 1.00 0.00 N ATOM 0 H ASN A 92 7.922 -3.436 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 92 8.570 -4.054 1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 92 10.015 -2.570 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 92 10.666 -2.567 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 92 12.230 -5.694 0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 92 12.161 -4.162 1.223 1.00 0.00 H new ATOM 652 N GLY A 93 8.465 -1.898 2.756 1.00 0.00 N ATOM 653 CA GLY A 93 8.527 -0.692 3.553 1.00 0.00 C ATOM 654 C GLY A 93 9.974 -0.338 3.746 1.00 0.00 C ATOM 655 O GLY A 93 10.818 -1.212 3.945 1.00 0.00 O ATOM 0 H GLY A 93 8.547 -2.755 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.999 0.121 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.040 -0.846 4.516 1.00 0.00 H new ATOM 659 N CYS A 94 10.226 0.964 3.703 1.00 0.00 N ATOM 660 CA CYS A 94 11.529 1.543 3.940 1.00 0.00 C ATOM 661 C CYS A 94 12.545 0.944 2.953 1.00 0.00 C ATOM 662 O CYS A 94 13.592 0.424 3.341 1.00 0.00 O ATOM 663 CB CYS A 94 11.889 1.322 5.414 1.00 0.00 C ATOM 664 SG CYS A 94 11.193 2.444 6.664 1.00 0.00 S ATOM 0 H CYS A 94 9.508 1.658 3.497 1.00 0.00 H new ATOM 0 HA CYS A 94 11.536 2.618 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 94 11.590 0.308 5.678 1.00 0.00 H new ATOM 0 HB3 CYS A 94 12.975 1.367 5.499 1.00 0.00 H new ATOM 669 N SER A 95 12.206 1.003 1.667 1.00 0.00 N ATOM 670 CA SER A 95 13.069 0.657 0.548 1.00 0.00 C ATOM 671 C SER A 95 13.802 1.899 0.035 1.00 0.00 C ATOM 672 O SER A 95 14.900 1.796 -0.516 1.00 0.00 O ATOM 673 CB SER A 95 12.177 0.064 -0.547 1.00 0.00 C ATOM 674 OG SER A 95 12.919 -0.352 -1.671 1.00 0.00 O ATOM 0 H SER A 95 11.280 1.307 1.367 1.00 0.00 H new ATOM 0 HA SER A 95 13.827 -0.064 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.625 -0.785 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.440 0.806 -0.855 1.00 0.00 H new ATOM 0 HG SER A 95 12.312 -0.725 -2.344 1.00 0.00 H new ATOM 680 N GLU A 96 13.207 3.081 0.201 1.00 0.00 N ATOM 681 CA GLU A 96 13.687 4.334 -0.360 1.00 0.00 C ATOM 682 C GLU A 96 13.647 5.375 0.752 1.00 0.00 C ATOM 683 O GLU A 96 12.996 5.160 1.776 1.00 0.00 O ATOM 684 CB GLU A 96 12.809 4.746 -1.561 1.00 0.00 C ATOM 685 CG GLU A 96 12.592 3.593 -2.558 1.00 0.00 C ATOM 686 CD GLU A 96 11.967 4.031 -3.883 1.00 0.00 C ATOM 687 OE1 GLU A 96 10.940 4.724 -3.912 1.00 0.00 O ATOM 688 OE2 GLU A 96 12.534 3.642 -4.941 1.00 0.00 O ATOM 0 H GLU A 96 12.352 3.191 0.747 1.00 0.00 H new ATOM 0 HA GLU A 96 14.707 4.236 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.842 5.094 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.276 5.585 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.550 3.115 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.952 2.842 -2.096 1.00 0.00 H new ATOM 695 N ALA A 97 14.343 6.501 0.592 1.00 0.00 N ATOM 696 CA ALA A 97 14.325 7.561 1.595 1.00 0.00 C ATOM 697 C ALA A 97 14.546 8.945 0.980 1.00 0.00 C ATOM 698 O ALA A 97 14.867 9.881 1.708 1.00 0.00 O ATOM 699 CB ALA A 97 15.359 7.260 2.682 1.00 0.00 C ATOM 0 H ALA A 97 14.925 6.700 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 97 13.333 7.583 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 97 15.343 8.053 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.120 6.309 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.351 7.203 2.235 1.00 0.00 H new ATOM 705 N ASN A 98 14.387 9.103 -0.339 1.00 0.00 N ATOM 706 CA ASN A 98 14.638 10.362 -1.056 1.00 0.00 C ATOM 707 C ASN A 98 13.525 10.595 -2.090 1.00 0.00 C ATOM 708 O ASN A 98 13.769 10.933 -3.255 1.00 0.00 O ATOM 709 CB ASN A 98 16.058 10.351 -1.650 1.00 0.00 C ATOM 710 CG ASN A 98 17.105 10.617 -0.572 1.00 0.00 C ATOM 711 OD1 ASN A 98 17.219 11.736 -0.077 1.00 0.00 O ATOM 712 ND2 ASN A 98 17.854 9.619 -0.134 1.00 0.00 N ATOM 0 H ASN A 98 14.075 8.348 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 98 14.605 11.212 -0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.252 9.387 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.135 11.107 -2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.527 9.778 0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.758 8.691 -0.546 1.00 0.00 H new ATOM 719 N VAL A 99 12.278 10.389 -1.668 1.00 0.00 N ATOM 720 CA VAL A 99 11.091 10.287 -2.518 1.00 0.00 C ATOM 721 C VAL A 99 9.963 11.147 -1.936 1.00 0.00 C ATOM 722 O VAL A 99 10.195 11.895 -0.987 1.00 0.00 O ATOM 723 CB VAL A 99 10.719 8.800 -2.685 1.00 0.00 C ATOM 724 CG1 VAL A 99 11.740 8.114 -3.591 1.00 0.00 C ATOM 725 CG2 VAL A 99 10.595 8.071 -1.338 1.00 0.00 C ATOM 0 H VAL A 99 12.057 10.284 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 99 11.285 10.678 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 99 9.735 8.751 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.475 7.063 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.743 8.598 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.732 8.191 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.332 7.028 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.546 8.122 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.819 8.546 -0.737 1.00 0.00 H new ATOM 735 N THR A 100 8.756 11.078 -2.494 1.00 0.00 N ATOM 736 CA THR A 100 7.599 11.816 -2.006 1.00 0.00 C ATOM 737 C THR A 100 6.355 10.930 -2.078 1.00 0.00 C ATOM 738 O THR A 100 6.382 9.844 -2.669 1.00 0.00 O ATOM 739 CB THR A 100 7.411 13.098 -2.844 1.00 0.00 C ATOM 740 OG1 THR A 100 7.370 12.788 -4.228 1.00 0.00 O ATOM 741 CG2 THR A 100 8.495 14.149 -2.597 1.00 0.00 C ATOM 0 H THR A 100 8.554 10.499 -3.309 1.00 0.00 H new ATOM 0 HA THR A 100 7.758 12.103 -0.966 1.00 0.00 H new ATOM 0 HB THR A 100 6.462 13.527 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.249 13.612 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.302 15.024 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.487 14.440 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.470 13.733 -2.850 1.00 0.00 H new ATOM 749 N LYS A 101 5.234 11.433 -1.556 1.00 0.00 N ATOM 750 CA LYS A 101 3.897 10.881 -1.760 1.00 0.00 C ATOM 751 C LYS A 101 3.463 10.816 -3.220 1.00 0.00 C ATOM 752 O LYS A 101 2.427 10.215 -3.498 1.00 0.00 O ATOM 753 CB LYS A 101 2.873 11.714 -0.979 1.00 0.00 C ATOM 754 CG LYS A 101 2.606 11.066 0.378 1.00 0.00 C ATOM 755 CD LYS A 101 1.612 11.888 1.211 1.00 0.00 C ATOM 756 CE LYS A 101 0.218 11.806 0.573 1.00 0.00 C ATOM 757 NZ LYS A 101 -0.714 12.818 1.100 1.00 0.00 N ATOM 0 H LYS A 101 5.234 12.262 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 101 3.940 9.854 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.246 12.729 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.945 11.790 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.213 10.060 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.544 10.965 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.579 11.511 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.938 12.927 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.310 11.931 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.197 10.813 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.638 12.715 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.827 12.686 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.336 13.769 0.913 1.00 0.00 H new ATOM 771 N GLU A 102 4.186 11.456 -4.134 1.00 0.00 N ATOM 772 CA GLU A 102 4.065 11.183 -5.551 1.00 0.00 C ATOM 773 C GLU A 102 4.961 9.977 -5.842 1.00 0.00 C ATOM 774 O GLU A 102 4.453 8.860 -5.916 1.00 0.00 O ATOM 775 CB GLU A 102 4.400 12.458 -6.352 1.00 0.00 C ATOM 776 CG GLU A 102 3.219 12.916 -7.218 1.00 0.00 C ATOM 777 CD GLU A 102 2.991 12.067 -8.481 1.00 0.00 C ATOM 778 OE1 GLU A 102 3.207 10.836 -8.464 1.00 0.00 O ATOM 779 OE2 GLU A 102 2.484 12.622 -9.481 1.00 0.00 O ATOM 0 H GLU A 102 4.871 12.177 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 102 3.052 10.924 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.677 13.257 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.265 12.271 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.312 12.897 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.382 13.952 -7.516 1.00 0.00 H new ATOM 786 N ALA A 103 6.284 10.171 -5.895 1.00 0.00 N ATOM 787 CA ALA A 103 7.242 9.226 -6.461 1.00 0.00 C ATOM 788 C ALA A 103 7.094 7.804 -5.917 1.00 0.00 C ATOM 789 O ALA A 103 7.033 6.845 -6.693 1.00 0.00 O ATOM 790 CB ALA A 103 8.659 9.755 -6.210 1.00 0.00 C ATOM 0 H ALA A 103 6.726 11.016 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 103 7.040 9.152 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.386 9.059 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.774 10.729 -6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.826 9.854 -5.137 1.00 0.00 H new ATOM 796 N PHE A 104 7.060 7.666 -4.588 1.00 0.00 N ATOM 797 CA PHE A 104 7.003 6.367 -3.942 1.00 0.00 C ATOM 798 C PHE A 104 5.621 5.737 -4.132 1.00 0.00 C ATOM 799 O PHE A 104 5.555 4.591 -4.569 1.00 0.00 O ATOM 800 CB PHE A 104 7.462 6.462 -2.474 1.00 0.00 C ATOM 801 CG PHE A 104 6.644 5.646 -1.495 1.00 0.00 C ATOM 802 CD1 PHE A 104 6.914 4.275 -1.292 1.00 0.00 C ATOM 803 CD2 PHE A 104 5.553 6.254 -0.844 1.00 0.00 C ATOM 804 CE1 PHE A 104 6.115 3.533 -0.413 1.00 0.00 C ATOM 805 CE2 PHE A 104 4.709 5.487 -0.029 1.00 0.00 C ATOM 806 CZ PHE A 104 5.007 4.133 0.201 1.00 0.00 C ATOM 0 H PHE A 104 7.071 8.453 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 104 7.709 5.688 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.502 6.141 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.433 7.507 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.733 3.801 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.367 7.310 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.352 2.499 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.834 5.934 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.377 3.550 0.856 1.00 0.00 H new ATOM 816 N VAL A 105 4.528 6.464 -3.854 1.00 0.00 N ATOM 817 CA VAL A 105 3.172 5.913 -3.933 1.00 0.00 C ATOM 818 C VAL A 105 2.893 5.474 -5.382 1.00 0.00 C ATOM 819 O VAL A 105 2.332 4.398 -5.604 1.00 0.00 O ATOM 820 CB VAL A 105 2.129 6.923 -3.401 1.00 0.00 C ATOM 821 CG1 VAL A 105 0.708 6.348 -3.441 1.00 0.00 C ATOM 822 CG2 VAL A 105 2.371 7.400 -1.957 1.00 0.00 C ATOM 0 H VAL A 105 4.561 7.443 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 105 3.090 5.035 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 105 2.241 7.774 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.005 7.088 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.446 6.096 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.661 5.451 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.590 8.105 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.351 6.544 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.343 7.889 -1.894 1.00 0.00 H new ATOM 832 N THR A 106 3.322 6.272 -6.362 1.00 0.00 N ATOM 833 CA THR A 106 3.345 5.939 -7.773 1.00 0.00 C ATOM 834 C THR A 106 4.138 4.654 -8.020 1.00 0.00 C ATOM 835 O THR A 106 3.654 3.792 -8.757 1.00 0.00 O ATOM 836 CB THR A 106 3.909 7.149 -8.543 1.00 0.00 C ATOM 837 OG1 THR A 106 2.884 8.119 -8.646 1.00 0.00 O ATOM 838 CG2 THR A 106 4.356 6.780 -9.958 1.00 0.00 C ATOM 0 H THR A 106 3.678 7.210 -6.176 1.00 0.00 H new ATOM 0 HA THR A 106 2.337 5.736 -8.135 1.00 0.00 H new ATOM 0 HB THR A 106 4.778 7.520 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.269 9.014 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.745 7.666 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.136 6.020 -9.907 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.506 6.391 -10.518 1.00 0.00 H new ATOM 846 N GLY A 107 5.335 4.504 -7.446 1.00 0.00 N ATOM 847 CA GLY A 107 6.136 3.295 -7.581 1.00 0.00 C ATOM 848 C GLY A 107 5.345 2.070 -7.137 1.00 0.00 C ATOM 849 O GLY A 107 5.300 1.075 -7.862 1.00 0.00 O ATOM 0 H GLY A 107 5.774 5.225 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.450 3.175 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.042 3.385 -6.982 1.00 0.00 H new ATOM 853 N CYS A 108 4.647 2.177 -6.001 1.00 0.00 N ATOM 854 CA CYS A 108 3.827 1.082 -5.486 1.00 0.00 C ATOM 855 C CYS A 108 2.722 0.736 -6.490 1.00 0.00 C ATOM 856 O CYS A 108 2.439 -0.431 -6.749 1.00 0.00 O ATOM 857 CB CYS A 108 3.189 1.394 -4.123 1.00 0.00 C ATOM 858 SG CYS A 108 3.996 2.491 -2.945 1.00 0.00 S ATOM 0 H CYS A 108 4.636 3.016 -5.421 1.00 0.00 H new ATOM 0 HA CYS A 108 4.498 0.235 -5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.202 1.811 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.036 0.441 -3.617 1.00 0.00 H new ATOM 863 N ILE A 109 2.105 1.750 -7.097 1.00 0.00 N ATOM 864 CA ILE A 109 1.050 1.591 -8.094 1.00 0.00 C ATOM 865 C ILE A 109 1.558 0.959 -9.387 1.00 0.00 C ATOM 866 O ILE A 109 0.866 0.157 -10.024 1.00 0.00 O ATOM 867 CB ILE A 109 0.376 2.960 -8.292 1.00 0.00 C ATOM 868 CG1 ILE A 109 -0.786 3.012 -7.290 1.00 0.00 C ATOM 869 CG2 ILE A 109 -0.116 3.242 -9.714 1.00 0.00 C ATOM 870 CD1 ILE A 109 -1.004 4.437 -6.813 1.00 0.00 C ATOM 0 H ILE A 109 2.331 2.726 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 109 0.302 0.883 -7.739 1.00 0.00 H new ATOM 0 HB ILE A 109 1.119 3.739 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.696 2.634 -7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.572 2.365 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.575 4.230 -9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.727 3.208 -10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -0.851 2.489 -10.001 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.831 4.461 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -0.098 4.801 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.240 5.074 -7.666 1.00 0.00 H new ATOM 882 N ASN A 110 2.769 1.315 -9.785 1.00 0.00 N ATOM 883 CA ASN A 110 3.406 0.719 -10.960 1.00 0.00 C ATOM 884 C ASN A 110 3.706 -0.759 -10.753 1.00 0.00 C ATOM 885 O ASN A 110 3.821 -1.504 -11.729 1.00 0.00 O ATOM 886 CB ASN A 110 4.670 1.485 -11.345 1.00 0.00 C ATOM 887 CG ASN A 110 4.277 2.656 -12.220 1.00 0.00 C ATOM 888 OD1 ASN A 110 4.391 2.597 -13.443 1.00 0.00 O ATOM 889 ND2 ASN A 110 3.716 3.669 -11.594 1.00 0.00 N ATOM 0 H ASN A 110 3.337 2.017 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 110 2.698 0.794 -11.785 1.00 0.00 H new ATOM 0 HB2 ASN A 110 5.186 1.837 -10.452 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.362 0.831 -11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.349 4.458 -12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.648 3.665 -10.576 1.00 0.00 H new ATOM 896 N ALA A 111 3.804 -1.173 -9.493 1.00 0.00 N ATOM 897 CA ALA A 111 4.054 -2.531 -9.075 1.00 0.00 C ATOM 898 C ALA A 111 2.734 -3.299 -8.907 1.00 0.00 C ATOM 899 O ALA A 111 2.593 -4.402 -9.440 1.00 0.00 O ATOM 900 CB ALA A 111 4.891 -2.434 -7.799 1.00 0.00 C ATOM 0 H ALA A 111 3.705 -0.533 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 111 4.606 -3.105 -9.819 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.113 -3.436 -7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.823 -1.911 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.334 -1.885 -7.039 1.00 0.00 H new ATOM 906 N THR A 112 1.743 -2.716 -8.221 1.00 0.00 N ATOM 907 CA THR A 112 0.446 -3.339 -7.965 1.00 0.00 C ATOM 908 C THR A 112 -0.342 -3.555 -9.255 1.00 0.00 C ATOM 909 O THR A 112 -1.029 -4.569 -9.381 1.00 0.00 O ATOM 910 CB THR A 112 -0.359 -2.507 -6.947 1.00 0.00 C ATOM 911 OG1 THR A 112 -1.396 -3.270 -6.395 1.00 0.00 O ATOM 912 CG2 THR A 112 -1.053 -1.293 -7.558 1.00 0.00 C ATOM 0 H THR A 112 1.825 -1.781 -7.823 1.00 0.00 H new ATOM 0 HA THR A 112 0.626 -4.324 -7.535 1.00 0.00 H new ATOM 0 HB THR A 112 0.382 -2.189 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.038 -4.123 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.599 -0.757 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.307 -0.632 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.749 -1.622 -8.330 1.00 0.00 H new ATOM 920 N GLN A 113 -0.251 -2.642 -10.233 1.00 0.00 N ATOM 921 CA GLN A 113 -1.001 -2.825 -11.472 1.00 0.00 C ATOM 922 C GLN A 113 -0.590 -4.127 -12.153 1.00 0.00 C ATOM 923 O GLN A 113 -1.446 -4.888 -12.591 1.00 0.00 O ATOM 924 CB GLN A 113 -0.876 -1.610 -12.387 1.00 0.00 C ATOM 925 CG GLN A 113 0.527 -1.373 -12.960 1.00 0.00 C ATOM 926 CD GLN A 113 0.558 -0.071 -13.734 1.00 0.00 C ATOM 927 OE1 GLN A 113 0.618 -0.074 -14.960 1.00 0.00 O ATOM 928 NE2 GLN A 113 0.479 1.047 -13.035 1.00 0.00 N ATOM 0 H GLN A 113 0.317 -1.796 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.061 -2.908 -11.230 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -1.576 -1.724 -13.215 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.180 -0.723 -11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.258 -1.343 -12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.807 -2.200 -13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.431 1.010 -12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 113 0.466 1.948 -13.513 1.00 0.00 H new ATOM 937 N ALA A 114 0.715 -4.411 -12.156 1.00 0.00 N ATOM 938 CA ALA A 114 1.289 -5.641 -12.657 1.00 0.00 C ATOM 939 C ALA A 114 1.087 -6.804 -11.682 1.00 0.00 C ATOM 940 O ALA A 114 1.225 -7.954 -12.100 1.00 0.00 O ATOM 941 CB ALA A 114 2.784 -5.408 -12.891 1.00 0.00 C ATOM 0 H ALA A 114 1.416 -3.763 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 114 0.788 -5.913 -13.586 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.240 -6.323 -13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.918 -4.608 -13.619 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.260 -5.127 -11.951 1.00 0.00 H new ATOM 947 N ALA A 115 0.748 -6.546 -10.411 1.00 0.00 N ATOM 948 CA ALA A 115 0.393 -7.601 -9.478 1.00 0.00 C ATOM 949 C ALA A 115 -0.949 -8.201 -9.898 1.00 0.00 C ATOM 950 O ALA A 115 -1.013 -9.397 -10.185 1.00 0.00 O ATOM 951 CB ALA A 115 0.378 -7.113 -8.016 1.00 0.00 C ATOM 0 H ALA A 115 0.715 -5.607 -10.013 1.00 0.00 H new ATOM 0 HA ALA A 115 1.159 -8.376 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 115 0.107 -7.940 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.367 -6.744 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.351 -6.310 -7.908 1.00 0.00 H new ATOM 957 N ASN A 116 -1.993 -7.371 -9.995 1.00 0.00 N ATOM 958 CA ASN A 116 -3.388 -7.808 -10.126 1.00 0.00 C ATOM 959 C ASN A 116 -3.972 -7.343 -11.471 1.00 0.00 C ATOM 960 O ASN A 116 -5.027 -6.710 -11.503 1.00 0.00 O ATOM 961 CB ASN A 116 -4.270 -7.376 -8.916 1.00 0.00 C ATOM 962 CG ASN A 116 -3.552 -7.014 -7.625 1.00 0.00 C ATOM 963 OD1 ASN A 116 -3.358 -7.838 -6.733 1.00 0.00 O ATOM 964 ND2 ASN A 116 -3.186 -5.751 -7.497 1.00 0.00 N ATOM 0 H ASN A 116 -1.890 -6.356 -9.984 1.00 0.00 H new ATOM 0 HA ASN A 116 -3.394 -8.898 -10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -4.867 -6.517 -9.223 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -4.966 -8.186 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -2.729 -5.437 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -3.360 -5.090 -8.254 1.00 0.00 H new ATOM 971 N GLN A 117 -3.304 -7.614 -12.599 1.00 0.00 N ATOM 972 CA GLN A 117 -3.671 -7.026 -13.889 1.00 0.00 C ATOM 973 C GLN A 117 -5.139 -7.239 -14.245 1.00 0.00 C ATOM 974 O GLN A 117 -5.854 -6.250 -14.424 1.00 0.00 O ATOM 975 CB GLN A 117 -2.745 -7.524 -15.017 1.00 0.00 C ATOM 976 CG GLN A 117 -1.348 -6.894 -15.064 1.00 0.00 C ATOM 977 CD GLN A 117 -1.262 -5.556 -15.811 1.00 0.00 C ATOM 978 OE1 GLN A 117 -2.256 -4.687 -15.712 1.00 0.00 O flip ATOM 979 NE2 GLN A 117 -0.273 -5.286 -16.483 1.00 0.00 N flip ATOM 0 H GLN A 117 -2.501 -8.242 -12.642 1.00 0.00 H new ATOM 0 HA GLN A 117 -3.533 -5.950 -13.784 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.632 -8.604 -14.918 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.237 -7.341 -15.972 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.999 -6.745 -14.042 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.664 -7.600 -15.535 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.492 -5.957 -16.558 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.215 -4.390 -16.967 1.00 0.00 H new ATOM 988 N GLY A 118 -5.616 -8.484 -14.282 1.00 0.00 N ATOM 989 CA GLY A 118 -7.002 -8.763 -14.631 1.00 0.00 C ATOM 990 C GLY A 118 -8.011 -8.266 -13.595 1.00 0.00 C ATOM 991 O GLY A 118 -9.213 -8.317 -13.852 1.00 0.00 O ATOM 0 H GLY A 118 -5.059 -9.313 -14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.225 -8.301 -15.593 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.126 -9.838 -14.758 1.00 0.00 H new ATOM 995 N GLU A 119 -7.575 -7.778 -12.429 1.00 0.00 N ATOM 996 CA GLU A 119 -8.486 -7.295 -11.397 1.00 0.00 C ATOM 997 C GLU A 119 -8.840 -5.836 -11.651 1.00 0.00 C ATOM 998 O GLU A 119 -9.990 -5.449 -11.449 1.00 0.00 O ATOM 999 CB GLU A 119 -7.928 -7.616 -10.006 1.00 0.00 C ATOM 1000 CG GLU A 119 -8.387 -6.659 -8.909 1.00 0.00 C ATOM 1001 CD GLU A 119 -8.424 -7.350 -7.552 1.00 0.00 C ATOM 1002 OE1 GLU A 119 -7.411 -7.926 -7.096 1.00 0.00 O ATOM 1003 OE2 GLU A 119 -9.538 -7.403 -6.974 1.00 0.00 O ATOM 0 H GLU A 119 -6.588 -7.709 -12.179 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.439 -7.822 -11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.222 -8.630 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.839 -7.602 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.714 -5.803 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.378 -6.274 -9.151 1.00 0.00 H new ATOM 1010 N PHE A 120 -7.912 -5.026 -12.166 1.00 0.00 N ATOM 1011 CA PHE A 120 -8.248 -3.661 -12.554 1.00 0.00 C ATOM 1012 C PHE A 120 -9.205 -3.588 -13.763 1.00 0.00 C ATOM 1013 O PHE A 120 -9.666 -2.487 -14.072 1.00 0.00 O ATOM 1014 CB PHE A 120 -6.971 -2.836 -12.749 1.00 0.00 C ATOM 1015 CG PHE A 120 -6.180 -2.635 -11.470 1.00 0.00 C ATOM 1016 CD1 PHE A 120 -6.539 -1.622 -10.560 1.00 0.00 C ATOM 1017 CD2 PHE A 120 -5.084 -3.469 -11.182 1.00 0.00 C ATOM 1018 CE1 PHE A 120 -5.771 -1.416 -9.400 1.00 0.00 C ATOM 1019 CE2 PHE A 120 -4.330 -3.274 -10.011 1.00 0.00 C ATOM 1020 CZ PHE A 120 -4.660 -2.230 -9.129 1.00 0.00 C ATOM 0 H PHE A 120 -6.939 -5.289 -12.321 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.812 -3.215 -11.735 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.337 -3.331 -13.485 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.236 -1.862 -13.160 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -7.403 -1.004 -10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.820 -4.264 -11.864 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -6.038 -0.626 -8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.498 -3.926 -9.789 1.00 0.00 H new ATOM 0 HZ PHE A 120 -4.062 -2.055 -8.247 1.00 0.00 H new ATOM 1030 N GLN A 121 -9.528 -4.699 -14.439 1.00 0.00 N ATOM 1031 CA GLN A 121 -10.603 -4.735 -15.435 1.00 0.00 C ATOM 1032 C GLN A 121 -11.976 -4.661 -14.764 1.00 0.00 C ATOM 1033 O GLN A 121 -12.735 -3.716 -14.982 1.00 0.00 O ATOM 1034 CB GLN A 121 -10.520 -5.990 -16.329 1.00 0.00 C ATOM 1035 CG GLN A 121 -9.539 -5.876 -17.510 1.00 0.00 C ATOM 1036 CD GLN A 121 -10.218 -5.985 -18.886 1.00 0.00 C ATOM 1037 OE1 GLN A 121 -11.155 -6.755 -19.105 1.00 0.00 O ATOM 1038 NE2 GLN A 121 -9.765 -5.215 -19.857 1.00 0.00 N ATOM 0 H GLN A 121 -9.053 -5.593 -14.311 1.00 0.00 H new ATOM 0 HA GLN A 121 -10.473 -3.860 -16.072 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -10.227 -6.840 -15.712 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -11.514 -6.207 -16.720 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -9.016 -4.922 -17.447 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -8.786 -6.659 -17.423 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -8.990 -4.576 -19.681 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -10.190 -5.259 -20.783 1.00 0.00 H new ATOM 1047 N LYS A 122 -12.269 -5.697 -13.979 1.00 0.00 N ATOM 1048 CA LYS A 122 -13.546 -6.249 -13.587 1.00 0.00 C ATOM 1049 C LYS A 122 -14.452 -6.580 -14.774 1.00 0.00 C ATOM 1050 O LYS A 122 -14.360 -5.952 -15.830 1.00 0.00 O ATOM 1051 CB LYS A 122 -14.217 -5.343 -12.564 1.00 0.00 C ATOM 1052 CG LYS A 122 -13.363 -5.019 -11.336 1.00 0.00 C ATOM 1053 CD LYS A 122 -13.056 -6.231 -10.449 1.00 0.00 C ATOM 1054 CE LYS A 122 -12.261 -5.794 -9.214 1.00 0.00 C ATOM 1055 NZ LYS A 122 -12.174 -6.869 -8.205 1.00 0.00 N ATOM 0 H LYS A 122 -11.511 -6.231 -13.553 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.357 -7.212 -13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -14.494 -4.409 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.141 -5.816 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.423 -4.577 -11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -13.876 -4.266 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.985 -6.711 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.488 -6.970 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.256 -5.497 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.733 -4.917 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.790 -6.639 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.479 -7.768 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -11.191 -6.957 -7.876 1.00 0.00 H new ATOM 1069 N PRO A 123 -15.380 -7.547 -14.610 1.00 0.00 N ATOM 1070 CA PRO A 123 -16.402 -7.816 -15.608 1.00 0.00 C ATOM 1071 C PRO A 123 -17.201 -6.571 -15.947 1.00 0.00 C ATOM 1072 O PRO A 123 -17.475 -6.303 -17.111 1.00 0.00 O ATOM 1073 CB PRO A 123 -17.309 -8.911 -15.042 1.00 0.00 C ATOM 1074 CG PRO A 123 -16.485 -9.538 -13.922 1.00 0.00 C ATOM 1075 CD PRO A 123 -15.552 -8.424 -13.461 1.00 0.00 C ATOM 0 HA PRO A 123 -15.937 -8.140 -16.539 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -18.244 -8.498 -14.665 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -17.569 -9.646 -15.804 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.122 -9.884 -13.108 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -15.925 -10.402 -14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -15.978 -7.882 -12.616 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -14.595 -8.828 -13.131 1.00 0.00 H new ATOM 1083 N ASP A 124 -17.524 -5.785 -14.933 1.00 0.00 N ATOM 1084 CA ASP A 124 -18.243 -4.532 -15.061 1.00 0.00 C ATOM 1085 C ASP A 124 -18.162 -3.818 -13.731 1.00 0.00 C ATOM 1086 O ASP A 124 -18.854 -4.181 -12.782 1.00 0.00 O ATOM 1087 CB ASP A 124 -19.722 -4.691 -15.454 1.00 0.00 C ATOM 1088 CG ASP A 124 -20.296 -3.290 -15.654 1.00 0.00 C ATOM 1089 OD1 ASP A 124 -19.744 -2.556 -16.507 1.00 0.00 O ATOM 1090 OD2 ASP A 124 -21.245 -2.868 -14.952 1.00 0.00 O ATOM 0 H ASP A 124 -17.284 -6.011 -13.968 1.00 0.00 H new ATOM 0 HA ASP A 124 -17.776 -3.970 -15.870 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.815 -5.278 -16.368 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.270 -5.223 -14.677 1.00 0.00 H new ATOM 1095 N ASN A 125 -17.265 -2.849 -13.647 1.00 0.00 N ATOM 1096 CA ASN A 125 -17.251 -1.860 -12.588 1.00 0.00 C ATOM 1097 C ASN A 125 -16.609 -0.602 -13.175 1.00 0.00 C ATOM 1098 O ASN A 125 -15.481 -0.687 -13.662 1.00 0.00 O ATOM 1099 CB ASN A 125 -16.400 -2.343 -11.407 1.00 0.00 C ATOM 1100 CG ASN A 125 -17.005 -3.395 -10.482 1.00 0.00 C ATOM 1101 OD1 ASN A 125 -16.444 -4.472 -10.299 1.00 0.00 O ATOM 1102 ND2 ASN A 125 -18.088 -3.088 -9.794 1.00 0.00 N ATOM 0 H ASN A 125 -16.514 -2.728 -14.326 1.00 0.00 H new ATOM 0 HA ASN A 125 -18.263 -1.677 -12.227 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -15.468 -2.743 -11.806 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -16.141 -1.474 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -18.460 -3.746 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -18.553 -2.193 -9.947 1.00 0.00 H new ATOM 1109 N LYS A 126 -17.282 0.554 -13.127 1.00 0.00 N ATOM 1110 CA LYS A 126 -16.707 1.826 -13.578 1.00 0.00 C ATOM 1111 C LYS A 126 -15.969 2.473 -12.423 1.00 0.00 C ATOM 1112 O LYS A 126 -14.743 2.425 -12.342 1.00 0.00 O ATOM 1113 CB LYS A 126 -17.796 2.752 -14.161 1.00 0.00 C ATOM 1114 CG LYS A 126 -17.233 3.911 -15.002 1.00 0.00 C ATOM 1115 CD LYS A 126 -16.436 5.023 -14.296 1.00 0.00 C ATOM 1116 CE LYS A 126 -16.085 6.054 -15.379 1.00 0.00 C ATOM 1117 NZ LYS A 126 -15.245 7.162 -14.887 1.00 0.00 N ATOM 0 H LYS A 126 -18.236 0.634 -12.776 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.996 1.640 -14.383 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -18.472 2.160 -14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -18.389 3.162 -13.343 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.589 3.480 -15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.070 4.382 -15.517 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.026 5.479 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -15.534 4.622 -13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -15.566 5.550 -16.195 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.007 6.463 -15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -15.046 7.820 -15.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -15.746 7.667 -14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.350 6.782 -14.518 1.00 0.00 H new ATOM 1131 N LEU A 127 -16.731 3.079 -11.507 1.00 0.00 N ATOM 1132 CA LEU A 127 -16.223 3.957 -10.461 1.00 0.00 C ATOM 1133 C LEU A 127 -15.186 3.244 -9.601 1.00 0.00 C ATOM 1134 O LEU A 127 -14.319 3.908 -9.040 1.00 0.00 O ATOM 1135 CB LEU A 127 -17.386 4.433 -9.570 1.00 0.00 C ATOM 1136 CG LEU A 127 -17.493 5.937 -9.294 1.00 0.00 C ATOM 1137 CD1 LEU A 127 -16.198 6.546 -8.769 1.00 0.00 C ATOM 1138 CD2 LEU A 127 -17.921 6.699 -10.541 1.00 0.00 C ATOM 0 H LEU A 127 -17.744 2.966 -11.476 1.00 0.00 H new ATOM 0 HA LEU A 127 -15.747 4.813 -10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -18.319 4.108 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.308 3.919 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 127 -18.251 6.033 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.342 7.612 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.920 6.059 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.405 6.402 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -17.988 7.763 -10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.188 6.543 -11.332 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.894 6.337 -10.872 1.00 0.00 H new ATOM 1150 N HIS A 128 -15.241 1.908 -9.525 1.00 0.00 N ATOM 1151 CA HIS A 128 -14.271 1.130 -8.782 1.00 0.00 C ATOM 1152 C HIS A 128 -12.838 1.464 -9.176 1.00 0.00 C ATOM 1153 O HIS A 128 -11.998 1.320 -8.311 1.00 0.00 O ATOM 1154 CB HIS A 128 -14.528 -0.383 -8.880 1.00 0.00 C ATOM 1155 CG HIS A 128 -13.583 -1.142 -9.786 1.00 0.00 C ATOM 1156 ND1 HIS A 128 -13.379 -0.949 -11.129 1.00 0.00 N flip ATOM 1157 CD2 HIS A 128 -12.624 -2.027 -9.347 1.00 0.00 C flip ATOM 1158 CE1 HIS A 128 -12.275 -1.719 -11.499 1.00 0.00 C flip ATOM 1159 NE2 HIS A 128 -11.856 -2.357 -10.395 1.00 0.00 N flip ATOM 0 H HIS A 128 -15.962 1.347 -9.980 1.00 0.00 H new ATOM 0 HA HIS A 128 -14.401 1.414 -7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -14.468 -0.811 -7.879 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -15.547 -0.540 -9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -12.511 -2.391 -8.337 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -11.841 -1.788 -12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -11.066 -3.001 -10.359 1.00 0.00 H new ATOM 1167 N GLN A 129 -12.540 1.904 -10.405 1.00 0.00 N ATOM 1168 CA GLN A 129 -11.186 2.251 -10.818 1.00 0.00 C ATOM 1169 C GLN A 129 -10.724 3.498 -10.075 1.00 0.00 C ATOM 1170 O GLN A 129 -9.711 3.474 -9.375 1.00 0.00 O ATOM 1171 CB GLN A 129 -11.151 2.404 -12.345 1.00 0.00 C ATOM 1172 CG GLN A 129 -9.741 2.671 -12.881 1.00 0.00 C ATOM 1173 CD GLN A 129 -9.562 2.081 -14.278 1.00 0.00 C ATOM 1174 OE1 GLN A 129 -9.935 2.680 -15.283 1.00 0.00 O ATOM 1175 NE2 GLN A 129 -9.032 0.877 -14.375 1.00 0.00 N ATOM 0 H GLN A 129 -13.238 2.028 -11.139 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.484 1.459 -10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.545 1.498 -12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -11.808 3.223 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.557 3.745 -12.910 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -9.004 2.240 -12.204 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.725 0.386 -13.535 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -8.930 0.437 -15.290 1.00 0.00 H new ATOM 1184 N GLN A 130 -11.498 4.578 -10.186 1.00 0.00 N ATOM 1185 CA GLN A 130 -11.323 5.791 -9.416 1.00 0.00 C ATOM 1186 C GLN A 130 -11.231 5.524 -7.903 1.00 0.00 C ATOM 1187 O GLN A 130 -10.391 6.131 -7.237 1.00 0.00 O ATOM 1188 CB GLN A 130 -12.473 6.749 -9.790 1.00 0.00 C ATOM 1189 CG GLN A 130 -12.130 7.594 -11.024 1.00 0.00 C ATOM 1190 CD GLN A 130 -13.144 8.714 -11.308 1.00 0.00 C ATOM 1191 OE1 GLN A 130 -12.785 9.819 -11.720 1.00 0.00 O ATOM 1192 NE2 GLN A 130 -14.432 8.454 -11.143 1.00 0.00 N ATOM 0 H GLN A 130 -12.284 4.626 -10.835 1.00 0.00 H new ATOM 0 HA GLN A 130 -10.368 6.254 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -13.378 6.173 -9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.688 7.406 -8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -11.143 8.036 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.070 6.941 -11.895 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -14.728 7.539 -10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -15.128 9.168 -11.357 1.00 0.00 H new ATOM 1201 N VAL A 131 -12.031 4.600 -7.357 1.00 0.00 N ATOM 1202 CA VAL A 131 -11.901 4.171 -5.964 1.00 0.00 C ATOM 1203 C VAL A 131 -10.555 3.471 -5.779 1.00 0.00 C ATOM 1204 O VAL A 131 -9.777 3.887 -4.931 1.00 0.00 O ATOM 1205 CB VAL A 131 -13.079 3.270 -5.538 1.00 0.00 C ATOM 1206 CG1 VAL A 131 -12.964 2.768 -4.092 1.00 0.00 C ATOM 1207 CG2 VAL A 131 -14.402 4.028 -5.640 1.00 0.00 C ATOM 0 H VAL A 131 -12.781 4.133 -7.867 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.934 5.046 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 131 -13.048 2.417 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.823 2.140 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -12.048 2.187 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -12.939 3.620 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -15.220 3.375 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -14.372 4.901 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -14.559 4.349 -6.670 1.00 0.00 H new ATOM 1217 N LEU A 132 -10.278 2.416 -6.552 1.00 0.00 N ATOM 1218 CA LEU A 132 -9.158 1.498 -6.382 1.00 0.00 C ATOM 1219 C LEU A 132 -7.877 2.287 -6.292 1.00 0.00 C ATOM 1220 O LEU A 132 -7.097 2.014 -5.390 1.00 0.00 O ATOM 1221 CB LEU A 132 -9.035 0.461 -7.530 1.00 0.00 C ATOM 1222 CG LEU A 132 -9.284 -1.002 -7.132 1.00 0.00 C ATOM 1223 CD1 LEU A 132 -9.079 -1.971 -8.301 1.00 0.00 C ATOM 1224 CD2 LEU A 132 -8.384 -1.438 -5.976 1.00 0.00 C ATOM 0 H LEU A 132 -10.861 2.171 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 132 -9.344 0.940 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.741 0.730 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -8.036 0.537 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 132 -10.327 -1.043 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -9.268 -2.991 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -9.769 -1.721 -9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.054 -1.892 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.592 -2.478 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -7.339 -1.337 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -8.578 -0.810 -5.107 1.00 0.00 H new ATOM 1236 N TRP A 133 -7.682 3.241 -7.205 1.00 0.00 N ATOM 1237 CA TRP A 133 -6.527 4.118 -7.250 1.00 0.00 C ATOM 1238 C TRP A 133 -6.421 4.953 -5.975 1.00 0.00 C ATOM 1239 O TRP A 133 -5.420 4.835 -5.281 1.00 0.00 O ATOM 1240 CB TRP A 133 -6.558 4.973 -8.517 1.00 0.00 C ATOM 1241 CG TRP A 133 -5.354 4.858 -9.397 1.00 0.00 C ATOM 1242 CD1 TRP A 133 -4.737 5.909 -9.979 1.00 0.00 C ATOM 1243 CD2 TRP A 133 -4.652 3.662 -9.874 1.00 0.00 C ATOM 1244 NE1 TRP A 133 -3.706 5.454 -10.770 1.00 0.00 N ATOM 1245 CE2 TRP A 133 -3.651 4.080 -10.801 1.00 0.00 C ATOM 1246 CE3 TRP A 133 -4.757 2.269 -9.645 1.00 0.00 C ATOM 1247 CZ2 TRP A 133 -2.859 3.174 -11.520 1.00 0.00 C ATOM 1248 CZ3 TRP A 133 -3.949 1.355 -10.354 1.00 0.00 C ATOM 1249 CH2 TRP A 133 -3.022 1.801 -11.307 1.00 0.00 C ATOM 0 H TRP A 133 -8.350 3.424 -7.954 1.00 0.00 H new ATOM 0 HA TRP A 133 -5.623 3.511 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -7.439 4.700 -9.098 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -6.678 6.017 -8.228 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -5.010 6.945 -9.845 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -3.060 6.063 -11.273 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -5.465 1.901 -8.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -2.130 3.533 -12.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -4.046 0.297 -10.160 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -2.438 1.090 -11.872 1.00 0.00 H new ATOM 1260 N ARG A 134 -7.432 5.754 -5.618 1.00 0.00 N ATOM 1261 CA ARG A 134 -7.425 6.554 -4.382 1.00 0.00 C ATOM 1262 C ARG A 134 -7.154 5.684 -3.149 1.00 0.00 C ATOM 1263 O ARG A 134 -6.422 6.103 -2.251 1.00 0.00 O ATOM 1264 CB ARG A 134 -8.764 7.315 -4.304 1.00 0.00 C ATOM 1265 CG ARG A 134 -9.106 7.990 -2.965 1.00 0.00 C ATOM 1266 CD ARG A 134 -8.127 9.065 -2.497 1.00 0.00 C ATOM 1267 NE ARG A 134 -8.591 9.650 -1.226 1.00 0.00 N ATOM 1268 CZ ARG A 134 -7.856 10.374 -0.374 1.00 0.00 C ATOM 1269 NH1 ARG A 134 -6.581 10.619 -0.623 1.00 0.00 N ATOM 1270 NH2 ARG A 134 -8.410 10.827 0.744 1.00 0.00 N ATOM 0 H ARG A 134 -8.278 5.868 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 134 -6.610 7.277 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.764 8.081 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -9.565 6.617 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -10.097 8.437 -3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -9.167 7.220 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.135 8.633 -2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -8.039 9.844 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 134 -9.565 9.487 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.148 10.255 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.030 11.172 0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -9.388 10.622 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.857 11.380 1.399 1.00 0.00 H new ATOM 1284 N LEU A 135 -7.724 4.481 -3.112 1.00 0.00 N ATOM 1285 CA LEU A 135 -7.581 3.503 -2.049 1.00 0.00 C ATOM 1286 C LEU A 135 -6.122 3.019 -2.016 1.00 0.00 C ATOM 1287 O LEU A 135 -5.459 3.193 -1.005 1.00 0.00 O ATOM 1288 CB LEU A 135 -8.655 2.408 -2.255 1.00 0.00 C ATOM 1289 CG LEU A 135 -9.131 1.637 -1.009 1.00 0.00 C ATOM 1290 CD1 LEU A 135 -10.528 1.035 -1.229 1.00 0.00 C ATOM 1291 CD2 LEU A 135 -8.232 0.484 -0.598 1.00 0.00 C ATOM 0 H LEU A 135 -8.328 4.151 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 135 -7.765 3.913 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -9.526 2.873 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -8.265 1.684 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 135 -9.122 2.390 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -10.838 0.497 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.240 1.834 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -10.499 0.347 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.644 -0.001 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.171 -0.238 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -7.235 0.862 -0.373 1.00 0.00 H new ATOM 1303 N VAL A 136 -5.576 2.485 -3.113 1.00 0.00 N ATOM 1304 CA VAL A 136 -4.191 1.980 -3.155 1.00 0.00 C ATOM 1305 C VAL A 136 -3.160 3.099 -2.948 1.00 0.00 C ATOM 1306 O VAL A 136 -2.114 2.870 -2.339 1.00 0.00 O ATOM 1307 CB VAL A 136 -3.949 1.052 -4.378 1.00 0.00 C ATOM 1308 CG1 VAL A 136 -4.033 1.625 -5.776 1.00 0.00 C ATOM 1309 CG2 VAL A 136 -2.641 0.286 -4.321 1.00 0.00 C ATOM 0 H VAL A 136 -6.076 2.389 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.037 1.327 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.826 0.418 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.837 0.838 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.030 2.034 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.293 2.417 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.546 -0.338 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.809 0.989 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.627 -0.344 -3.432 1.00 0.00 H new ATOM 1319 N GLN A 137 -3.465 4.328 -3.369 1.00 0.00 N ATOM 1320 CA GLN A 137 -2.691 5.515 -3.034 1.00 0.00 C ATOM 1321 C GLN A 137 -2.608 5.658 -1.513 1.00 0.00 C ATOM 1322 O GLN A 137 -1.507 5.767 -0.971 1.00 0.00 O ATOM 1323 CB GLN A 137 -3.299 6.785 -3.657 1.00 0.00 C ATOM 1324 CG GLN A 137 -3.034 6.944 -5.162 1.00 0.00 C ATOM 1325 CD GLN A 137 -3.902 8.026 -5.812 1.00 0.00 C ATOM 1326 OE1 GLN A 137 -4.545 8.840 -5.148 1.00 0.00 O ATOM 1327 NE2 GLN A 137 -3.955 8.046 -7.134 1.00 0.00 N ATOM 0 H GLN A 137 -4.271 4.525 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.689 5.397 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.376 6.777 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -2.901 7.656 -3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -1.983 7.188 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -3.217 5.992 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.419 7.368 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -4.532 8.739 -7.611 1.00 0.00 H new ATOM 1336 N GLU A 138 -3.753 5.650 -0.818 1.00 0.00 N ATOM 1337 CA GLU A 138 -3.785 5.855 0.627 1.00 0.00 C ATOM 1338 C GLU A 138 -3.070 4.721 1.354 1.00 0.00 C ATOM 1339 O GLU A 138 -2.339 4.985 2.305 1.00 0.00 O ATOM 1340 CB GLU A 138 -5.229 5.989 1.146 1.00 0.00 C ATOM 1341 CG GLU A 138 -5.274 6.694 2.515 1.00 0.00 C ATOM 1342 CD GLU A 138 -4.725 8.127 2.454 1.00 0.00 C ATOM 1343 OE1 GLU A 138 -5.032 8.860 1.491 1.00 0.00 O ATOM 1344 OE2 GLU A 138 -3.926 8.512 3.337 1.00 0.00 O ATOM 0 H GLU A 138 -4.670 5.503 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.262 6.789 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -5.825 6.551 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -5.680 5.000 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.303 6.717 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.696 6.117 3.237 1.00 0.00 H new ATOM 1351 N LEU A 139 -3.255 3.481 0.891 1.00 0.00 N ATOM 1352 CA LEU A 139 -2.627 2.292 1.454 1.00 0.00 C ATOM 1353 C LEU A 139 -1.110 2.478 1.506 1.00 0.00 C ATOM 1354 O LEU A 139 -0.550 2.371 2.593 1.00 0.00 O ATOM 1355 CB LEU A 139 -3.063 1.023 0.692 1.00 0.00 C ATOM 1356 CG LEU A 139 -4.339 0.325 1.219 1.00 0.00 C ATOM 1357 CD1 LEU A 139 -5.447 1.245 1.744 1.00 0.00 C ATOM 1358 CD2 LEU A 139 -4.965 -0.546 0.116 1.00 0.00 C ATOM 0 H LEU A 139 -3.860 3.276 0.096 1.00 0.00 H new ATOM 0 HA LEU A 139 -2.965 2.153 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.222 1.287 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -2.242 0.306 0.719 1.00 0.00 H new ATOM 0 HG LEU A 139 -3.976 -0.252 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.289 0.643 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -5.064 1.838 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -5.777 1.910 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -5.862 -1.031 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -5.228 0.080 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -4.249 -1.305 -0.199 1.00 0.00 H new ATOM 1370 N CYS A 140 -0.449 2.796 0.386 1.00 0.00 N ATOM 1371 CA CYS A 140 1.007 2.968 0.414 1.00 0.00 C ATOM 1372 C CYS A 140 1.397 4.210 1.217 1.00 0.00 C ATOM 1373 O CYS A 140 2.330 4.166 2.018 1.00 0.00 O ATOM 1374 CB CYS A 140 1.609 2.999 -1.004 1.00 0.00 C ATOM 1375 SG CYS A 140 3.128 2.012 -1.166 1.00 0.00 S ATOM 0 H CYS A 140 -0.884 2.936 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 140 1.429 2.099 0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 140 0.868 2.631 -1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 140 1.825 4.032 -1.276 1.00 0.00 H new ATOM 1380 N SER A 141 0.690 5.323 1.008 1.00 0.00 N ATOM 1381 CA SER A 141 0.981 6.603 1.636 1.00 0.00 C ATOM 1382 C SER A 141 0.984 6.494 3.166 1.00 0.00 C ATOM 1383 O SER A 141 1.960 6.873 3.818 1.00 0.00 O ATOM 1384 CB SER A 141 -0.058 7.613 1.145 1.00 0.00 C ATOM 1385 OG SER A 141 0.245 8.888 1.647 1.00 0.00 O ATOM 0 H SER A 141 -0.116 5.355 0.384 1.00 0.00 H new ATOM 0 HA SER A 141 1.981 6.934 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 141 -0.071 7.635 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 141 -1.054 7.311 1.470 1.00 0.00 H new ATOM 0 HG SER A 141 -0.503 9.211 2.191 1.00 0.00 H new ATOM 1391 N LEU A 142 -0.095 5.944 3.732 1.00 0.00 N ATOM 1392 CA LEU A 142 -0.477 5.844 5.131 1.00 0.00 C ATOM 1393 C LEU A 142 0.049 6.970 6.025 1.00 0.00 C ATOM 1394 O LEU A 142 -0.658 7.973 6.167 1.00 0.00 O ATOM 1395 CB LEU A 142 -0.254 4.410 5.642 1.00 0.00 C ATOM 1396 CG LEU A 142 -1.504 3.808 6.299 1.00 0.00 C ATOM 1397 CD1 LEU A 142 -1.910 4.572 7.562 1.00 0.00 C ATOM 1398 CD2 LEU A 142 -2.708 3.662 5.354 1.00 0.00 C ATOM 0 H LEU A 142 -0.803 5.507 3.141 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.550 6.026 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.053 3.777 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.564 4.410 6.362 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.207 2.796 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -2.799 4.113 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -1.095 4.538 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -2.126 5.609 7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -3.547 3.229 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.991 4.642 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -2.441 3.011 4.522 1.00 0.00 H new ATOM 1410 N LYS A 143 1.249 6.856 6.604 1.00 0.00 N ATOM 1411 CA LYS A 143 1.954 8.002 7.182 1.00 0.00 C ATOM 1412 C LYS A 143 3.261 8.232 6.429 1.00 0.00 C ATOM 1413 O LYS A 143 3.388 9.311 5.854 1.00 0.00 O ATOM 1414 CB LYS A 143 2.146 7.884 8.700 1.00 0.00 C ATOM 1415 CG LYS A 143 0.838 7.976 9.501 1.00 0.00 C ATOM 1416 CD LYS A 143 1.125 8.211 10.994 1.00 0.00 C ATOM 1417 CE LYS A 143 -0.175 8.244 11.809 1.00 0.00 C ATOM 1418 NZ LYS A 143 0.047 8.528 13.246 1.00 0.00 N ATOM 0 H LYS A 143 1.754 5.974 6.684 1.00 0.00 H new ATOM 0 HA LYS A 143 1.330 8.887 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 143 2.631 6.933 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 143 2.821 8.672 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 143 0.225 8.789 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.265 7.057 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 143 1.774 7.421 11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 143 1.661 9.152 11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -0.838 9.002 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -0.684 7.285 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -0.866 8.537 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 0.657 7.791 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 0.507 9.455 13.350 1.00 0.00 H new ATOM 1432 N HIS A 144 4.188 7.257 6.456 1.00 0.00 N ATOM 1433 CA HIS A 144 5.372 7.045 5.599 1.00 0.00 C ATOM 1434 C HIS A 144 6.254 5.910 6.159 1.00 0.00 C ATOM 1435 O HIS A 144 5.999 5.448 7.279 1.00 0.00 O ATOM 1436 CB HIS A 144 6.219 8.311 5.337 1.00 0.00 C ATOM 1437 CG HIS A 144 7.339 8.681 6.274 1.00 0.00 C ATOM 1438 ND1 HIS A 144 7.770 8.061 7.429 1.00 0.00 N ATOM 1439 CD2 HIS A 144 8.242 9.653 5.969 1.00 0.00 C ATOM 1440 CE1 HIS A 144 8.925 8.642 7.790 1.00 0.00 C ATOM 1441 NE2 HIS A 144 9.241 9.625 6.935 1.00 0.00 N ATOM 0 H HIS A 144 4.119 6.517 7.155 1.00 0.00 H new ATOM 0 HA HIS A 144 4.972 6.760 4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 144 6.651 8.211 4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 144 5.533 9.157 5.303 1.00 0.00 H new ATOM 0 HD2 HIS A 144 8.191 10.326 5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 144 9.516 8.358 8.648 1.00 0.00 H new ATOM 0 HE2 HIS A 144 10.057 10.235 6.984 1.00 0.00 H new ATOM 1449 N CYS A 145 7.369 5.591 5.486 1.00 0.00 N ATOM 1450 CA CYS A 145 8.554 4.862 5.954 1.00 0.00 C ATOM 1451 C CYS A 145 9.815 5.482 5.302 1.00 0.00 C ATOM 1452 O CYS A 145 10.698 4.769 4.834 1.00 0.00 O ATOM 1453 CB CYS A 145 8.406 3.366 5.609 1.00 0.00 C ATOM 1454 SG CYS A 145 9.173 2.153 6.733 1.00 0.00 S ATOM 0 H CYS A 145 7.472 5.863 4.508 1.00 0.00 H new ATOM 0 HA CYS A 145 8.654 4.944 7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 145 7.341 3.140 5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 145 8.822 3.209 4.614 1.00 0.00 H new ATOM 1459 N GLU A 146 9.895 6.810 5.168 1.00 0.00 N ATOM 1460 CA GLU A 146 10.886 7.483 4.326 1.00 0.00 C ATOM 1461 C GLU A 146 11.542 8.634 5.118 1.00 0.00 C ATOM 1462 O GLU A 146 12.013 8.404 6.234 1.00 0.00 O ATOM 1463 CB GLU A 146 10.230 7.895 2.993 1.00 0.00 C ATOM 1464 CG GLU A 146 9.891 6.746 2.016 1.00 0.00 C ATOM 1465 CD GLU A 146 8.716 5.843 2.392 1.00 0.00 C ATOM 1466 OE1 GLU A 146 7.673 6.374 2.838 1.00 0.00 O ATOM 1467 OE2 GLU A 146 8.786 4.606 2.214 1.00 0.00 O ATOM 0 H GLU A 146 9.266 7.454 5.647 1.00 0.00 H new ATOM 0 HA GLU A 146 11.704 6.815 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 146 9.311 8.437 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 146 10.896 8.592 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 146 9.685 7.182 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 146 10.777 6.121 1.906 1.00 0.00 H new ATOM 1474 N PHE A 147 11.609 9.849 4.558 1.00 0.00 N ATOM 1475 CA PHE A 147 12.171 11.038 5.215 1.00 0.00 C ATOM 1476 C PHE A 147 11.155 12.184 5.317 1.00 0.00 C ATOM 1477 O PHE A 147 11.358 13.121 6.084 1.00 0.00 O ATOM 1478 CB PHE A 147 13.427 11.514 4.470 1.00 0.00 C ATOM 1479 CG PHE A 147 13.146 12.464 3.313 1.00 0.00 C ATOM 1480 CD1 PHE A 147 12.753 11.976 2.054 1.00 0.00 C ATOM 1481 CD2 PHE A 147 13.236 13.855 3.512 1.00 0.00 C ATOM 1482 CE1 PHE A 147 12.526 12.867 0.992 1.00 0.00 C ATOM 1483 CE2 PHE A 147 12.986 14.749 2.457 1.00 0.00 C ATOM 1484 CZ PHE A 147 12.641 14.253 1.190 1.00 0.00 C ATOM 0 H PHE A 147 11.267 10.037 3.616 1.00 0.00 H new ATOM 0 HA PHE A 147 12.437 10.747 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 147 14.090 12.010 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 147 13.961 10.644 4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 147 12.625 10.914 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 147 13.500 14.239 4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 147 12.261 12.484 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 147 13.059 15.814 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 147 12.465 14.934 0.371 1.00 0.00 H new ATOM 1494 N TRP A 148 10.065 12.124 4.544 1.00 0.00 N ATOM 1495 CA TRP A 148 8.993 13.113 4.544 1.00 0.00 C ATOM 1496 C TRP A 148 8.050 12.876 5.736 1.00 0.00 C ATOM 1497 O TRP A 148 6.831 12.804 5.581 1.00 0.00 O ATOM 1498 CB TRP A 148 8.295 13.089 3.169 1.00 0.00 C ATOM 1499 CG TRP A 148 8.089 11.761 2.499 1.00 0.00 C ATOM 1500 CD1 TRP A 148 9.011 11.115 1.751 1.00 0.00 C ATOM 1501 CD2 TRP A 148 6.895 10.920 2.472 1.00 0.00 C ATOM 1502 NE1 TRP A 148 8.468 9.954 1.246 1.00 0.00 N ATOM 1503 CE2 TRP A 148 7.181 9.767 1.686 1.00 0.00 C ATOM 1504 CE3 TRP A 148 5.612 10.991 3.048 1.00 0.00 C ATOM 1505 CZ2 TRP A 148 6.265 8.726 1.510 1.00 0.00 C ATOM 1506 CZ3 TRP A 148 4.684 9.942 2.888 1.00 0.00 C ATOM 1507 CH2 TRP A 148 5.008 8.805 2.126 1.00 0.00 C ATOM 0 H TRP A 148 9.904 11.363 3.884 1.00 0.00 H new ATOM 0 HA TRP A 148 9.386 14.120 4.683 1.00 0.00 H new ATOM 0 HB2 TRP A 148 7.318 13.559 3.284 1.00 0.00 H new ATOM 0 HB3 TRP A 148 8.873 13.717 2.491 1.00 0.00 H new ATOM 0 HD1 TRP A 148 10.020 11.457 1.576 1.00 0.00 H new ATOM 0 HE1 TRP A 148 8.960 9.314 0.623 1.00 0.00 H new ATOM 0 HE3 TRP A 148 5.335 11.863 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 148 6.523 7.869 0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 148 3.713 10.012 3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 148 4.296 8.001 2.016 1.00 0.00 H new