USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 761 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 138 THR OG1 : rot -85:sc= -0.147 USER MOD Set 1.2: A 140 SER OG : rot 159:sc= -2.18 USER MOD Set 2.1: A 89 MET CE :methyl -149:sc= -0.336 (180deg=-0.875) USER MOD Set 2.2: A 137 HIS : no HE2:sc= -2.12 X(o=-2.5,f=-2.6) USER MOD Set 3.1: A 101 SER OG : rot -100:sc= 1.07 USER MOD Set 3.2: A 107 LYS NZ :NH3+ -154:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 56 TYR OH : rot 78:sc= -0.942 USER MOD Set 4.2: A 118 HIS : no HE2:sc= -6! C(o=-6.9!,f=-12!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.274 USER MOD Single : A 51 SER OG : rot 78:sc= 1.11 USER MOD Single : A 55 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -12:sc= 0.69 USER MOD Single : A 82 ASN : amide:sc= -3.43 K(o=-3.4,f=-2.1!) USER MOD Single : A 85 SER OG : rot -97:sc= 0.374 USER MOD Single : A 86 ASN : amide:sc= -0.775 K(o=-0.77,f=-4.9!) USER MOD Single : A 87 ASN : amide:sc= -0.705 K(o=-0.71,f=-0.086) USER MOD Single : A 90 MET CE :methyl 161:sc= -8.03! (180deg=-8.93!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 93 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-6.8!) USER MOD Single : A 96 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -42:sc= 0.32 USER MOD Single : A 106 ASN : amide:sc= -6.29! C(o=-6.3!,f=-11!) USER MOD Single : A 110 TYR OH : rot 80:sc= -2.34 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.03 USER MOD Single : A 125 GLN : amide:sc= 1.03 K(o=1,f=-1.1) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.54) USER MOD Single : A 131 ASN : amide:sc= -4.91! C(o=-4.9!,f=-13!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 SER OG : rot 180:sc= -2.96 USER MOD Single : A 148 ASN : amide:sc= -2.68! C(o=-2.7!,f=-1.8!) USER MOD Single : A 150 HIS : no HD1:sc= -12.1! C(o=-12!,f=-14!) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 37 6.348 -10.593 6.760 1.00 0.00 N ATOM 14 CA PHE A 37 7.528 -9.807 6.422 1.00 0.00 C ATOM 15 C PHE A 37 8.799 -10.476 6.942 1.00 0.00 C ATOM 16 O PHE A 37 9.801 -9.809 7.197 1.00 0.00 O ATOM 17 CB PHE A 37 7.410 -8.395 7.001 1.00 0.00 C ATOM 18 CG PHE A 37 6.057 -7.765 6.807 1.00 0.00 C ATOM 19 CD1 PHE A 37 5.568 -6.855 7.730 1.00 0.00 C ATOM 20 CD2 PHE A 37 5.275 -8.080 5.705 1.00 0.00 C ATOM 21 CE1 PHE A 37 4.327 -6.271 7.560 1.00 0.00 C ATOM 22 CE2 PHE A 37 4.033 -7.499 5.529 1.00 0.00 C ATOM 23 CZ PHE A 37 3.558 -6.593 6.459 1.00 0.00 C ATOM 0 HA PHE A 37 7.590 -9.744 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.633 -8.431 8.067 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.165 -7.759 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.164 -6.599 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.641 -8.788 4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.959 -5.563 8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.435 -7.752 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.588 -6.138 6.325 1.00 0.00 H new ATOM 33 N ALA A 38 8.749 -11.795 7.101 1.00 0.00 N ATOM 34 CA ALA A 38 9.894 -12.549 7.593 1.00 0.00 C ATOM 35 C ALA A 38 10.963 -12.701 6.516 1.00 0.00 C ATOM 36 O ALA A 38 12.159 -12.686 6.808 1.00 0.00 O ATOM 37 CB ALA A 38 9.450 -13.916 8.093 1.00 0.00 C ATOM 0 H ALA A 38 7.927 -12.363 6.896 1.00 0.00 H new ATOM 0 HA ALA A 38 10.331 -11.992 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.316 -14.469 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.731 -13.791 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.984 -14.468 7.277 1.00 0.00 H new ATOM 43 N ASP A 39 10.525 -12.849 5.272 1.00 0.00 N ATOM 44 CA ASP A 39 11.445 -13.007 4.150 1.00 0.00 C ATOM 45 C ASP A 39 11.208 -11.945 3.077 1.00 0.00 C ATOM 46 O ASP A 39 11.801 -11.998 2.000 1.00 0.00 O ATOM 47 CB ASP A 39 11.294 -14.402 3.540 1.00 0.00 C ATOM 48 CG ASP A 39 12.410 -15.339 3.957 1.00 0.00 C ATOM 49 OD1 ASP A 39 12.102 -16.444 4.451 1.00 0.00 O ATOM 50 OD2 ASP A 39 13.590 -14.969 3.789 1.00 0.00 O ATOM 0 H ASP A 39 9.538 -12.863 5.013 1.00 0.00 H new ATOM 0 HA ASP A 39 12.459 -12.883 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.336 -14.826 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.279 -14.321 2.453 1.00 0.00 H new ATOM 55 N ALA A 40 10.339 -10.981 3.374 1.00 0.00 N ATOM 56 CA ALA A 40 10.032 -9.915 2.430 1.00 0.00 C ATOM 57 C ALA A 40 11.288 -9.141 2.046 1.00 0.00 C ATOM 58 O ALA A 40 12.029 -8.674 2.911 1.00 0.00 O ATOM 59 CB ALA A 40 8.993 -8.974 3.021 1.00 0.00 C ATOM 0 H ALA A 40 9.837 -10.918 4.260 1.00 0.00 H new ATOM 0 HA ALA A 40 9.627 -10.369 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.772 -8.181 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.081 -9.530 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.380 -8.536 3.941 1.00 0.00 H new ATOM 65 N GLN A 41 11.520 -9.006 0.744 1.00 0.00 N ATOM 66 CA GLN A 41 12.686 -8.283 0.250 1.00 0.00 C ATOM 67 C GLN A 41 12.628 -6.823 0.679 1.00 0.00 C ATOM 68 O GLN A 41 11.618 -6.365 1.213 1.00 0.00 O ATOM 69 CB GLN A 41 12.767 -8.379 -1.275 1.00 0.00 C ATOM 70 CG GLN A 41 14.169 -8.173 -1.825 1.00 0.00 C ATOM 71 CD GLN A 41 14.341 -8.754 -3.215 1.00 0.00 C ATOM 72 OE1 GLN A 41 14.371 -9.972 -3.392 1.00 0.00 O ATOM 73 NE2 GLN A 41 14.456 -7.882 -4.210 1.00 0.00 N ATOM 0 H GLN A 41 10.918 -9.387 0.014 1.00 0.00 H new ATOM 0 HA GLN A 41 13.579 -8.738 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.403 -9.357 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.101 -7.636 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.392 -7.106 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.891 -8.633 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.426 -6.881 -4.017 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.575 -8.213 -5.167 1.00 0.00 H new ATOM 82 N THR A 42 13.713 -6.094 0.447 1.00 0.00 N ATOM 83 CA THR A 42 13.769 -4.686 0.817 1.00 0.00 C ATOM 84 C THR A 42 14.609 -3.885 -0.173 1.00 0.00 C ATOM 85 O THR A 42 15.559 -4.400 -0.761 1.00 0.00 O ATOM 86 CB THR A 42 14.335 -4.529 2.233 1.00 0.00 C ATOM 87 OG1 THR A 42 14.745 -5.781 2.754 1.00 0.00 O ATOM 88 CG2 THR A 42 13.345 -3.929 3.207 1.00 0.00 C ATOM 0 H THR A 42 14.561 -6.452 0.007 1.00 0.00 H new ATOM 0 HA THR A 42 12.752 -4.295 0.793 1.00 0.00 H new ATOM 0 HB THR A 42 15.181 -3.849 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.104 -5.658 3.657 1.00 0.00 H new ATOM 0 HG21 THR A 42 13.808 -3.845 4.190 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.047 -2.940 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.466 -4.570 3.273 1.00 0.00 H new ATOM 96 N ARG A 43 14.246 -2.619 -0.344 1.00 0.00 N ATOM 97 CA ARG A 43 14.953 -1.727 -1.252 1.00 0.00 C ATOM 98 C ARG A 43 14.627 -0.276 -0.920 1.00 0.00 C ATOM 99 O ARG A 43 13.618 0.005 -0.277 1.00 0.00 O ATOM 100 CB ARG A 43 14.573 -2.032 -2.703 1.00 0.00 C ATOM 101 CG ARG A 43 15.226 -1.100 -3.713 1.00 0.00 C ATOM 102 CD ARG A 43 14.821 -1.452 -5.136 1.00 0.00 C ATOM 103 NE ARG A 43 13.423 -1.125 -5.405 1.00 0.00 N ATOM 104 CZ ARG A 43 12.905 -1.035 -6.627 1.00 0.00 C ATOM 105 NH1 ARG A 43 13.664 -1.246 -7.695 1.00 0.00 N ATOM 106 NH2 ARG A 43 11.623 -0.734 -6.782 1.00 0.00 N ATOM 0 H ARG A 43 13.459 -2.186 0.139 1.00 0.00 H new ATOM 0 HA ARG A 43 16.025 -1.886 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.854 -3.059 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.490 -1.966 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.942 -0.070 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.310 -1.159 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.460 -0.916 -5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.983 -2.516 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 43 12.808 -0.956 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.651 -1.479 -7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.261 -1.175 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.035 -0.572 -5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.225 -0.665 -7.719 1.00 0.00 H new ATOM 120 N LYS A 44 15.482 0.643 -1.349 1.00 0.00 N ATOM 121 CA LYS A 44 15.266 2.056 -1.077 1.00 0.00 C ATOM 122 C LYS A 44 14.286 2.668 -2.070 1.00 0.00 C ATOM 123 O LYS A 44 14.320 2.368 -3.263 1.00 0.00 O ATOM 124 CB LYS A 44 16.591 2.815 -1.108 1.00 0.00 C ATOM 125 CG LYS A 44 16.922 3.478 0.215 1.00 0.00 C ATOM 126 CD LYS A 44 18.104 4.425 0.085 1.00 0.00 C ATOM 127 CE LYS A 44 18.247 5.313 1.312 1.00 0.00 C ATOM 128 NZ LYS A 44 18.020 6.749 0.987 1.00 0.00 N ATOM 0 H LYS A 44 16.326 0.436 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 44 14.833 2.140 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.393 2.126 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.551 3.574 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.052 4.028 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.147 2.714 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.019 3.849 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.978 5.046 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.535 4.996 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.244 5.190 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.126 7.321 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.715 7.059 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.060 6.871 0.607 1.00 0.00 H new ATOM 142 N LEU A 45 13.414 3.529 -1.560 1.00 0.00 N ATOM 143 CA LEU A 45 12.415 4.194 -2.385 1.00 0.00 C ATOM 144 C LEU A 45 12.994 5.441 -3.047 1.00 0.00 C ATOM 145 O LEU A 45 13.533 6.320 -2.374 1.00 0.00 O ATOM 146 CB LEU A 45 11.195 4.565 -1.535 1.00 0.00 C ATOM 147 CG LEU A 45 9.965 5.043 -2.313 1.00 0.00 C ATOM 148 CD1 LEU A 45 9.783 4.241 -3.591 1.00 0.00 C ATOM 149 CD2 LEU A 45 8.721 4.941 -1.442 1.00 0.00 C ATOM 0 H LEU A 45 13.379 3.784 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 45 12.107 3.505 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.911 3.696 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.487 5.348 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 45 10.119 6.086 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.903 4.601 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.663 4.359 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.652 3.187 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.853 5.283 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.572 3.904 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.846 5.562 -0.555 1.00 0.00 H new ATOM 161 N THR A 46 12.879 5.510 -4.369 1.00 0.00 N ATOM 162 CA THR A 46 13.392 6.648 -5.127 1.00 0.00 C ATOM 163 C THR A 46 12.574 7.905 -4.842 1.00 0.00 C ATOM 164 O THR A 46 11.402 7.821 -4.476 1.00 0.00 O ATOM 165 CB THR A 46 13.367 6.347 -6.627 1.00 0.00 C ATOM 166 OG1 THR A 46 12.058 6.505 -7.147 1.00 0.00 O ATOM 167 CG2 THR A 46 13.833 4.947 -6.970 1.00 0.00 C ATOM 0 H THR A 46 12.435 4.791 -4.939 1.00 0.00 H new ATOM 0 HA THR A 46 14.422 6.822 -4.814 1.00 0.00 H new ATOM 0 HB THR A 46 14.060 7.059 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.062 6.310 -8.107 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.789 4.803 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.859 4.811 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.187 4.218 -6.480 1.00 0.00 H new ATOM 175 N PRO A 47 13.181 9.092 -5.016 1.00 0.00 N ATOM 176 CA PRO A 47 12.494 10.365 -4.783 1.00 0.00 C ATOM 177 C PRO A 47 11.273 10.523 -5.680 1.00 0.00 C ATOM 178 O PRO A 47 10.261 11.094 -5.274 1.00 0.00 O ATOM 179 CB PRO A 47 13.552 11.424 -5.122 1.00 0.00 C ATOM 180 CG PRO A 47 14.571 10.710 -5.943 1.00 0.00 C ATOM 181 CD PRO A 47 14.570 9.289 -5.458 1.00 0.00 C ATOM 0 HA PRO A 47 12.118 10.444 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.114 12.256 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 47 13.996 11.840 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.323 10.761 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 47 15.555 11.163 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.844 8.592 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.278 9.140 -4.643 1.00 0.00 H new ATOM 189 N GLU A 48 11.371 10.003 -6.898 1.00 0.00 N ATOM 190 CA GLU A 48 10.270 10.077 -7.848 1.00 0.00 C ATOM 191 C GLU A 48 9.093 9.243 -7.357 1.00 0.00 C ATOM 192 O GLU A 48 7.953 9.712 -7.327 1.00 0.00 O ATOM 193 CB GLU A 48 10.723 9.592 -9.228 1.00 0.00 C ATOM 194 CG GLU A 48 10.889 10.714 -10.240 1.00 0.00 C ATOM 195 CD GLU A 48 11.041 10.202 -11.658 1.00 0.00 C ATOM 196 OE1 GLU A 48 10.389 10.761 -12.565 1.00 0.00 O ATOM 197 OE2 GLU A 48 11.813 9.241 -11.863 1.00 0.00 O ATOM 0 H GLU A 48 12.201 9.526 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 48 9.952 11.116 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.670 9.063 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.996 8.874 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.025 11.376 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.763 11.309 -9.977 1.00 0.00 H new ATOM 204 N GLU A 49 9.377 8.004 -6.964 1.00 0.00 N ATOM 205 CA GLU A 49 8.341 7.110 -6.466 1.00 0.00 C ATOM 206 C GLU A 49 7.752 7.644 -5.166 1.00 0.00 C ATOM 207 O GLU A 49 6.550 7.534 -4.925 1.00 0.00 O ATOM 208 CB GLU A 49 8.908 5.705 -6.247 1.00 0.00 C ATOM 209 CG GLU A 49 9.378 5.033 -7.527 1.00 0.00 C ATOM 210 CD GLU A 49 10.340 3.891 -7.269 1.00 0.00 C ATOM 211 OE1 GLU A 49 11.203 4.031 -6.377 1.00 0.00 O ATOM 212 OE2 GLU A 49 10.230 2.854 -7.957 1.00 0.00 O ATOM 0 H GLU A 49 10.313 7.599 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 49 7.548 7.057 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.743 5.764 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.145 5.083 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.513 4.658 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.862 5.773 -8.165 1.00 0.00 H new ATOM 219 N ARG A 50 8.607 8.230 -4.334 1.00 0.00 N ATOM 220 CA ARG A 50 8.166 8.788 -3.061 1.00 0.00 C ATOM 221 C ARG A 50 7.356 10.059 -3.288 1.00 0.00 C ATOM 222 O ARG A 50 6.426 10.357 -2.540 1.00 0.00 O ATOM 223 CB ARG A 50 9.367 9.077 -2.157 1.00 0.00 C ATOM 224 CG ARG A 50 9.303 8.356 -0.821 1.00 0.00 C ATOM 225 CD ARG A 50 10.381 8.845 0.133 1.00 0.00 C ATOM 226 NE ARG A 50 11.715 8.400 -0.269 1.00 0.00 N ATOM 227 CZ ARG A 50 12.564 9.138 -0.984 1.00 0.00 C ATOM 228 NH1 ARG A 50 12.220 10.351 -1.402 1.00 0.00 N ATOM 229 NH2 ARG A 50 13.763 8.658 -1.287 1.00 0.00 N ATOM 0 H ARG A 50 9.605 8.331 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 50 7.529 8.054 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.281 8.786 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.429 10.151 -1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.322 8.509 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.417 7.284 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.360 9.934 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.166 8.483 1.138 1.00 0.00 H new ATOM 0 HE ARG A 50 12.014 7.467 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.299 10.726 -1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.877 10.908 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.034 7.726 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.414 9.221 -1.834 1.00 0.00 H new ATOM 243 N SER A 51 7.710 10.800 -4.334 1.00 0.00 N ATOM 244 CA SER A 51 7.008 12.033 -4.666 1.00 0.00 C ATOM 245 C SER A 51 5.566 11.731 -5.049 1.00 0.00 C ATOM 246 O SER A 51 4.627 12.320 -4.509 1.00 0.00 O ATOM 247 CB SER A 51 7.715 12.757 -5.813 1.00 0.00 C ATOM 248 OG SER A 51 8.871 13.434 -5.352 1.00 0.00 O ATOM 0 H SER A 51 8.477 10.568 -4.964 1.00 0.00 H new ATOM 0 HA SER A 51 7.012 12.680 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.993 12.039 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.031 13.470 -6.274 1.00 0.00 H new ATOM 0 HG SER A 51 9.598 12.789 -5.222 1.00 0.00 H new ATOM 254 N ALA A 52 5.397 10.797 -5.976 1.00 0.00 N ATOM 255 CA ALA A 52 4.070 10.404 -6.423 1.00 0.00 C ATOM 256 C ALA A 52 3.268 9.853 -5.257 1.00 0.00 C ATOM 257 O ALA A 52 2.121 10.236 -5.042 1.00 0.00 O ATOM 258 CB ALA A 52 4.159 9.378 -7.539 1.00 0.00 C ATOM 0 H ALA A 52 6.162 10.299 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 52 3.562 11.286 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.155 9.099 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.702 9.804 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.685 8.493 -7.179 1.00 0.00 H new ATOM 264 N VAL A 53 3.893 8.966 -4.493 1.00 0.00 N ATOM 265 CA VAL A 53 3.251 8.375 -3.327 1.00 0.00 C ATOM 266 C VAL A 53 2.713 9.471 -2.419 1.00 0.00 C ATOM 267 O VAL A 53 1.558 9.434 -1.998 1.00 0.00 O ATOM 268 CB VAL A 53 4.233 7.481 -2.540 1.00 0.00 C ATOM 269 CG1 VAL A 53 3.618 7.017 -1.226 1.00 0.00 C ATOM 270 CG2 VAL A 53 4.657 6.290 -3.385 1.00 0.00 C ATOM 0 H VAL A 53 4.845 8.640 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 53 2.427 7.752 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 53 5.118 8.072 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.331 6.389 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.369 7.884 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.713 6.445 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.349 5.669 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.779 5.703 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.147 6.644 -4.292 1.00 0.00 H new ATOM 280 N GLU A 54 3.554 10.458 -2.143 1.00 0.00 N ATOM 281 CA GLU A 54 3.160 11.582 -1.305 1.00 0.00 C ATOM 282 C GLU A 54 1.953 12.285 -1.915 1.00 0.00 C ATOM 283 O GLU A 54 1.064 12.753 -1.203 1.00 0.00 O ATOM 284 CB GLU A 54 4.325 12.564 -1.146 1.00 0.00 C ATOM 285 CG GLU A 54 4.806 12.709 0.288 1.00 0.00 C ATOM 286 CD GLU A 54 5.391 14.079 0.571 1.00 0.00 C ATOM 287 OE1 GLU A 54 6.585 14.151 0.932 1.00 0.00 O ATOM 288 OE2 GLU A 54 4.656 15.079 0.432 1.00 0.00 O ATOM 0 H GLU A 54 4.513 10.503 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 54 2.889 11.208 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.157 12.232 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.019 13.542 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.973 12.526 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.558 11.947 0.494 1.00 0.00 H new ATOM 295 N ASN A 55 1.927 12.340 -3.244 1.00 0.00 N ATOM 296 CA ASN A 55 0.827 12.969 -3.965 1.00 0.00 C ATOM 297 C ASN A 55 -0.421 12.091 -3.908 1.00 0.00 C ATOM 298 O ASN A 55 -1.547 12.589 -3.907 1.00 0.00 O ATOM 299 CB ASN A 55 1.223 13.217 -5.422 1.00 0.00 C ATOM 300 CG ASN A 55 2.273 14.300 -5.558 1.00 0.00 C ATOM 301 OD1 ASN A 55 2.208 15.332 -4.890 1.00 0.00 O ATOM 302 ND2 ASN A 55 3.249 14.071 -6.428 1.00 0.00 N ATOM 0 H ASN A 55 2.657 11.955 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 55 0.605 13.924 -3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.601 12.291 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.338 13.498 -5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.984 14.765 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.264 13.201 -6.961 1.00 0.00 H new ATOM 309 N TYR A 56 -0.208 10.779 -3.859 1.00 0.00 N ATOM 310 CA TYR A 56 -1.300 9.819 -3.800 1.00 0.00 C ATOM 311 C TYR A 56 -1.934 9.817 -2.410 1.00 0.00 C ATOM 312 O TYR A 56 -3.158 9.787 -2.273 1.00 0.00 O ATOM 313 CB TYR A 56 -0.773 8.422 -4.165 1.00 0.00 C ATOM 314 CG TYR A 56 -1.601 7.277 -3.627 1.00 0.00 C ATOM 315 CD1 TYR A 56 -1.122 6.470 -2.603 1.00 0.00 C ATOM 316 CD2 TYR A 56 -2.861 7.004 -4.142 1.00 0.00 C ATOM 317 CE1 TYR A 56 -1.873 5.426 -2.107 1.00 0.00 C ATOM 318 CE2 TYR A 56 -3.621 5.959 -3.650 1.00 0.00 C ATOM 319 CZ TYR A 56 -3.121 5.173 -2.633 1.00 0.00 C ATOM 320 OH TYR A 56 -3.873 4.135 -2.138 1.00 0.00 O ATOM 0 H TYR A 56 0.720 10.356 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.070 10.103 -4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.724 8.339 -5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.246 8.323 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.144 6.664 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.254 7.617 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.485 4.809 -1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.600 5.759 -4.060 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.286 4.405 -1.291 1.00 0.00 H new ATOM 330 N LEU A 57 -1.090 9.857 -1.385 1.00 0.00 N ATOM 331 CA LEU A 57 -1.560 9.867 -0.006 1.00 0.00 C ATOM 332 C LEU A 57 -2.195 11.211 0.338 1.00 0.00 C ATOM 333 O LEU A 57 -3.178 11.277 1.077 1.00 0.00 O ATOM 334 CB LEU A 57 -0.397 9.588 0.946 1.00 0.00 C ATOM 335 CG LEU A 57 0.507 8.428 0.530 1.00 0.00 C ATOM 336 CD1 LEU A 57 1.957 8.720 0.887 1.00 0.00 C ATOM 337 CD2 LEU A 57 0.039 7.135 1.177 1.00 0.00 C ATOM 0 H LEU A 57 -0.075 9.883 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.313 9.087 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.209 10.490 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.799 9.379 1.937 1.00 0.00 H new ATOM 0 HG LEU A 57 0.445 8.312 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.583 7.881 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.284 9.623 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.044 8.865 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.692 6.318 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.071 7.239 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.982 6.920 0.863 1.00 0.00 H new ATOM 349 N GLU A 58 -1.622 12.282 -0.204 1.00 0.00 N ATOM 350 CA GLU A 58 -2.126 13.629 0.042 1.00 0.00 C ATOM 351 C GLU A 58 -3.499 13.813 -0.588 1.00 0.00 C ATOM 352 O GLU A 58 -4.436 14.278 0.061 1.00 0.00 O ATOM 353 CB GLU A 58 -1.152 14.671 -0.512 1.00 0.00 C ATOM 354 CG GLU A 58 -0.003 14.990 0.431 1.00 0.00 C ATOM 355 CD GLU A 58 0.103 16.470 0.744 1.00 0.00 C ATOM 356 OE1 GLU A 58 -0.948 17.143 0.791 1.00 0.00 O ATOM 357 OE2 GLU A 58 1.237 16.955 0.941 1.00 0.00 O ATOM 0 H GLU A 58 -0.808 12.243 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.217 13.767 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.746 14.311 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.699 15.589 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.136 14.435 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.932 14.649 -0.013 1.00 0.00 H new ATOM 364 N SER A 59 -3.613 13.434 -1.853 1.00 0.00 N ATOM 365 CA SER A 59 -4.875 13.543 -2.572 1.00 0.00 C ATOM 366 C SER A 59 -5.880 12.532 -2.032 1.00 0.00 C ATOM 367 O SER A 59 -7.091 12.751 -2.085 1.00 0.00 O ATOM 368 CB SER A 59 -4.660 13.319 -4.070 1.00 0.00 C ATOM 369 OG SER A 59 -5.736 13.844 -4.825 1.00 0.00 O ATOM 0 H SER A 59 -2.846 13.048 -2.403 1.00 0.00 H new ATOM 0 HA SER A 59 -5.270 14.548 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.729 13.792 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.558 12.252 -4.270 1.00 0.00 H new ATOM 0 HG SER A 59 -5.573 13.689 -5.779 1.00 0.00 H new ATOM 623 N SER A 78 -5.474 7.520 7.116 1.00 0.00 N ATOM 624 CA SER A 78 -4.345 7.899 6.274 1.00 0.00 C ATOM 625 C SER A 78 -3.031 7.611 6.989 1.00 0.00 C ATOM 626 O SER A 78 -2.906 7.832 8.193 1.00 0.00 O ATOM 627 CB SER A 78 -4.430 9.379 5.898 1.00 0.00 C ATOM 628 OG SER A 78 -5.215 10.100 6.833 1.00 0.00 O ATOM 0 HA SER A 78 -4.383 7.307 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.427 9.805 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.861 9.480 4.902 1.00 0.00 H new ATOM 0 HG SER A 78 -5.691 9.471 7.414 1.00 0.00 H new ATOM 634 N LEU A 79 -2.054 7.107 6.243 1.00 0.00 N ATOM 635 CA LEU A 79 -0.751 6.781 6.820 1.00 0.00 C ATOM 636 C LEU A 79 0.191 7.980 6.758 1.00 0.00 C ATOM 637 O LEU A 79 0.316 8.632 5.722 1.00 0.00 O ATOM 638 CB LEU A 79 -0.099 5.567 6.126 1.00 0.00 C ATOM 639 CG LEU A 79 -0.882 4.920 4.977 1.00 0.00 C ATOM 640 CD1 LEU A 79 -2.287 4.541 5.421 1.00 0.00 C ATOM 641 CD2 LEU A 79 -0.912 5.841 3.765 1.00 0.00 C ATOM 0 H LEU A 79 -2.136 6.916 5.244 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.926 6.519 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.872 5.878 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.087 4.804 6.882 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.371 4.002 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.821 4.084 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.229 3.832 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.819 5.435 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.472 5.365 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.393 6.781 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.107 6.037 3.432 1.00 0.00 H new ATOM 653 N ALA A 80 0.859 8.258 7.877 1.00 0.00 N ATOM 654 CA ALA A 80 1.800 9.370 7.954 1.00 0.00 C ATOM 655 C ALA A 80 3.203 8.909 7.572 1.00 0.00 C ATOM 656 O ALA A 80 3.622 7.815 7.937 1.00 0.00 O ATOM 657 CB ALA A 80 1.799 9.968 9.354 1.00 0.00 C ATOM 0 H ALA A 80 0.764 7.727 8.742 1.00 0.00 H new ATOM 0 HA ALA A 80 1.486 10.139 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.506 10.797 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.800 10.331 9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.091 9.205 10.076 1.00 0.00 H new ATOM 663 N LEU A 81 3.920 9.740 6.828 1.00 0.00 N ATOM 664 CA LEU A 81 5.266 9.391 6.390 1.00 0.00 C ATOM 665 C LEU A 81 6.232 9.282 7.568 1.00 0.00 C ATOM 666 O LEU A 81 6.189 10.079 8.505 1.00 0.00 O ATOM 667 CB LEU A 81 5.780 10.422 5.382 1.00 0.00 C ATOM 668 CG LEU A 81 5.697 9.990 3.916 1.00 0.00 C ATOM 669 CD1 LEU A 81 4.438 10.544 3.267 1.00 0.00 C ATOM 670 CD2 LEU A 81 6.935 10.444 3.155 1.00 0.00 C ATOM 0 H LEU A 81 3.595 10.655 6.516 1.00 0.00 H new ATOM 0 HA LEU A 81 5.214 8.414 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.212 11.344 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.819 10.653 5.619 1.00 0.00 H new ATOM 0 HG LEU A 81 5.651 8.902 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.396 10.227 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.561 10.170 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.453 11.633 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.859 10.128 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.012 11.530 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.822 9.999 3.605 1.00 0.00 H new ATOM 682 N ASN A 82 7.107 8.282 7.498 1.00 0.00 N ATOM 683 CA ASN A 82 8.101 8.040 8.538 1.00 0.00 C ATOM 684 C ASN A 82 9.435 7.635 7.921 1.00 0.00 C ATOM 685 O ASN A 82 9.576 7.585 6.700 1.00 0.00 O ATOM 686 CB ASN A 82 7.626 6.950 9.499 1.00 0.00 C ATOM 687 CG ASN A 82 6.875 7.515 10.689 1.00 0.00 C ATOM 688 OD1 ASN A 82 6.368 8.636 10.642 1.00 0.00 O ATOM 689 ND2 ASN A 82 6.803 6.740 11.764 1.00 0.00 N ATOM 0 H ASN A 82 7.147 7.620 6.723 1.00 0.00 H new ATOM 0 HA ASN A 82 8.235 8.967 9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.981 6.253 8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.486 6.381 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.312 7.067 12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.238 5.818 11.758 1.00 0.00 H new ATOM 696 N ALA A 83 10.412 7.353 8.774 1.00 0.00 N ATOM 697 CA ALA A 83 11.738 6.955 8.313 1.00 0.00 C ATOM 698 C ALA A 83 11.687 5.649 7.525 1.00 0.00 C ATOM 699 O ALA A 83 12.507 5.422 6.635 1.00 0.00 O ATOM 700 CB ALA A 83 12.691 6.826 9.490 1.00 0.00 C ATOM 0 H ALA A 83 10.312 7.392 9.788 1.00 0.00 H new ATOM 0 HA ALA A 83 12.105 7.733 7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.676 6.529 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.767 7.784 10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.315 6.072 10.182 1.00 0.00 H new ATOM 706 N GLU A 84 10.720 4.793 7.848 1.00 0.00 N ATOM 707 CA GLU A 84 10.570 3.520 7.161 1.00 0.00 C ATOM 708 C GLU A 84 9.842 3.709 5.833 1.00 0.00 C ATOM 709 O GLU A 84 9.936 2.871 4.941 1.00 0.00 O ATOM 710 CB GLU A 84 9.817 2.525 8.045 1.00 0.00 C ATOM 711 CG GLU A 84 10.497 1.170 8.149 1.00 0.00 C ATOM 712 CD GLU A 84 10.249 0.298 6.934 1.00 0.00 C ATOM 713 OE1 GLU A 84 9.473 0.717 6.049 1.00 0.00 O ATOM 714 OE2 GLU A 84 10.832 -0.805 6.865 1.00 0.00 O ATOM 0 H GLU A 84 10.031 4.961 8.581 1.00 0.00 H new ATOM 0 HA GLU A 84 11.563 3.121 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.711 2.947 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.811 2.388 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.570 1.315 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.138 0.655 9.040 1.00 0.00 H new ATOM 721 N SER A 85 9.120 4.824 5.712 1.00 0.00 N ATOM 722 CA SER A 85 8.377 5.139 4.495 1.00 0.00 C ATOM 723 C SER A 85 9.286 5.150 3.267 1.00 0.00 C ATOM 724 O SER A 85 8.805 5.119 2.135 1.00 0.00 O ATOM 725 CB SER A 85 7.676 6.490 4.635 1.00 0.00 C ATOM 726 OG SER A 85 6.726 6.466 5.687 1.00 0.00 O ATOM 0 H SER A 85 9.035 5.526 6.447 1.00 0.00 H new ATOM 0 HA SER A 85 7.630 4.357 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.415 7.268 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.180 6.744 3.698 1.00 0.00 H new ATOM 0 HG SER A 85 5.834 6.295 5.319 1.00 0.00 H new ATOM 732 N ASN A 86 10.596 5.210 3.493 1.00 0.00 N ATOM 733 CA ASN A 86 11.558 5.229 2.398 1.00 0.00 C ATOM 734 C ASN A 86 11.980 3.812 2.020 1.00 0.00 C ATOM 735 O ASN A 86 12.212 3.514 0.849 1.00 0.00 O ATOM 736 CB ASN A 86 12.789 6.047 2.787 1.00 0.00 C ATOM 737 CG ASN A 86 12.435 7.458 3.208 1.00 0.00 C ATOM 738 OD1 ASN A 86 11.327 7.721 3.678 1.00 0.00 O ATOM 739 ND2 ASN A 86 13.378 8.376 3.041 1.00 0.00 N ATOM 0 H ASN A 86 11.014 5.246 4.423 1.00 0.00 H new ATOM 0 HA ASN A 86 11.078 5.691 1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.311 5.547 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.478 6.085 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.199 9.345 3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.282 8.113 2.648 1.00 0.00 H new ATOM 746 N ASN A 87 12.083 2.942 3.021 1.00 0.00 N ATOM 747 CA ASN A 87 12.485 1.556 2.793 1.00 0.00 C ATOM 748 C ASN A 87 11.305 0.716 2.315 1.00 0.00 C ATOM 749 O ASN A 87 10.406 0.392 3.091 1.00 0.00 O ATOM 750 CB ASN A 87 13.065 0.953 4.074 1.00 0.00 C ATOM 751 CG ASN A 87 13.990 1.909 4.803 1.00 0.00 C ATOM 752 OD1 ASN A 87 14.964 2.402 4.235 1.00 0.00 O ATOM 753 ND2 ASN A 87 13.687 2.174 6.068 1.00 0.00 N ATOM 0 H ASN A 87 11.894 3.171 3.997 1.00 0.00 H new ATOM 0 HA ASN A 87 13.250 1.552 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.249 0.666 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.611 0.042 3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.272 2.810 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.869 1.742 6.498 1.00 0.00 H new ATOM 760 N VAL A 88 11.314 0.367 1.032 1.00 0.00 N ATOM 761 CA VAL A 88 10.242 -0.431 0.443 1.00 0.00 C ATOM 762 C VAL A 88 10.428 -1.918 0.722 1.00 0.00 C ATOM 763 O VAL A 88 11.496 -2.484 0.492 1.00 0.00 O ATOM 764 CB VAL A 88 10.153 -0.213 -1.080 1.00 0.00 C ATOM 765 CG1 VAL A 88 8.937 -0.924 -1.656 1.00 0.00 C ATOM 766 CG2 VAL A 88 10.112 1.273 -1.407 1.00 0.00 C ATOM 0 H VAL A 88 12.053 0.625 0.378 1.00 0.00 H new ATOM 0 HA VAL A 88 9.315 -0.097 0.910 1.00 0.00 H new ATOM 0 HB VAL A 88 11.045 -0.640 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.894 -0.757 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.013 -1.993 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.032 -0.532 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.049 1.406 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.240 1.726 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.017 1.753 -1.034 1.00 0.00 H new ATOM 776 N MET A 89 9.360 -2.539 1.211 1.00 0.00 N ATOM 777 CA MET A 89 9.362 -3.963 1.523 1.00 0.00 C ATOM 778 C MET A 89 8.620 -4.742 0.445 1.00 0.00 C ATOM 779 O MET A 89 7.479 -4.424 0.111 1.00 0.00 O ATOM 780 CB MET A 89 8.715 -4.208 2.891 1.00 0.00 C ATOM 781 CG MET A 89 9.717 -4.537 3.985 1.00 0.00 C ATOM 782 SD MET A 89 9.293 -6.036 4.893 1.00 0.00 S ATOM 783 CE MET A 89 9.652 -5.527 6.572 1.00 0.00 C ATOM 0 H MET A 89 8.473 -2.072 1.401 1.00 0.00 H new ATOM 0 HA MET A 89 10.395 -4.310 1.556 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.150 -3.322 3.181 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.001 -5.027 2.805 1.00 0.00 H new ATOM 0 HG2 MET A 89 10.706 -4.653 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 89 9.776 -3.700 4.681 1.00 0.00 H new ATOM 0 HE1 MET A 89 9.977 -6.390 7.152 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.443 -4.777 6.564 1.00 0.00 H new ATOM 0 HE3 MET A 89 8.755 -5.104 7.024 1.00 0.00 H new ATOM 793 N MET A 90 9.275 -5.758 -0.101 1.00 0.00 N ATOM 794 CA MET A 90 8.676 -6.580 -1.148 1.00 0.00 C ATOM 795 C MET A 90 8.264 -7.939 -0.599 1.00 0.00 C ATOM 796 O MET A 90 9.057 -8.620 0.052 1.00 0.00 O ATOM 797 CB MET A 90 9.653 -6.772 -2.314 1.00 0.00 C ATOM 798 CG MET A 90 10.665 -5.649 -2.467 1.00 0.00 C ATOM 799 SD MET A 90 9.951 -4.165 -3.201 1.00 0.00 S ATOM 800 CE MET A 90 11.094 -2.916 -2.617 1.00 0.00 C ATOM 0 H MET A 90 10.221 -6.034 0.163 1.00 0.00 H new ATOM 0 HA MET A 90 7.789 -6.061 -1.510 1.00 0.00 H new ATOM 0 HB2 MET A 90 10.187 -7.712 -2.175 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.084 -6.863 -3.239 1.00 0.00 H new ATOM 0 HG2 MET A 90 11.079 -5.403 -1.489 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.493 -5.993 -3.086 1.00 0.00 H new ATOM 0 HE1 MET A 90 11.004 -2.023 -3.235 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.862 -2.666 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 90 12.113 -3.298 -2.679 1.00 0.00 H new ATOM 810 N LEU A 91 7.022 -8.330 -0.858 1.00 0.00 N ATOM 811 CA LEU A 91 6.521 -9.613 -0.373 1.00 0.00 C ATOM 812 C LEU A 91 5.342 -10.115 -1.189 1.00 0.00 C ATOM 813 O LEU A 91 4.488 -9.338 -1.612 1.00 0.00 O ATOM 814 CB LEU A 91 6.075 -9.492 1.084 1.00 0.00 C ATOM 815 CG LEU A 91 4.944 -8.489 1.323 1.00 0.00 C ATOM 816 CD1 LEU A 91 3.815 -9.132 2.113 1.00 0.00 C ATOM 817 CD2 LEU A 91 5.463 -7.253 2.039 1.00 0.00 C ATOM 0 H LEU A 91 6.348 -7.785 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 91 7.342 -10.324 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.753 -10.473 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.933 -9.203 1.690 1.00 0.00 H new ATOM 0 HG LEU A 91 4.551 -8.181 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.021 -8.402 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.420 -9.982 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.193 -9.473 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.642 -6.554 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.887 -7.541 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.233 -6.777 1.431 1.00 0.00 H new ATOM 829 N THR A 92 5.269 -11.431 -1.347 1.00 0.00 N ATOM 830 CA THR A 92 4.151 -12.043 -2.041 1.00 0.00 C ATOM 831 C THR A 92 3.108 -12.381 -0.989 1.00 0.00 C ATOM 832 O THR A 92 3.356 -13.207 -0.109 1.00 0.00 O ATOM 833 CB THR A 92 4.593 -13.302 -2.789 1.00 0.00 C ATOM 834 OG1 THR A 92 3.514 -13.853 -3.524 1.00 0.00 O ATOM 835 CG2 THR A 92 5.128 -14.386 -1.878 1.00 0.00 C ATOM 0 H THR A 92 5.969 -12.089 -1.005 1.00 0.00 H new ATOM 0 HA THR A 92 3.743 -11.361 -2.787 1.00 0.00 H new ATOM 0 HB THR A 92 5.397 -12.977 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.817 -14.656 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.423 -15.250 -2.474 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.993 -14.009 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.354 -14.681 -1.170 1.00 0.00 H new ATOM 843 N HIS A 93 1.971 -11.706 -1.034 1.00 0.00 N ATOM 844 CA HIS A 93 0.947 -11.921 -0.024 1.00 0.00 C ATOM 845 C HIS A 93 -0.436 -11.498 -0.509 1.00 0.00 C ATOM 846 O HIS A 93 -0.568 -10.615 -1.356 1.00 0.00 O ATOM 847 CB HIS A 93 1.331 -11.120 1.224 1.00 0.00 C ATOM 848 CG HIS A 93 1.161 -11.860 2.511 1.00 0.00 C ATOM 849 ND1 HIS A 93 -0.064 -12.280 2.987 1.00 0.00 N ATOM 850 CD2 HIS A 93 2.074 -12.236 3.437 1.00 0.00 C ATOM 851 CE1 HIS A 93 0.103 -12.882 4.151 1.00 0.00 C ATOM 852 NE2 HIS A 93 1.391 -12.870 4.447 1.00 0.00 N ATOM 0 H HIS A 93 1.735 -11.015 -1.747 1.00 0.00 H new ATOM 0 HA HIS A 93 0.893 -12.987 0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.371 -10.807 1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.727 -10.213 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.140 -12.069 3.391 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.680 -13.311 4.758 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.810 -13.267 5.288 1.00 0.00 H new ATOM 861 N ALA A 94 -1.462 -12.129 0.052 1.00 0.00 N ATOM 862 CA ALA A 94 -2.839 -11.816 -0.301 1.00 0.00 C ATOM 863 C ALA A 94 -3.332 -10.622 0.506 1.00 0.00 C ATOM 864 O ALA A 94 -3.276 -10.626 1.735 1.00 0.00 O ATOM 865 CB ALA A 94 -3.736 -13.020 -0.059 1.00 0.00 C ATOM 0 H ALA A 94 -1.364 -12.862 0.755 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.876 -11.563 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.762 -12.769 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.395 -13.856 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.695 -13.299 0.994 1.00 0.00 H new ATOM 871 N ILE A 95 -3.806 -9.594 -0.189 1.00 0.00 N ATOM 872 CA ILE A 95 -4.295 -8.394 0.477 1.00 0.00 C ATOM 873 C ILE A 95 -5.772 -8.515 0.819 1.00 0.00 C ATOM 874 O ILE A 95 -6.603 -8.808 -0.042 1.00 0.00 O ATOM 875 CB ILE A 95 -4.085 -7.130 -0.380 1.00 0.00 C ATOM 876 CG1 ILE A 95 -2.841 -7.272 -1.261 1.00 0.00 C ATOM 877 CG2 ILE A 95 -3.966 -5.903 0.513 1.00 0.00 C ATOM 878 CD1 ILE A 95 -1.586 -7.607 -0.487 1.00 0.00 C ATOM 0 H ILE A 95 -3.862 -9.568 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.714 -8.297 1.394 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.951 -7.008 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.019 -8.050 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.684 -6.341 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.818 -5.017 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.878 -5.789 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.116 -6.023 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.746 -7.692 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.383 -6.818 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.723 -8.553 0.037 1.00 0.00 H new ATOM 890 N THR A 96 -6.092 -8.279 2.085 1.00 0.00 N ATOM 891 CA THR A 96 -7.470 -8.349 2.554 1.00 0.00 C ATOM 892 C THR A 96 -8.143 -6.990 2.413 1.00 0.00 C ATOM 893 O THR A 96 -7.479 -5.954 2.438 1.00 0.00 O ATOM 894 CB THR A 96 -7.521 -8.815 4.012 1.00 0.00 C ATOM 895 OG1 THR A 96 -6.261 -9.312 4.427 1.00 0.00 O ATOM 896 CG2 THR A 96 -8.544 -9.904 4.255 1.00 0.00 C ATOM 0 H THR A 96 -5.414 -8.037 2.807 1.00 0.00 H new ATOM 0 HA THR A 96 -8.006 -9.074 1.941 1.00 0.00 H new ATOM 0 HB THR A 96 -7.805 -7.933 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.667 -8.562 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.529 -10.189 5.307 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.536 -9.536 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.304 -10.772 3.641 1.00 0.00 H new ATOM 904 N ARG A 97 -9.460 -6.997 2.254 1.00 0.00 N ATOM 905 CA ARG A 97 -10.213 -5.759 2.096 1.00 0.00 C ATOM 906 C ARG A 97 -11.202 -5.561 3.237 1.00 0.00 C ATOM 907 O ARG A 97 -12.160 -6.322 3.381 1.00 0.00 O ATOM 908 CB ARG A 97 -10.959 -5.767 0.760 1.00 0.00 C ATOM 909 CG ARG A 97 -10.656 -4.560 -0.111 1.00 0.00 C ATOM 910 CD ARG A 97 -11.556 -4.513 -1.335 1.00 0.00 C ATOM 911 NE ARG A 97 -12.961 -4.354 -0.974 1.00 0.00 N ATOM 912 CZ ARG A 97 -13.779 -5.363 -0.692 1.00 0.00 C ATOM 913 NH1 ARG A 97 -13.350 -6.617 -0.775 1.00 0.00 N ATOM 914 NH2 ARG A 97 -15.032 -5.116 -0.329 1.00 0.00 N ATOM 0 H ARG A 97 -10.028 -7.844 2.231 1.00 0.00 H new ATOM 0 HA ARG A 97 -9.504 -4.931 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -10.699 -6.674 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.031 -5.806 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.786 -3.648 0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.613 -4.591 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.251 -3.687 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.431 -5.429 -1.912 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.340 -3.408 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.389 -6.810 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.982 -7.388 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.365 -4.154 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.662 -5.888 -0.112 1.00 0.00 H new ATOM 928 N TYR A 98 -10.975 -4.526 4.040 1.00 0.00 N ATOM 929 CA TYR A 98 -11.858 -4.228 5.157 1.00 0.00 C ATOM 930 C TYR A 98 -12.515 -2.863 4.978 1.00 0.00 C ATOM 931 O TYR A 98 -11.922 -1.829 5.293 1.00 0.00 O ATOM 932 CB TYR A 98 -11.081 -4.260 6.473 1.00 0.00 C ATOM 933 CG TYR A 98 -10.802 -5.656 6.980 1.00 0.00 C ATOM 934 CD1 TYR A 98 -9.756 -6.409 6.460 1.00 0.00 C ATOM 935 CD2 TYR A 98 -11.583 -6.222 7.980 1.00 0.00 C ATOM 936 CE1 TYR A 98 -9.497 -7.685 6.921 1.00 0.00 C ATOM 937 CE2 TYR A 98 -11.330 -7.497 8.447 1.00 0.00 C ATOM 938 CZ TYR A 98 -10.286 -8.225 7.914 1.00 0.00 C ATOM 939 OH TYR A 98 -10.032 -9.496 8.376 1.00 0.00 O ATOM 0 H TYR A 98 -10.190 -3.883 3.937 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.637 -4.990 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.135 -3.736 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.643 -3.714 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.135 -5.989 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.402 -5.656 8.399 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.680 -8.257 6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.946 -7.922 9.225 1.00 0.00 H new ATOM 0 HH TYR A 98 -10.679 -9.725 9.076 1.00 0.00 H new ATOM 949 N GLY A 99 -13.746 -2.865 4.475 1.00 0.00 N ATOM 950 CA GLY A 99 -14.465 -1.623 4.273 1.00 0.00 C ATOM 951 C GLY A 99 -15.061 -1.092 5.559 1.00 0.00 C ATOM 952 O GLY A 99 -15.906 -1.742 6.174 1.00 0.00 O ATOM 0 H GLY A 99 -14.257 -3.705 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.789 -0.878 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.260 -1.780 3.544 1.00 0.00 H new ATOM 956 N ILE A 100 -14.616 0.089 5.969 1.00 0.00 N ATOM 957 CA ILE A 100 -15.109 0.705 7.197 1.00 0.00 C ATOM 958 C ILE A 100 -15.501 2.163 6.979 1.00 0.00 C ATOM 959 O ILE A 100 -15.597 2.938 7.931 1.00 0.00 O ATOM 960 CB ILE A 100 -14.060 0.633 8.324 1.00 0.00 C ATOM 961 CG1 ILE A 100 -12.677 1.020 7.796 1.00 0.00 C ATOM 962 CG2 ILE A 100 -14.030 -0.762 8.931 1.00 0.00 C ATOM 963 CD1 ILE A 100 -12.491 2.511 7.618 1.00 0.00 C ATOM 0 H ILE A 100 -13.916 0.639 5.471 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.993 0.139 7.491 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.339 1.343 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.918 0.647 8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.511 0.525 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.284 -0.797 9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.011 -1.001 9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.773 -1.489 8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.488 2.710 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.227 2.887 6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.624 3.011 8.577 1.00 0.00 H new ATOM 975 N SER A 101 -15.730 2.533 5.723 1.00 0.00 N ATOM 976 CA SER A 101 -16.113 3.901 5.388 1.00 0.00 C ATOM 977 C SER A 101 -17.454 3.933 4.659 1.00 0.00 C ATOM 978 O SER A 101 -18.201 4.905 4.760 1.00 0.00 O ATOM 979 CB SER A 101 -15.036 4.553 4.519 1.00 0.00 C ATOM 980 OG SER A 101 -14.879 5.923 4.844 1.00 0.00 O ATOM 0 H SER A 101 -15.657 1.906 4.921 1.00 0.00 H new ATOM 0 HA SER A 101 -16.213 4.460 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.088 4.032 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.304 4.454 3.467 1.00 0.00 H new ATOM 0 HG SER A 101 -15.358 6.472 4.188 1.00 0.00 H new ATOM 986 N THR A 102 -17.747 2.867 3.922 1.00 0.00 N ATOM 987 CA THR A 102 -18.992 2.772 3.168 1.00 0.00 C ATOM 988 C THR A 102 -19.233 1.338 2.706 1.00 0.00 C ATOM 989 O THR A 102 -18.337 0.497 2.771 1.00 0.00 O ATOM 990 CB THR A 102 -18.942 3.704 1.958 1.00 0.00 C ATOM 991 OG1 THR A 102 -18.480 4.990 2.331 1.00 0.00 O ATOM 992 CG2 THR A 102 -20.281 3.880 1.276 1.00 0.00 C ATOM 0 H THR A 102 -17.137 2.054 3.831 1.00 0.00 H new ATOM 0 HA THR A 102 -19.813 3.071 3.819 1.00 0.00 H new ATOM 0 HB THR A 102 -18.257 3.224 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.891 5.251 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 102 -20.171 4.554 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 102 -20.642 2.912 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 102 -20.997 4.301 1.982 1.00 0.00 H new ATOM 1000 N ASP A 103 -20.448 1.064 2.239 1.00 0.00 N ATOM 1001 CA ASP A 103 -20.799 -0.271 1.766 1.00 0.00 C ATOM 1002 C ASP A 103 -20.703 -0.365 0.244 1.00 0.00 C ATOM 1003 O ASP A 103 -21.226 -1.301 -0.361 1.00 0.00 O ATOM 1004 CB ASP A 103 -22.212 -0.637 2.218 1.00 0.00 C ATOM 1005 CG ASP A 103 -22.248 -1.166 3.638 1.00 0.00 C ATOM 1006 OD1 ASP A 103 -21.966 -0.383 4.570 1.00 0.00 O ATOM 1007 OD2 ASP A 103 -22.558 -2.363 3.819 1.00 0.00 O ATOM 0 H ASP A 103 -21.204 1.746 2.178 1.00 0.00 H new ATOM 0 HA ASP A 103 -20.087 -0.975 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -22.853 0.242 2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -22.623 -1.388 1.543 1.00 0.00 H new ATOM 1012 N ASP A 104 -20.030 0.603 -0.371 1.00 0.00 N ATOM 1013 CA ASP A 104 -19.865 0.618 -1.821 1.00 0.00 C ATOM 1014 C ASP A 104 -18.386 0.701 -2.188 1.00 0.00 C ATOM 1015 O ASP A 104 -17.643 1.473 -1.591 1.00 0.00 O ATOM 1016 CB ASP A 104 -20.624 1.798 -2.431 1.00 0.00 C ATOM 1017 CG ASP A 104 -22.049 1.893 -1.923 1.00 0.00 C ATOM 1018 OD1 ASP A 104 -22.761 0.868 -1.954 1.00 0.00 O ATOM 1019 OD2 ASP A 104 -22.452 2.994 -1.493 1.00 0.00 O ATOM 0 H ASP A 104 -19.590 1.387 0.112 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.274 -0.309 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -20.097 2.724 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.634 1.698 -3.516 1.00 0.00 H new ATOM 1024 N PRO A 105 -17.936 -0.093 -3.176 1.00 0.00 N ATOM 1025 CA PRO A 105 -16.538 -0.109 -3.618 1.00 0.00 C ATOM 1026 C PRO A 105 -15.877 1.265 -3.598 1.00 0.00 C ATOM 1027 O PRO A 105 -15.875 1.980 -4.601 1.00 0.00 O ATOM 1028 CB PRO A 105 -16.658 -0.634 -5.041 1.00 0.00 C ATOM 1029 CG PRO A 105 -17.784 -1.605 -4.966 1.00 0.00 C ATOM 1030 CD PRO A 105 -18.755 -1.048 -3.953 1.00 0.00 C ATOM 0 HA PRO A 105 -15.906 -0.708 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.868 0.169 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.736 -1.114 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -18.262 -1.723 -5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.429 -2.590 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -19.598 -0.553 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -19.166 -1.833 -3.318 1.00 0.00 H new ATOM 1038 N ASN A 106 -15.304 1.623 -2.451 1.00 0.00 N ATOM 1039 CA ASN A 106 -14.626 2.906 -2.308 1.00 0.00 C ATOM 1040 C ASN A 106 -13.551 2.854 -1.225 1.00 0.00 C ATOM 1041 O ASN A 106 -13.238 1.789 -0.692 1.00 0.00 O ATOM 1042 CB ASN A 106 -15.627 4.036 -2.022 1.00 0.00 C ATOM 1043 CG ASN A 106 -16.455 3.814 -0.768 1.00 0.00 C ATOM 1044 OD1 ASN A 106 -17.672 3.649 -0.842 1.00 0.00 O ATOM 1045 ND2 ASN A 106 -15.809 3.837 0.393 1.00 0.00 N ATOM 0 H ASN A 106 -15.296 1.044 -1.611 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.135 3.119 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.083 4.976 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.297 4.141 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.323 3.715 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.799 3.976 0.412 1.00 0.00 H new ATOM 1052 N LYS A 107 -12.983 4.020 -0.920 1.00 0.00 N ATOM 1053 CA LYS A 107 -11.927 4.149 0.084 1.00 0.00 C ATOM 1054 C LYS A 107 -12.178 3.260 1.303 1.00 0.00 C ATOM 1055 O LYS A 107 -13.097 3.496 2.084 1.00 0.00 O ATOM 1056 CB LYS A 107 -11.799 5.623 0.502 1.00 0.00 C ATOM 1057 CG LYS A 107 -11.132 5.853 1.855 1.00 0.00 C ATOM 1058 CD LYS A 107 -11.903 6.868 2.685 1.00 0.00 C ATOM 1059 CE LYS A 107 -11.802 6.568 4.171 1.00 0.00 C ATOM 1060 NZ LYS A 107 -12.694 7.448 4.977 1.00 0.00 N ATOM 0 H LYS A 107 -13.242 4.902 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.991 3.812 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.230 6.154 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.794 6.067 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.069 4.909 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.111 6.203 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.517 7.868 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.950 6.865 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.063 5.525 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.771 6.699 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.310 7.544 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.751 8.386 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.645 7.029 5.024 1.00 0.00 H new ATOM 1074 N TRP A 108 -11.332 2.245 1.448 1.00 0.00 N ATOM 1075 CA TRP A 108 -11.417 1.301 2.555 1.00 0.00 C ATOM 1076 C TRP A 108 -10.021 0.905 3.028 1.00 0.00 C ATOM 1077 O TRP A 108 -9.018 1.332 2.457 1.00 0.00 O ATOM 1078 CB TRP A 108 -12.189 0.059 2.137 1.00 0.00 C ATOM 1079 CG TRP A 108 -13.635 0.320 1.851 1.00 0.00 C ATOM 1080 CD1 TRP A 108 -14.451 1.233 2.450 1.00 0.00 C ATOM 1081 CD2 TRP A 108 -14.434 -0.360 0.893 1.00 0.00 C ATOM 1082 NE1 TRP A 108 -15.710 1.159 1.907 1.00 0.00 N ATOM 1083 CE2 TRP A 108 -15.725 0.184 0.953 1.00 0.00 C ATOM 1084 CE3 TRP A 108 -14.173 -1.376 -0.009 1.00 0.00 C ATOM 1085 CZ2 TRP A 108 -16.760 -0.264 0.139 1.00 0.00 C ATOM 1086 CZ3 TRP A 108 -15.196 -1.825 -0.824 1.00 0.00 C ATOM 1087 CH2 TRP A 108 -16.478 -1.268 -0.744 1.00 0.00 C ATOM 0 H TRP A 108 -10.568 2.054 0.800 1.00 0.00 H new ATOM 0 HA TRP A 108 -11.944 1.786 3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.723 -0.367 1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -12.113 -0.689 2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -14.152 1.913 3.234 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -16.505 1.739 2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -13.187 -1.811 -0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -17.749 0.165 0.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -15.003 -2.617 -1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -17.258 -1.639 -1.392 1.00 0.00 H new ATOM 1098 N ARG A 109 -9.961 0.090 4.077 1.00 0.00 N ATOM 1099 CA ARG A 109 -8.684 -0.355 4.626 1.00 0.00 C ATOM 1100 C ARG A 109 -8.329 -1.747 4.122 1.00 0.00 C ATOM 1101 O ARG A 109 -9.199 -2.610 3.997 1.00 0.00 O ATOM 1102 CB ARG A 109 -8.749 -0.377 6.156 1.00 0.00 C ATOM 1103 CG ARG A 109 -8.272 0.905 6.812 1.00 0.00 C ATOM 1104 CD ARG A 109 -8.907 2.128 6.170 1.00 0.00 C ATOM 1105 NE ARG A 109 -8.021 2.747 5.187 1.00 0.00 N ATOM 1106 CZ ARG A 109 -8.373 3.768 4.409 1.00 0.00 C ATOM 1107 NH1 ARG A 109 -9.588 4.293 4.503 1.00 0.00 N ATOM 1108 NH2 ARG A 109 -7.507 4.267 3.539 1.00 0.00 N ATOM 0 H ARG A 109 -10.780 -0.275 4.563 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.916 0.345 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.777 -0.570 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.146 -1.207 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.514 0.883 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.187 0.973 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.841 1.841 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.157 2.855 6.942 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.076 2.375 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.257 3.914 5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.853 5.075 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.571 3.869 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.777 5.049 2.943 1.00 0.00 H new ATOM 1122 N TYR A 110 -7.045 -1.973 3.851 1.00 0.00 N ATOM 1123 CA TYR A 110 -6.594 -3.273 3.386 1.00 0.00 C ATOM 1124 C TYR A 110 -5.767 -3.935 4.473 1.00 0.00 C ATOM 1125 O TYR A 110 -5.359 -3.275 5.429 1.00 0.00 O ATOM 1126 CB TYR A 110 -5.788 -3.137 2.099 1.00 0.00 C ATOM 1127 CG TYR A 110 -6.649 -2.981 0.865 1.00 0.00 C ATOM 1128 CD1 TYR A 110 -7.340 -1.797 0.619 1.00 0.00 C ATOM 1129 CD2 TYR A 110 -6.760 -4.010 -0.063 1.00 0.00 C ATOM 1130 CE1 TYR A 110 -8.117 -1.646 -0.516 1.00 0.00 C ATOM 1131 CE2 TYR A 110 -7.535 -3.866 -1.198 1.00 0.00 C ATOM 1132 CZ TYR A 110 -8.210 -2.683 -1.419 1.00 0.00 C ATOM 1133 OH TYR A 110 -8.979 -2.537 -2.549 1.00 0.00 O ATOM 0 H TYR A 110 -6.307 -1.275 3.946 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.461 -3.896 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -5.126 -2.275 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -5.154 -4.016 1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.268 -0.983 1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -6.232 -4.937 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.647 -0.722 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -7.612 -4.676 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 110 -8.480 -2.027 -3.221 1.00 0.00 H new ATOM 1143 N TYR A 111 -5.541 -5.235 4.356 1.00 0.00 N ATOM 1144 CA TYR A 111 -4.781 -5.940 5.379 1.00 0.00 C ATOM 1145 C TYR A 111 -3.836 -6.982 4.800 1.00 0.00 C ATOM 1146 O TYR A 111 -4.250 -7.894 4.086 1.00 0.00 O ATOM 1147 CB TYR A 111 -5.738 -6.598 6.372 1.00 0.00 C ATOM 1148 CG TYR A 111 -6.260 -5.644 7.420 1.00 0.00 C ATOM 1149 CD1 TYR A 111 -7.151 -4.628 7.084 1.00 0.00 C ATOM 1150 CD2 TYR A 111 -5.850 -5.749 8.744 1.00 0.00 C ATOM 1151 CE1 TYR A 111 -7.620 -3.744 8.037 1.00 0.00 C ATOM 1152 CE2 TYR A 111 -6.318 -4.870 9.704 1.00 0.00 C ATOM 1153 CZ TYR A 111 -7.201 -3.871 9.347 1.00 0.00 C ATOM 1154 OH TYR A 111 -7.665 -2.995 10.301 1.00 0.00 O ATOM 0 H TYR A 111 -5.865 -5.814 3.581 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.163 -5.199 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -6.580 -7.024 5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.227 -7.425 6.865 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.481 -4.529 6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -5.157 -6.527 9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -8.309 -2.960 7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -5.994 -4.965 10.730 1.00 0.00 H new ATOM 0 HH TYR A 111 -7.275 -3.222 11.171 1.00 0.00 H new ATOM 1164 N LEU A 112 -2.564 -6.848 5.152 1.00 0.00 N ATOM 1165 CA LEU A 112 -1.539 -7.781 4.716 1.00 0.00 C ATOM 1166 C LEU A 112 -1.261 -8.771 5.839 1.00 0.00 C ATOM 1167 O LEU A 112 -0.602 -8.434 6.823 1.00 0.00 O ATOM 1168 CB LEU A 112 -0.256 -7.033 4.346 1.00 0.00 C ATOM 1169 CG LEU A 112 0.677 -7.772 3.387 1.00 0.00 C ATOM 1170 CD1 LEU A 112 0.890 -9.207 3.845 1.00 0.00 C ATOM 1171 CD2 LEU A 112 0.113 -7.735 1.977 1.00 0.00 C ATOM 0 H LEU A 112 -2.217 -6.093 5.744 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.889 -8.315 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.528 -6.078 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.292 -6.811 5.261 1.00 0.00 H new ATOM 0 HG LEU A 112 1.645 -7.271 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.557 -9.716 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.334 -9.209 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.068 -9.726 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.786 -8.264 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.866 -8.215 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.014 -6.699 1.652 1.00 0.00 H new ATOM 1183 N ASP A 113 -1.789 -9.981 5.707 1.00 0.00 N ATOM 1184 CA ASP A 113 -1.612 -10.991 6.738 1.00 0.00 C ATOM 1185 C ASP A 113 -2.331 -10.539 8.018 1.00 0.00 C ATOM 1186 O ASP A 113 -3.524 -10.236 7.980 1.00 0.00 O ATOM 1187 CB ASP A 113 -0.117 -11.241 6.982 1.00 0.00 C ATOM 1188 CG ASP A 113 0.143 -12.544 7.713 1.00 0.00 C ATOM 1189 OD1 ASP A 113 0.995 -13.327 7.245 1.00 0.00 O ATOM 1190 OD2 ASP A 113 -0.506 -12.782 8.754 1.00 0.00 O ATOM 0 H ASP A 113 -2.339 -10.284 4.903 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.051 -11.935 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.407 -11.254 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.296 -10.415 7.561 1.00 0.00 H new ATOM 1195 N SER A 114 -1.619 -10.475 9.142 1.00 0.00 N ATOM 1196 CA SER A 114 -2.218 -10.041 10.397 1.00 0.00 C ATOM 1197 C SER A 114 -1.929 -8.563 10.661 1.00 0.00 C ATOM 1198 O SER A 114 -2.034 -8.099 11.796 1.00 0.00 O ATOM 1199 CB SER A 114 -1.694 -10.890 11.558 1.00 0.00 C ATOM 1200 OG SER A 114 -0.393 -11.381 11.284 1.00 0.00 O ATOM 0 H SER A 114 -0.630 -10.718 9.207 1.00 0.00 H new ATOM 0 HA SER A 114 -3.297 -10.172 10.317 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.676 -10.293 12.470 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.371 -11.725 11.737 1.00 0.00 H new ATOM 0 HG SER A 114 -0.080 -11.919 12.041 1.00 0.00 H new ATOM 1206 N VAL A 115 -1.551 -7.828 9.615 1.00 0.00 N ATOM 1207 CA VAL A 115 -1.239 -6.409 9.758 1.00 0.00 C ATOM 1208 C VAL A 115 -2.067 -5.551 8.807 1.00 0.00 C ATOM 1209 O VAL A 115 -2.293 -5.924 7.657 1.00 0.00 O ATOM 1210 CB VAL A 115 0.258 -6.137 9.505 1.00 0.00 C ATOM 1211 CG1 VAL A 115 0.613 -4.707 9.882 1.00 0.00 C ATOM 1212 CG2 VAL A 115 1.121 -7.130 10.270 1.00 0.00 C ATOM 0 H VAL A 115 -1.454 -8.190 8.666 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.487 -6.139 10.784 1.00 0.00 H new ATOM 0 HB VAL A 115 0.456 -6.267 8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 115 1.673 -4.534 9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.022 -4.015 9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.398 -4.545 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 115 2.173 -6.921 10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.922 -7.038 11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.887 -8.143 9.943 1.00 0.00 H new ATOM 1222 N GLU A 116 -2.509 -4.395 9.295 1.00 0.00 N ATOM 1223 CA GLU A 116 -3.305 -3.476 8.487 1.00 0.00 C ATOM 1224 C GLU A 116 -2.416 -2.716 7.509 1.00 0.00 C ATOM 1225 O GLU A 116 -1.360 -2.209 7.886 1.00 0.00 O ATOM 1226 CB GLU A 116 -4.051 -2.488 9.388 1.00 0.00 C ATOM 1227 CG GLU A 116 -3.134 -1.661 10.275 1.00 0.00 C ATOM 1228 CD GLU A 116 -3.196 -2.082 11.731 1.00 0.00 C ATOM 1229 OE1 GLU A 116 -4.318 -2.189 12.271 1.00 0.00 O ATOM 1230 OE2 GLU A 116 -2.123 -2.305 12.331 1.00 0.00 O ATOM 0 H GLU A 116 -2.329 -4.073 10.246 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.031 -4.058 7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.643 -1.817 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.750 -3.039 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.109 -1.753 9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.407 -0.609 10.193 1.00 0.00 H new ATOM 1237 N VAL A 117 -2.839 -2.645 6.250 1.00 0.00 N ATOM 1238 CA VAL A 117 -2.061 -1.950 5.232 1.00 0.00 C ATOM 1239 C VAL A 117 -2.937 -1.113 4.303 1.00 0.00 C ATOM 1240 O VAL A 117 -4.172 -1.228 4.296 1.00 0.00 O ATOM 1241 CB VAL A 117 -1.235 -2.937 4.386 1.00 0.00 C ATOM 1242 CG1 VAL A 117 -0.168 -3.612 5.238 1.00 0.00 C ATOM 1243 CG2 VAL A 117 -2.142 -3.969 3.733 1.00 0.00 C ATOM 0 H VAL A 117 -3.709 -3.057 5.913 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.390 -1.281 5.771 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.733 -2.378 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.405 -4.305 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.500 -2.856 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.644 -4.158 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.541 -4.658 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.675 -4.525 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.861 -3.465 3.087 1.00 0.00 H new ATOM 1253 N HIS A 118 -2.273 -0.263 3.526 1.00 0.00 N ATOM 1254 CA HIS A 118 -2.946 0.622 2.586 1.00 0.00 C ATOM 1255 C HIS A 118 -2.757 0.153 1.145 1.00 0.00 C ATOM 1256 O HIS A 118 -1.634 0.043 0.657 1.00 0.00 O ATOM 1257 CB HIS A 118 -2.401 2.040 2.740 1.00 0.00 C ATOM 1258 CG HIS A 118 -3.184 3.083 2.001 1.00 0.00 C ATOM 1259 ND1 HIS A 118 -4.068 3.931 2.623 1.00 0.00 N ATOM 1260 CD2 HIS A 118 -3.212 3.417 0.685 1.00 0.00 C ATOM 1261 CE1 HIS A 118 -4.607 4.735 1.726 1.00 0.00 C ATOM 1262 NE2 HIS A 118 -4.109 4.442 0.542 1.00 0.00 N ATOM 0 H HIS A 118 -1.257 -0.170 3.531 1.00 0.00 H new ATOM 0 HA HIS A 118 -4.013 0.606 2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -2.383 2.297 3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.369 2.061 2.390 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -4.275 3.938 3.622 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.634 2.959 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.336 5.506 1.929 1.00 0.00 H new ATOM 1271 N LEU A 119 -3.870 -0.104 0.472 1.00 0.00 N ATOM 1272 CA LEU A 119 -3.856 -0.544 -0.919 1.00 0.00 C ATOM 1273 C LEU A 119 -4.763 0.360 -1.750 1.00 0.00 C ATOM 1274 O LEU A 119 -5.971 0.414 -1.514 1.00 0.00 O ATOM 1275 CB LEU A 119 -4.327 -1.993 -1.017 1.00 0.00 C ATOM 1276 CG LEU A 119 -4.274 -2.597 -2.415 1.00 0.00 C ATOM 1277 CD1 LEU A 119 -4.217 -4.114 -2.347 1.00 0.00 C ATOM 1278 CD2 LEU A 119 -5.469 -2.136 -3.226 1.00 0.00 C ATOM 0 H LEU A 119 -4.804 -0.014 0.871 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.838 -0.482 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.716 -2.603 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.352 -2.051 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.366 -2.253 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -4.180 -4.522 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -3.326 -4.420 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.104 -4.489 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.422 -2.573 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.388 -2.454 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.457 -1.049 -3.305 1.00 0.00 H new ATOM 1290 N PRO A 120 -4.204 1.100 -2.724 1.00 0.00 N ATOM 1291 CA PRO A 120 -4.989 2.008 -3.558 1.00 0.00 C ATOM 1292 C PRO A 120 -6.192 1.319 -4.200 1.00 0.00 C ATOM 1293 O PRO A 120 -6.091 0.197 -4.690 1.00 0.00 O ATOM 1294 CB PRO A 120 -4.002 2.494 -4.626 1.00 0.00 C ATOM 1295 CG PRO A 120 -2.808 1.609 -4.504 1.00 0.00 C ATOM 1296 CD PRO A 120 -2.781 1.126 -3.083 1.00 0.00 C ATOM 0 HA PRO A 120 -5.413 2.822 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -4.439 2.427 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -3.734 3.538 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.874 0.771 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -1.895 2.153 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.324 0.140 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -2.213 1.796 -2.438 1.00 0.00 H new ATOM 1304 N PRO A 121 -7.353 1.989 -4.193 1.00 0.00 N ATOM 1305 CA PRO A 121 -8.602 1.454 -4.757 1.00 0.00 C ATOM 1306 C PRO A 121 -8.488 0.957 -6.203 1.00 0.00 C ATOM 1307 O PRO A 121 -9.405 0.307 -6.703 1.00 0.00 O ATOM 1308 CB PRO A 121 -9.566 2.646 -4.682 1.00 0.00 C ATOM 1309 CG PRO A 121 -8.703 3.837 -4.443 1.00 0.00 C ATOM 1310 CD PRO A 121 -7.562 3.329 -3.622 1.00 0.00 C ATOM 0 HA PRO A 121 -8.922 0.571 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.134 2.751 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.289 2.517 -3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.353 4.266 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.249 4.621 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.677 3.957 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.808 3.287 -2.561 1.00 0.00 H new ATOM 1318 N PHE A 122 -7.386 1.266 -6.881 1.00 0.00 N ATOM 1319 CA PHE A 122 -7.219 0.833 -8.271 1.00 0.00 C ATOM 1320 C PHE A 122 -6.643 -0.576 -8.377 1.00 0.00 C ATOM 1321 O PHE A 122 -6.596 -1.145 -9.466 1.00 0.00 O ATOM 1322 CB PHE A 122 -6.354 1.811 -9.087 1.00 0.00 C ATOM 1323 CG PHE A 122 -5.572 2.811 -8.280 1.00 0.00 C ATOM 1324 CD1 PHE A 122 -6.218 3.757 -7.497 1.00 0.00 C ATOM 1325 CD2 PHE A 122 -4.188 2.812 -8.320 1.00 0.00 C ATOM 1326 CE1 PHE A 122 -5.494 4.682 -6.768 1.00 0.00 C ATOM 1327 CE2 PHE A 122 -3.460 3.733 -7.593 1.00 0.00 C ATOM 1328 CZ PHE A 122 -4.114 4.670 -6.816 1.00 0.00 C ATOM 0 H PHE A 122 -6.607 1.804 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.223 0.824 -8.696 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -5.656 1.233 -9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.001 2.353 -9.777 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -7.297 3.771 -7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -3.671 2.083 -8.927 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.007 5.413 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -2.381 3.721 -7.632 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.547 5.392 -6.247 1.00 0.00 H new ATOM 1338 N TRP A 123 -6.212 -1.145 -7.257 1.00 0.00 N ATOM 1339 CA TRP A 123 -5.655 -2.490 -7.270 1.00 0.00 C ATOM 1340 C TRP A 123 -6.670 -3.511 -6.757 1.00 0.00 C ATOM 1341 O TRP A 123 -6.383 -4.706 -6.699 1.00 0.00 O ATOM 1342 CB TRP A 123 -4.376 -2.532 -6.439 1.00 0.00 C ATOM 1343 CG TRP A 123 -3.311 -1.620 -6.957 1.00 0.00 C ATOM 1344 CD1 TRP A 123 -3.227 -1.067 -8.203 1.00 0.00 C ATOM 1345 CD2 TRP A 123 -2.182 -1.146 -6.230 1.00 0.00 C ATOM 1346 NE1 TRP A 123 -2.105 -0.272 -8.289 1.00 0.00 N ATOM 1347 CE2 TRP A 123 -1.451 -0.304 -7.086 1.00 0.00 C ATOM 1348 CE3 TRP A 123 -1.723 -1.350 -4.933 1.00 0.00 C ATOM 1349 CZ2 TRP A 123 -0.284 0.331 -6.678 1.00 0.00 C ATOM 1350 CZ3 TRP A 123 -0.569 -0.718 -4.532 1.00 0.00 C ATOM 1351 CH2 TRP A 123 0.138 0.113 -5.397 1.00 0.00 C ATOM 0 H TRP A 123 -6.237 -0.701 -6.339 1.00 0.00 H new ATOM 0 HA TRP A 123 -5.414 -2.754 -8.300 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -4.609 -2.261 -5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -3.995 -3.553 -6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 123 -3.935 -1.229 -9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 123 -1.810 0.253 -9.112 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.263 -1.993 -4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.269 0.973 -7.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -0.204 -0.869 -3.527 1.00 0.00 H new ATOM 0 HH2 TRP A 123 1.039 0.595 -5.048 1.00 0.00 H new ATOM 1362 N GLU A 124 -7.866 -3.036 -6.402 1.00 0.00 N ATOM 1363 CA GLU A 124 -8.926 -3.912 -5.916 1.00 0.00 C ATOM 1364 C GLU A 124 -9.184 -5.037 -6.912 1.00 0.00 C ATOM 1365 O GLU A 124 -9.504 -6.164 -6.531 1.00 0.00 O ATOM 1366 CB GLU A 124 -10.209 -3.109 -5.694 1.00 0.00 C ATOM 1367 CG GLU A 124 -10.851 -3.349 -4.341 1.00 0.00 C ATOM 1368 CD GLU A 124 -12.284 -3.837 -4.450 1.00 0.00 C ATOM 1369 OE1 GLU A 124 -13.141 -3.332 -3.695 1.00 0.00 O ATOM 1370 OE2 GLU A 124 -12.547 -4.722 -5.290 1.00 0.00 O ATOM 0 H GLU A 124 -8.121 -2.049 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 124 -8.609 -4.348 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.985 -2.047 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -10.925 -3.361 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -10.263 -4.083 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -10.829 -2.424 -3.764 1.00 0.00 H new ATOM 1377 N GLN A 125 -9.035 -4.715 -8.190 1.00 0.00 N ATOM 1378 CA GLN A 125 -9.238 -5.683 -9.258 1.00 0.00 C ATOM 1379 C GLN A 125 -7.935 -6.398 -9.599 1.00 0.00 C ATOM 1380 O GLN A 125 -7.941 -7.468 -10.206 1.00 0.00 O ATOM 1381 CB GLN A 125 -9.781 -4.979 -10.503 1.00 0.00 C ATOM 1382 CG GLN A 125 -8.976 -3.752 -10.906 1.00 0.00 C ATOM 1383 CD GLN A 125 -9.761 -2.463 -10.754 1.00 0.00 C ATOM 1384 OE1 GLN A 125 -10.968 -2.426 -10.993 1.00 0.00 O ATOM 1385 NE2 GLN A 125 -9.077 -1.397 -10.357 1.00 0.00 N ATOM 0 H GLN A 125 -8.772 -3.784 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.960 -6.424 -8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -9.793 -5.685 -11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -10.814 -4.683 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.074 -3.698 -10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.655 -3.857 -11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.077 -1.473 -10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -9.551 -0.502 -10.239 1.00 0.00 H new ATOM 1394 N TYR A 126 -6.816 -5.793 -9.211 1.00 0.00 N ATOM 1395 CA TYR A 126 -5.504 -6.361 -9.482 1.00 0.00 C ATOM 1396 C TYR A 126 -5.079 -7.346 -8.393 1.00 0.00 C ATOM 1397 O TYR A 126 -4.142 -8.121 -8.586 1.00 0.00 O ATOM 1398 CB TYR A 126 -4.465 -5.248 -9.607 1.00 0.00 C ATOM 1399 CG TYR A 126 -4.851 -4.147 -10.577 1.00 0.00 C ATOM 1400 CD1 TYR A 126 -5.910 -4.302 -11.466 1.00 0.00 C ATOM 1401 CD2 TYR A 126 -4.150 -2.950 -10.600 1.00 0.00 C ATOM 1402 CE1 TYR A 126 -6.256 -3.295 -12.347 1.00 0.00 C ATOM 1403 CE2 TYR A 126 -4.491 -1.939 -11.477 1.00 0.00 C ATOM 1404 CZ TYR A 126 -5.544 -2.115 -12.348 1.00 0.00 C ATOM 1405 OH TYR A 126 -5.885 -1.111 -13.224 1.00 0.00 O ATOM 0 H TYR A 126 -6.794 -4.907 -8.706 1.00 0.00 H new ATOM 0 HA TYR A 126 -5.569 -6.908 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.298 -4.809 -8.623 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.518 -5.684 -9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.471 -5.225 -11.468 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.323 -2.806 -9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -7.080 -3.432 -13.031 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -3.934 -1.014 -11.480 1.00 0.00 H new ATOM 0 HH TYR A 126 -5.285 -0.347 -13.095 1.00 0.00 H new ATOM 1415 N ILE A 127 -5.759 -7.313 -7.249 1.00 0.00 N ATOM 1416 CA ILE A 127 -5.423 -8.209 -6.149 1.00 0.00 C ATOM 1417 C ILE A 127 -5.959 -9.618 -6.389 1.00 0.00 C ATOM 1418 O ILE A 127 -7.149 -9.814 -6.638 1.00 0.00 O ATOM 1419 CB ILE A 127 -5.946 -7.684 -4.792 1.00 0.00 C ATOM 1420 CG1 ILE A 127 -7.470 -7.560 -4.795 1.00 0.00 C ATOM 1421 CG2 ILE A 127 -5.313 -6.343 -4.459 1.00 0.00 C ATOM 1422 CD1 ILE A 127 -8.067 -7.568 -3.405 1.00 0.00 C ATOM 0 H ILE A 127 -6.538 -6.682 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.334 -8.246 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 127 -5.666 -8.407 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -7.753 -6.637 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -7.895 -8.382 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -5.693 -5.989 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.230 -6.456 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.561 -5.621 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -9.151 -7.477 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -7.812 -8.503 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -7.668 -6.730 -2.833 1.00 0.00 H new ATOM 1434 N ASN A 128 -5.063 -10.595 -6.315 1.00 0.00 N ATOM 1435 CA ASN A 128 -5.427 -11.995 -6.521 1.00 0.00 C ATOM 1436 C ASN A 128 -5.149 -12.809 -5.258 1.00 0.00 C ATOM 1437 O ASN A 128 -4.791 -12.250 -4.222 1.00 0.00 O ATOM 1438 CB ASN A 128 -4.640 -12.578 -7.700 1.00 0.00 C ATOM 1439 CG ASN A 128 -4.508 -11.601 -8.854 1.00 0.00 C ATOM 1440 OD1 ASN A 128 -5.222 -11.704 -9.852 1.00 0.00 O ATOM 1441 ND2 ASN A 128 -3.592 -10.645 -8.726 1.00 0.00 N ATOM 0 H ASN A 128 -4.075 -10.444 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 128 -6.493 -12.046 -6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -3.646 -12.869 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.135 -13.484 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -3.461 -9.962 -9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -3.021 -10.595 -7.882 1.00 0.00 H new ATOM 1448 N ASP A 129 -5.305 -14.132 -5.349 1.00 0.00 N ATOM 1449 CA ASP A 129 -5.053 -15.008 -4.203 1.00 0.00 C ATOM 1450 C ASP A 129 -3.704 -14.668 -3.577 1.00 0.00 C ATOM 1451 O ASP A 129 -3.615 -14.339 -2.396 1.00 0.00 O ATOM 1452 CB ASP A 129 -5.078 -16.475 -4.636 1.00 0.00 C ATOM 1453 CG ASP A 129 -5.708 -17.375 -3.592 1.00 0.00 C ATOM 1454 OD1 ASP A 129 -6.795 -17.928 -3.862 1.00 0.00 O ATOM 1455 OD2 ASP A 129 -5.115 -17.528 -2.503 1.00 0.00 O ATOM 0 H ASP A 129 -5.602 -14.616 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.838 -14.852 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.631 -16.566 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -4.060 -16.810 -4.834 1.00 0.00 H new ATOM 1460 N GLU A 130 -2.665 -14.717 -4.400 1.00 0.00 N ATOM 1461 CA GLU A 130 -1.317 -14.380 -3.967 1.00 0.00 C ATOM 1462 C GLU A 130 -0.776 -13.297 -4.889 1.00 0.00 C ATOM 1463 O GLU A 130 -0.810 -13.451 -6.110 1.00 0.00 O ATOM 1464 CB GLU A 130 -0.411 -15.612 -4.003 1.00 0.00 C ATOM 1465 CG GLU A 130 0.698 -15.584 -2.965 1.00 0.00 C ATOM 1466 CD GLU A 130 1.100 -16.971 -2.504 1.00 0.00 C ATOM 1467 OE1 GLU A 130 1.127 -17.892 -3.346 1.00 0.00 O ATOM 1468 OE2 GLU A 130 1.388 -17.136 -1.300 1.00 0.00 O ATOM 0 H GLU A 130 -2.733 -14.990 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.341 -14.019 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.019 -16.504 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.033 -15.697 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.568 -15.077 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.371 -15.000 -2.105 1.00 0.00 H new ATOM 1475 N ASN A 131 -0.317 -12.187 -4.323 1.00 0.00 N ATOM 1476 CA ASN A 131 0.175 -11.092 -5.148 1.00 0.00 C ATOM 1477 C ASN A 131 1.497 -10.535 -4.664 1.00 0.00 C ATOM 1478 O ASN A 131 1.797 -10.530 -3.471 1.00 0.00 O ATOM 1479 CB ASN A 131 -0.846 -9.949 -5.192 1.00 0.00 C ATOM 1480 CG ASN A 131 -2.256 -10.400 -4.869 1.00 0.00 C ATOM 1481 OD1 ASN A 131 -2.705 -11.452 -5.325 1.00 0.00 O ATOM 1482 ND2 ASN A 131 -2.965 -9.602 -4.081 1.00 0.00 N ATOM 0 H ASN A 131 -0.275 -12.023 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 131 0.326 -11.512 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -0.547 -9.175 -4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.834 -9.496 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -3.922 -9.851 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -2.553 -8.739 -3.725 1.00 0.00 H new ATOM 1489 N THR A 132 2.253 -10.013 -5.616 1.00 0.00 N ATOM 1490 CA THR A 132 3.523 -9.379 -5.326 1.00 0.00 C ATOM 1491 C THR A 132 3.236 -7.961 -4.863 1.00 0.00 C ATOM 1492 O THR A 132 2.785 -7.122 -5.651 1.00 0.00 O ATOM 1493 CB THR A 132 4.422 -9.369 -6.565 1.00 0.00 C ATOM 1494 OG1 THR A 132 4.277 -10.571 -7.299 1.00 0.00 O ATOM 1495 CG2 THR A 132 5.890 -9.204 -6.239 1.00 0.00 C ATOM 0 H THR A 132 2.003 -10.018 -6.605 1.00 0.00 H new ATOM 0 HA THR A 132 4.050 -9.933 -4.549 1.00 0.00 H new ATOM 0 HB THR A 132 4.098 -8.508 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 132 4.858 -10.545 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 132 6.470 -9.205 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 132 6.043 -8.260 -5.716 1.00 0.00 H new ATOM 0 HG23 THR A 132 6.217 -10.028 -5.604 1.00 0.00 H new ATOM 1503 N VAL A 133 3.445 -7.714 -3.576 1.00 0.00 N ATOM 1504 CA VAL A 133 3.155 -6.408 -3.000 1.00 0.00 C ATOM 1505 C VAL A 133 4.397 -5.729 -2.443 1.00 0.00 C ATOM 1506 O VAL A 133 5.110 -6.289 -1.609 1.00 0.00 O ATOM 1507 CB VAL A 133 2.099 -6.508 -1.871 1.00 0.00 C ATOM 1508 CG1 VAL A 133 0.764 -5.953 -2.334 1.00 0.00 C ATOM 1509 CG2 VAL A 133 1.943 -7.945 -1.386 1.00 0.00 C ATOM 0 H VAL A 133 3.813 -8.398 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 133 2.764 -5.805 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 133 2.451 -5.907 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 133 0.037 -6.033 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.882 -4.906 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 133 0.413 -6.521 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.195 -7.983 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 133 1.625 -8.576 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.897 -8.305 -1.001 1.00 0.00 H new ATOM 1519 N GLU A 134 4.620 -4.498 -2.885 1.00 0.00 N ATOM 1520 CA GLU A 134 5.741 -3.703 -2.413 1.00 0.00 C ATOM 1521 C GLU A 134 5.204 -2.512 -1.637 1.00 0.00 C ATOM 1522 O GLU A 134 4.500 -1.665 -2.195 1.00 0.00 O ATOM 1523 CB GLU A 134 6.608 -3.227 -3.576 1.00 0.00 C ATOM 1524 CG GLU A 134 7.056 -4.344 -4.505 1.00 0.00 C ATOM 1525 CD GLU A 134 6.043 -4.642 -5.594 1.00 0.00 C ATOM 1526 OE1 GLU A 134 4.864 -4.269 -5.427 1.00 0.00 O ATOM 1527 OE2 GLU A 134 6.431 -5.246 -6.615 1.00 0.00 O ATOM 0 H GLU A 134 4.034 -4.028 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 134 6.366 -4.319 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 134 6.052 -2.488 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.489 -2.723 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 134 8.006 -4.070 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.232 -5.248 -3.921 1.00 0.00 H new ATOM 1534 N LEU A 135 5.497 -2.470 -0.346 1.00 0.00 N ATOM 1535 CA LEU A 135 4.994 -1.394 0.504 1.00 0.00 C ATOM 1536 C LEU A 135 6.055 -0.837 1.445 1.00 0.00 C ATOM 1537 O LEU A 135 6.945 -1.553 1.897 1.00 0.00 O ATOM 1538 CB LEU A 135 3.815 -1.909 1.334 1.00 0.00 C ATOM 1539 CG LEU A 135 4.025 -3.287 1.968 1.00 0.00 C ATOM 1540 CD1 LEU A 135 4.877 -3.181 3.224 1.00 0.00 C ATOM 1541 CD2 LEU A 135 2.684 -3.935 2.281 1.00 0.00 C ATOM 0 H LEU A 135 6.074 -3.160 0.135 1.00 0.00 H new ATOM 0 HA LEU A 135 4.684 -0.585 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.605 -1.189 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.931 -1.949 0.697 1.00 0.00 H new ATOM 0 HG LEU A 135 4.555 -3.916 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.012 -4.172 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.850 -2.760 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.380 -2.534 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.849 -4.914 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 135 2.129 -3.305 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.112 -4.051 1.360 1.00 0.00 H new ATOM 1553 N ILE A 136 5.912 0.446 1.770 1.00 0.00 N ATOM 1554 CA ILE A 136 6.816 1.116 2.698 1.00 0.00 C ATOM 1555 C ILE A 136 6.064 1.373 3.999 1.00 0.00 C ATOM 1556 O ILE A 136 4.919 1.815 3.976 1.00 0.00 O ATOM 1557 CB ILE A 136 7.368 2.453 2.134 1.00 0.00 C ATOM 1558 CG1 ILE A 136 6.802 2.756 0.745 1.00 0.00 C ATOM 1559 CG2 ILE A 136 8.884 2.407 2.068 1.00 0.00 C ATOM 1560 CD1 ILE A 136 5.496 3.518 0.776 1.00 0.00 C ATOM 0 H ILE A 136 5.173 1.044 1.401 1.00 0.00 H new ATOM 0 HA ILE A 136 7.677 0.468 2.864 1.00 0.00 H new ATOM 0 HB ILE A 136 7.054 3.249 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.536 3.332 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.653 1.818 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 136 9.260 3.350 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 136 9.287 2.248 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 136 9.195 1.590 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.155 3.697 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.747 2.935 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.643 4.472 1.282 1.00 0.00 H new ATOM 1572 N HIS A 137 6.685 1.059 5.129 1.00 0.00 N ATOM 1573 CA HIS A 137 6.027 1.221 6.419 1.00 0.00 C ATOM 1574 C HIS A 137 5.960 2.680 6.852 1.00 0.00 C ATOM 1575 O HIS A 137 6.981 3.337 7.045 1.00 0.00 O ATOM 1576 CB HIS A 137 6.733 0.358 7.464 1.00 0.00 C ATOM 1577 CG HIS A 137 6.887 -1.066 7.017 1.00 0.00 C ATOM 1578 ND1 HIS A 137 6.139 -2.107 7.527 1.00 0.00 N ATOM 1579 CD2 HIS A 137 7.690 -1.613 6.072 1.00 0.00 C ATOM 1580 CE1 HIS A 137 6.477 -3.231 6.912 1.00 0.00 C ATOM 1581 NE2 HIS A 137 7.416 -2.955 6.029 1.00 0.00 N ATOM 0 H HIS A 137 7.636 0.693 5.179 1.00 0.00 H new ATOM 0 HA HIS A 137 4.994 0.886 6.321 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.716 0.779 7.675 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.168 0.385 8.396 1.00 0.00 H new ATOM 0 HD1 HIS A 137 5.436 -2.024 8.262 1.00 0.00 H new ATOM 0 HD2 HIS A 137 8.413 -1.088 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 137 6.055 -4.207 7.102 1.00 0.00 H new ATOM 1590 N THR A 138 4.733 3.180 6.999 1.00 0.00 N ATOM 1591 CA THR A 138 4.509 4.561 7.407 1.00 0.00 C ATOM 1592 C THR A 138 4.481 4.669 8.929 1.00 0.00 C ATOM 1593 O THR A 138 4.909 3.754 9.632 1.00 0.00 O ATOM 1594 CB THR A 138 3.188 5.081 6.824 1.00 0.00 C ATOM 1595 OG1 THR A 138 2.102 4.742 7.668 1.00 0.00 O ATOM 1596 CG2 THR A 138 2.871 4.548 5.442 1.00 0.00 C ATOM 0 H THR A 138 3.879 2.645 6.840 1.00 0.00 H new ATOM 0 HA THR A 138 5.329 5.169 7.025 1.00 0.00 H new ATOM 0 HB THR A 138 3.322 6.160 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.789 3.839 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.922 4.963 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.663 4.836 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.800 3.461 5.479 1.00 0.00 H new ATOM 1604 N ASP A 139 3.953 5.780 9.431 1.00 0.00 N ATOM 1605 CA ASP A 139 3.847 5.990 10.869 1.00 0.00 C ATOM 1606 C ASP A 139 2.710 5.147 11.434 1.00 0.00 C ATOM 1607 O ASP A 139 2.623 4.923 12.642 1.00 0.00 O ATOM 1608 CB ASP A 139 3.607 7.468 11.178 1.00 0.00 C ATOM 1609 CG ASP A 139 3.944 7.820 12.613 1.00 0.00 C ATOM 1610 OD1 ASP A 139 3.281 7.286 13.527 1.00 0.00 O ATOM 1611 OD2 ASP A 139 4.871 8.630 12.824 1.00 0.00 O ATOM 0 H ASP A 139 3.592 6.547 8.864 1.00 0.00 H new ATOM 0 HA ASP A 139 4.784 5.686 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 139 4.209 8.079 10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 139 2.563 7.713 10.982 1.00 0.00 H new ATOM 1616 N SER A 140 1.842 4.682 10.541 1.00 0.00 N ATOM 1617 CA SER A 140 0.703 3.858 10.925 1.00 0.00 C ATOM 1618 C SER A 140 0.847 2.451 10.357 1.00 0.00 C ATOM 1619 O SER A 140 1.147 1.500 11.081 1.00 0.00 O ATOM 1620 CB SER A 140 -0.595 4.492 10.424 1.00 0.00 C ATOM 1621 OG SER A 140 -0.574 4.653 9.013 1.00 0.00 O ATOM 0 H SER A 140 1.908 4.864 9.540 1.00 0.00 H new ATOM 0 HA SER A 140 0.672 3.794 12.013 1.00 0.00 H new ATOM 0 HB2 SER A 140 -1.442 3.868 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 140 -0.738 5.461 10.902 1.00 0.00 H new ATOM 0 HG SER A 140 -1.492 4.733 8.679 1.00 0.00 H new ATOM 1627 N LEU A 141 0.636 2.333 9.053 1.00 0.00 N ATOM 1628 CA LEU A 141 0.744 1.055 8.365 1.00 0.00 C ATOM 1629 C LEU A 141 1.538 1.214 7.072 1.00 0.00 C ATOM 1630 O LEU A 141 1.817 2.332 6.637 1.00 0.00 O ATOM 1631 CB LEU A 141 -0.647 0.494 8.058 1.00 0.00 C ATOM 1632 CG LEU A 141 -1.695 1.536 7.660 1.00 0.00 C ATOM 1633 CD1 LEU A 141 -2.781 0.901 6.805 1.00 0.00 C ATOM 1634 CD2 LEU A 141 -2.298 2.184 8.896 1.00 0.00 C ATOM 0 H LEU A 141 0.387 3.115 8.447 1.00 0.00 H new ATOM 0 HA LEU A 141 1.268 0.357 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -0.558 -0.235 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -1.007 -0.043 8.936 1.00 0.00 H new ATOM 0 HG LEU A 141 -1.204 2.311 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.517 1.657 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.336 0.485 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.269 0.106 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.041 2.922 8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.774 1.421 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.512 2.674 9.470 1.00 0.00 H new ATOM 1646 N PRO A 142 1.935 0.096 6.447 1.00 0.00 N ATOM 1647 CA PRO A 142 2.712 0.117 5.210 1.00 0.00 C ATOM 1648 C PRO A 142 1.874 0.486 3.992 1.00 0.00 C ATOM 1649 O PRO A 142 0.816 -0.098 3.745 1.00 0.00 O ATOM 1650 CB PRO A 142 3.236 -1.321 5.078 1.00 0.00 C ATOM 1651 CG PRO A 142 2.900 -1.990 6.367 1.00 0.00 C ATOM 1652 CD PRO A 142 1.691 -1.275 6.898 1.00 0.00 C ATOM 0 HA PRO A 142 3.499 0.870 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 142 2.768 -1.833 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 142 4.311 -1.332 4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 142 2.692 -3.049 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 142 3.731 -1.926 7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.764 -1.681 6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 142 1.620 -1.342 7.984 1.00 0.00 H new ATOM 1660 N LEU A 143 2.370 1.447 3.226 1.00 0.00 N ATOM 1661 CA LEU A 143 1.696 1.896 2.016 1.00 0.00 C ATOM 1662 C LEU A 143 2.166 1.076 0.825 1.00 0.00 C ATOM 1663 O LEU A 143 3.351 1.074 0.492 1.00 0.00 O ATOM 1664 CB LEU A 143 1.975 3.378 1.761 1.00 0.00 C ATOM 1665 CG LEU A 143 1.019 4.068 0.781 1.00 0.00 C ATOM 1666 CD1 LEU A 143 1.150 3.494 -0.619 1.00 0.00 C ATOM 1667 CD2 LEU A 143 -0.410 3.941 1.253 1.00 0.00 C ATOM 0 H LEU A 143 3.244 1.934 3.423 1.00 0.00 H new ATOM 0 HA LEU A 143 0.623 1.760 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 143 1.936 3.907 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 143 2.992 3.479 1.382 1.00 0.00 H new ATOM 0 HG LEU A 143 1.292 5.123 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 143 0.458 4.006 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 143 2.170 3.634 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 143 0.915 2.430 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -1.073 4.437 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.678 2.887 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -0.512 4.407 2.233 1.00 0.00 H new ATOM 1679 N VAL A 144 1.239 0.383 0.187 1.00 0.00 N ATOM 1680 CA VAL A 144 1.571 -0.438 -0.967 1.00 0.00 C ATOM 1681 C VAL A 144 1.835 0.438 -2.185 1.00 0.00 C ATOM 1682 O VAL A 144 0.909 0.920 -2.835 1.00 0.00 O ATOM 1683 CB VAL A 144 0.454 -1.455 -1.273 1.00 0.00 C ATOM 1684 CG1 VAL A 144 0.932 -2.477 -2.292 1.00 0.00 C ATOM 1685 CG2 VAL A 144 -0.014 -2.145 0.003 1.00 0.00 C ATOM 0 H VAL A 144 0.253 0.371 0.447 1.00 0.00 H new ATOM 0 HA VAL A 144 2.477 -0.995 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 144 -0.394 -0.916 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.132 -3.188 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 144 1.211 -1.968 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 144 1.797 -3.009 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.802 -2.858 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 144 0.824 -2.671 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.399 -1.400 0.699 1.00 0.00 H new ATOM 1695 N ILE A 145 3.118 0.660 -2.466 1.00 0.00 N ATOM 1696 CA ILE A 145 3.530 1.499 -3.584 1.00 0.00 C ATOM 1697 C ILE A 145 3.411 0.776 -4.920 1.00 0.00 C ATOM 1698 O ILE A 145 3.239 1.413 -5.961 1.00 0.00 O ATOM 1699 CB ILE A 145 4.981 1.989 -3.411 1.00 0.00 C ATOM 1700 CG1 ILE A 145 5.946 0.800 -3.357 1.00 0.00 C ATOM 1701 CG2 ILE A 145 5.106 2.837 -2.155 1.00 0.00 C ATOM 1702 CD1 ILE A 145 7.064 0.883 -4.372 1.00 0.00 C ATOM 0 H ILE A 145 3.892 0.267 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 145 2.853 2.353 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 145 5.244 2.605 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.377 0.737 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.385 -0.120 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.136 3.176 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 145 4.446 3.701 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 145 4.826 2.243 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.708 0.009 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 145 6.642 0.915 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.649 1.786 -4.196 1.00 0.00 H new ATOM 1714 N SER A 146 3.508 -0.549 -4.901 1.00 0.00 N ATOM 1715 CA SER A 146 3.413 -1.318 -6.137 1.00 0.00 C ATOM 1716 C SER A 146 2.709 -2.655 -5.925 1.00 0.00 C ATOM 1717 O SER A 146 2.601 -3.149 -4.802 1.00 0.00 O ATOM 1718 CB SER A 146 4.805 -1.547 -6.730 1.00 0.00 C ATOM 1719 OG SER A 146 5.819 -1.084 -5.854 1.00 0.00 O ATOM 0 H SER A 146 3.650 -1.106 -4.058 1.00 0.00 H new ATOM 0 HA SER A 146 2.813 -0.735 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 146 4.949 -2.609 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 146 4.885 -1.031 -7.687 1.00 0.00 H new ATOM 0 HG SER A 146 6.698 -1.244 -6.257 1.00 0.00 H new ATOM 1725 N LEU A 147 2.238 -3.232 -7.028 1.00 0.00 N ATOM 1726 CA LEU A 147 1.546 -4.514 -7.002 1.00 0.00 C ATOM 1727 C LEU A 147 1.880 -5.304 -8.261 1.00 0.00 C ATOM 1728 O LEU A 147 2.292 -4.728 -9.267 1.00 0.00 O ATOM 1729 CB LEU A 147 0.033 -4.299 -6.901 1.00 0.00 C ATOM 1730 CG LEU A 147 -0.690 -5.236 -5.934 1.00 0.00 C ATOM 1731 CD1 LEU A 147 -0.791 -4.603 -4.555 1.00 0.00 C ATOM 1732 CD2 LEU A 147 -2.072 -5.588 -6.460 1.00 0.00 C ATOM 0 H LEU A 147 2.326 -2.825 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 147 1.876 -5.077 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.153 -3.270 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -0.403 -4.419 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.111 -6.156 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -1.309 -5.284 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.210 -4.403 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -1.347 -3.668 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -2.570 -6.256 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -2.660 -4.678 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -1.978 -6.083 -7.426 1.00 0.00 H new ATOM 1744 N ASN A 148 1.727 -6.624 -8.203 1.00 0.00 N ATOM 1745 CA ASN A 148 2.041 -7.471 -9.355 1.00 0.00 C ATOM 1746 C ASN A 148 1.471 -6.910 -10.666 1.00 0.00 C ATOM 1747 O ASN A 148 0.292 -7.081 -10.974 1.00 0.00 O ATOM 1748 CB ASN A 148 1.534 -8.902 -9.122 1.00 0.00 C ATOM 1749 CG ASN A 148 0.044 -9.068 -9.378 1.00 0.00 C ATOM 1750 OD1 ASN A 148 -0.364 -9.532 -10.442 1.00 0.00 O ATOM 1751 ND2 ASN A 148 -0.775 -8.691 -8.403 1.00 0.00 N ATOM 0 H ASN A 148 1.392 -7.128 -7.382 1.00 0.00 H new ATOM 0 HA ASN A 148 3.126 -7.485 -9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 148 2.084 -9.584 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 148 1.753 -9.193 -8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 148 -1.784 -8.781 -8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 148 -0.395 -8.311 -7.536 1.00 0.00 H new ATOM 1758 N GLY A 149 2.331 -6.262 -11.447 1.00 0.00 N ATOM 1759 CA GLY A 149 1.915 -5.715 -12.730 1.00 0.00 C ATOM 1760 C GLY A 149 1.181 -4.388 -12.631 1.00 0.00 C ATOM 1761 O GLY A 149 0.410 -4.039 -13.524 1.00 0.00 O ATOM 0 H GLY A 149 3.312 -6.105 -11.215 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.795 -5.585 -13.360 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.270 -6.438 -13.229 1.00 0.00 H new ATOM 1765 N HIS A 150 1.421 -3.640 -11.559 1.00 0.00 N ATOM 1766 CA HIS A 150 0.773 -2.341 -11.379 1.00 0.00 C ATOM 1767 C HIS A 150 1.585 -1.458 -10.446 1.00 0.00 C ATOM 1768 O HIS A 150 2.401 -1.947 -9.665 1.00 0.00 O ATOM 1769 CB HIS A 150 -0.644 -2.505 -10.826 1.00 0.00 C ATOM 1770 CG HIS A 150 -1.376 -3.673 -11.398 1.00 0.00 C ATOM 1771 ND1 HIS A 150 -2.185 -3.591 -12.513 1.00 0.00 N ATOM 1772 CD2 HIS A 150 -1.410 -4.963 -11.005 1.00 0.00 C ATOM 1773 CE1 HIS A 150 -2.686 -4.784 -12.778 1.00 0.00 C ATOM 1774 NE2 HIS A 150 -2.231 -5.636 -11.877 1.00 0.00 N ATOM 0 H HIS A 150 2.054 -3.906 -10.805 1.00 0.00 H new ATOM 0 HA HIS A 150 0.714 -1.865 -12.358 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -0.592 -2.614 -9.743 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -1.211 -1.597 -11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -0.888 -5.388 -10.161 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -3.354 -5.022 -13.593 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -2.453 -6.631 -11.835 1.00 0.00 H new ATOM 1783 N THR A 151 1.360 -0.153 -10.535 1.00 0.00 N ATOM 1784 CA THR A 151 2.080 0.794 -9.700 1.00 0.00 C ATOM 1785 C THR A 151 1.198 1.974 -9.309 1.00 0.00 C ATOM 1786 O THR A 151 0.259 2.328 -10.022 1.00 0.00 O ATOM 1787 CB THR A 151 3.331 1.286 -10.424 1.00 0.00 C ATOM 1788 OG1 THR A 151 3.017 2.339 -11.320 1.00 0.00 O ATOM 1789 CG2 THR A 151 4.027 0.197 -11.212 1.00 0.00 C ATOM 0 H THR A 151 0.687 0.270 -11.175 1.00 0.00 H new ATOM 0 HA THR A 151 2.374 0.280 -8.785 1.00 0.00 H new ATOM 0 HB THR A 151 4.003 1.632 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 151 3.834 2.639 -11.771 1.00 0.00 H new ATOM 0 HG21 THR A 151 4.908 0.610 -11.703 1.00 0.00 H new ATOM 0 HG22 THR A 151 4.330 -0.604 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.345 -0.200 -11.964 1.00 0.00 H new ATOM 1797 N LEU A 152 1.507 2.570 -8.163 1.00 0.00 N ATOM 1798 CA LEU A 152 0.748 3.705 -7.653 1.00 0.00 C ATOM 1799 C LEU A 152 0.817 4.887 -8.609 1.00 0.00 C ATOM 1800 O LEU A 152 -0.144 5.643 -8.752 1.00 0.00 O ATOM 1801 CB LEU A 152 1.285 4.109 -6.281 1.00 0.00 C ATOM 1802 CG LEU A 152 0.410 3.706 -5.097 1.00 0.00 C ATOM 1803 CD1 LEU A 152 1.098 4.050 -3.787 1.00 0.00 C ATOM 1804 CD2 LEU A 152 -0.945 4.386 -5.186 1.00 0.00 C ATOM 0 H LEU A 152 2.283 2.283 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 152 -0.296 3.406 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.272 3.666 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 152 1.416 5.191 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 152 0.256 2.627 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 152 0.461 3.756 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.047 3.517 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.281 5.124 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -1.558 4.089 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.811 5.468 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -1.441 4.090 -6.111 1.00 0.00 H new