USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ 155:sc= -0.848 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.674 K(o=-1.5,f=-2.1) USER MOD Set 2.1: A 51 MET CE :methyl 161:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.162 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.866 X(o=-0.7,f=-0.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 74:sc= 0.598 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc=-0.000456 (180deg=-0.0876) USER MOD Single : A 26 THR OG1 : rot -17:sc= 0.678 USER MOD Single : A 28 THR OG1 : rot -78:sc= 1.05 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00788 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 52:sc= 1.21 USER MOD Single : A 36 MET CE :methyl 173:sc= -0.353 (180deg=-0.408) USER MOD Single : A 38 SER OG : rot 68:sc= 0.488 USER MOD Single : A 41 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.11) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= 0.56 K(o=0.56,f=-1.6) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.631 USER MOD Single : A 72 MET CE :methyl 157:sc= 0 (180deg=-0.311) USER MOD Single : A 97 ASN : amide:sc= 0.119 K(o=0.12,f=-5.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -163:sc= 0 (180deg=-0.134) USER MOD Single : A 110 THR OG1 : rot 80:sc= 0.224 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.657) USER MOD Single : A 117 THR OG1 : rot -59:sc= 0.497 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.5!) USER MOD Single : A 137 ASN : amide:sc= -2.14! C(o=-2.1!,f=-6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc=-0.00416 K(o=-0.0042,f=-2.2!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.940 17.494 -0.426 1.00 0.00 N ATOM 59 CA THR A 5 -13.583 18.346 -1.378 1.00 0.00 C ATOM 60 C THR A 5 -14.914 17.793 -1.756 1.00 0.00 C ATOM 61 O THR A 5 -15.202 16.624 -1.502 1.00 0.00 O ATOM 62 CB THR A 5 -12.795 18.638 -2.620 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.559 17.547 -3.498 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.425 19.241 -2.266 1.00 0.00 C ATOM 0 HA THR A 5 -13.684 19.301 -0.863 1.00 0.00 H new ATOM 0 HB THR A 5 -13.442 19.333 -3.156 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.040 17.855 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.870 19.445 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.568 20.170 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.865 18.536 -1.652 1.00 0.00 H new ATOM 72 N GLU A 6 -15.814 18.498 -2.464 1.00 0.00 N ATOM 73 CA GLU A 6 -16.899 17.955 -3.220 1.00 0.00 C ATOM 74 C GLU A 6 -16.582 16.817 -4.129 1.00 0.00 C ATOM 75 O GLU A 6 -17.198 15.755 -4.196 1.00 0.00 O ATOM 76 CB GLU A 6 -17.686 19.084 -3.906 1.00 0.00 C ATOM 77 CG GLU A 6 -18.305 20.053 -2.896 1.00 0.00 C ATOM 78 CD GLU A 6 -19.249 19.306 -1.965 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.084 18.503 -2.460 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.131 19.464 -0.720 1.00 0.00 O ATOM 0 H GLU A 6 -15.780 19.516 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.540 17.467 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.023 19.633 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.474 18.652 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.519 20.538 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.847 20.840 -3.420 1.00 0.00 H new ATOM 87 N GLU A 7 -15.529 17.029 -4.939 1.00 0.00 N ATOM 88 CA GLU A 7 -15.030 16.197 -5.990 1.00 0.00 C ATOM 89 C GLU A 7 -14.577 14.875 -5.474 1.00 0.00 C ATOM 90 O GLU A 7 -14.824 13.794 -6.008 1.00 0.00 O ATOM 91 CB GLU A 7 -13.886 16.854 -6.782 1.00 0.00 C ATOM 92 CG GLU A 7 -14.379 18.066 -7.575 1.00 0.00 C ATOM 93 CD GLU A 7 -15.480 17.817 -8.596 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.175 17.044 -9.543 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.672 18.155 -8.368 1.00 0.00 O ATOM 0 H GLU A 7 -14.969 17.876 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.869 16.051 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.097 17.163 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.448 16.125 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.736 18.813 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.526 18.502 -8.095 1.00 0.00 H new ATOM 102 N GLN A 8 -13.902 14.854 -4.311 1.00 0.00 N ATOM 103 CA GLN A 8 -13.482 13.696 -3.585 1.00 0.00 C ATOM 104 C GLN A 8 -14.630 12.937 -3.013 1.00 0.00 C ATOM 105 O GLN A 8 -14.698 11.728 -3.224 1.00 0.00 O ATOM 106 CB GLN A 8 -12.561 14.112 -2.426 1.00 0.00 C ATOM 107 CG GLN A 8 -11.159 14.609 -2.785 1.00 0.00 C ATOM 108 CD GLN A 8 -10.348 15.120 -1.603 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.650 16.211 -1.123 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.306 14.378 -1.140 1.00 0.00 N ATOM 0 H GLN A 8 -13.629 15.718 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.959 13.054 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.063 14.898 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.455 13.258 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.610 13.797 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.248 15.408 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.091 13.478 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.740 14.722 -0.364 1.00 0.00 H new ATOM 119 N ILE A 9 -15.686 13.553 -2.453 1.00 0.00 N ATOM 120 CA ILE A 9 -16.853 12.835 -2.043 1.00 0.00 C ATOM 121 C ILE A 9 -17.782 12.369 -3.110 1.00 0.00 C ATOM 122 O ILE A 9 -18.277 11.250 -2.981 1.00 0.00 O ATOM 123 CB ILE A 9 -17.493 13.458 -0.838 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.413 13.679 0.235 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.711 12.665 -0.335 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.974 14.119 1.586 1.00 0.00 C ATOM 0 H ILE A 9 -15.731 14.558 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.476 11.864 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.908 14.428 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.851 12.755 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.709 14.432 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.133 13.162 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.463 12.614 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.401 11.656 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.156 14.256 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.512 15.060 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.655 13.356 1.963 1.00 0.00 H new ATOM 138 N ALA A 10 -17.911 13.127 -4.214 1.00 0.00 N ATOM 139 CA ALA A 10 -18.523 12.688 -5.429 1.00 0.00 C ATOM 140 C ALA A 10 -17.756 11.550 -6.009 1.00 0.00 C ATOM 141 O ALA A 10 -18.401 10.658 -6.559 1.00 0.00 O ATOM 142 CB ALA A 10 -18.598 13.837 -6.448 1.00 0.00 C ATOM 0 H ALA A 10 -17.574 14.088 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.536 12.359 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.067 13.480 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.188 14.654 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.592 14.193 -6.670 1.00 0.00 H new ATOM 148 N GLU A 11 -16.427 11.471 -5.819 1.00 0.00 N ATOM 149 CA GLU A 11 -15.670 10.388 -6.367 1.00 0.00 C ATOM 150 C GLU A 11 -15.956 9.108 -5.660 1.00 0.00 C ATOM 151 O GLU A 11 -16.268 8.096 -6.285 1.00 0.00 O ATOM 152 CB GLU A 11 -14.171 10.707 -6.234 1.00 0.00 C ATOM 153 CG GLU A 11 -13.209 9.748 -6.939 1.00 0.00 C ATOM 154 CD GLU A 11 -11.761 10.212 -6.869 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.345 10.680 -5.776 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.026 10.118 -7.889 1.00 0.00 O ATOM 0 H GLU A 11 -15.880 12.151 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.951 10.271 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.999 11.711 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.918 10.727 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.292 8.760 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.504 9.647 -7.983 1.00 0.00 H new ATOM 163 N PHE A 12 -15.903 9.169 -4.318 1.00 0.00 N ATOM 164 CA PHE A 12 -16.410 8.147 -3.455 1.00 0.00 C ATOM 165 C PHE A 12 -17.816 7.724 -3.712 1.00 0.00 C ATOM 166 O PHE A 12 -18.109 6.530 -3.745 1.00 0.00 O ATOM 167 CB PHE A 12 -16.338 8.446 -1.948 1.00 0.00 C ATOM 168 CG PHE A 12 -14.982 8.733 -1.400 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.916 7.930 -1.729 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.636 9.854 -0.683 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.625 8.105 -1.288 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.408 9.973 -0.074 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.424 9.040 -0.301 1.00 0.00 C ATOM 0 H PHE A 12 -15.493 9.957 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.717 7.347 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.981 9.300 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.752 7.594 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.107 7.095 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.347 10.662 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.806 7.533 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.216 10.805 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.515 9.042 0.282 1.00 0.00 H new ATOM 183 N LYS A 13 -18.774 8.627 -3.987 1.00 0.00 N ATOM 184 CA LYS A 13 -20.154 8.338 -4.227 1.00 0.00 C ATOM 185 C LYS A 13 -20.278 7.754 -5.592 1.00 0.00 C ATOM 186 O LYS A 13 -21.105 6.859 -5.759 1.00 0.00 O ATOM 187 CB LYS A 13 -20.913 9.673 -4.148 1.00 0.00 C ATOM 188 CG LYS A 13 -22.443 9.718 -4.147 1.00 0.00 C ATOM 189 CD LYS A 13 -22.988 10.973 -3.462 1.00 0.00 C ATOM 190 CE LYS A 13 -24.451 11.376 -3.661 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.695 11.928 -5.012 1.00 0.00 N ATOM 0 H LYS A 13 -18.570 9.625 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.558 7.632 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.580 10.175 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.578 10.280 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.806 9.681 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.830 8.834 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.827 10.854 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.373 11.813 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.091 10.508 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.728 12.117 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.698 12.188 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.104 12.772 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.455 11.213 -5.728 1.00 0.00 H new ATOM 205 N GLU A 14 -19.502 8.140 -6.620 1.00 0.00 N ATOM 206 CA GLU A 14 -19.471 7.510 -7.903 1.00 0.00 C ATOM 207 C GLU A 14 -18.951 6.114 -7.860 1.00 0.00 C ATOM 208 O GLU A 14 -19.494 5.235 -8.526 1.00 0.00 O ATOM 209 CB GLU A 14 -18.593 8.265 -8.914 1.00 0.00 C ATOM 210 CG GLU A 14 -19.296 9.477 -9.528 1.00 0.00 C ATOM 211 CD GLU A 14 -20.474 9.092 -10.413 1.00 0.00 C ATOM 212 OE1 GLU A 14 -20.323 8.275 -11.360 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.579 9.656 -10.193 1.00 0.00 O ATOM 0 H GLU A 14 -18.863 8.932 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.515 7.516 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.679 8.594 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.296 7.582 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.646 10.131 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.578 10.048 -10.116 1.00 0.00 H new ATOM 220 N ALA A 15 -17.968 5.842 -6.983 1.00 0.00 N ATOM 221 CA ALA A 15 -17.502 4.502 -6.798 1.00 0.00 C ATOM 222 C ALA A 15 -18.479 3.633 -6.084 1.00 0.00 C ATOM 223 O ALA A 15 -18.642 2.438 -6.324 1.00 0.00 O ATOM 224 CB ALA A 15 -16.138 4.520 -6.087 1.00 0.00 C ATOM 0 H ALA A 15 -17.500 6.542 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.387 4.058 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.787 3.498 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.419 5.072 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.240 5.004 -5.116 1.00 0.00 H new ATOM 230 N PHE A 16 -19.204 4.268 -5.146 1.00 0.00 N ATOM 231 CA PHE A 16 -20.177 3.633 -4.312 1.00 0.00 C ATOM 232 C PHE A 16 -21.316 3.149 -5.143 1.00 0.00 C ATOM 233 O PHE A 16 -21.840 2.039 -5.067 1.00 0.00 O ATOM 234 CB PHE A 16 -20.600 4.509 -3.121 1.00 0.00 C ATOM 235 CG PHE A 16 -21.351 3.764 -2.072 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.688 3.499 -2.251 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.720 3.368 -0.916 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.414 2.803 -1.312 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.415 2.639 0.019 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.773 2.487 -0.138 1.00 0.00 C ATOM 0 H PHE A 16 -19.108 5.266 -4.961 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.722 2.759 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.711 4.954 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.218 5.330 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.179 3.845 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.686 3.628 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.441 2.518 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.905 2.194 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.355 2.107 0.689 1.00 0.00 H new ATOM 250 N SER A 17 -21.748 4.037 -6.056 1.00 0.00 N ATOM 251 CA SER A 17 -22.872 3.736 -6.888 1.00 0.00 C ATOM 252 C SER A 17 -22.601 2.580 -7.789 1.00 0.00 C ATOM 253 O SER A 17 -23.533 1.917 -8.241 1.00 0.00 O ATOM 254 CB SER A 17 -23.227 4.958 -7.751 1.00 0.00 C ATOM 255 OG SER A 17 -23.667 6.026 -6.926 1.00 0.00 O ATOM 0 H SER A 17 -21.326 4.952 -6.217 1.00 0.00 H new ATOM 0 HA SER A 17 -23.702 3.477 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.357 5.269 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.007 4.694 -8.465 1.00 0.00 H new ATOM 0 HG SER A 17 -22.899 6.414 -6.457 1.00 0.00 H new ATOM 261 N LEU A 18 -21.319 2.305 -8.087 1.00 0.00 N ATOM 262 CA LEU A 18 -21.097 1.069 -8.772 1.00 0.00 C ATOM 263 C LEU A 18 -21.193 -0.195 -7.989 1.00 0.00 C ATOM 264 O LEU A 18 -21.456 -1.250 -8.564 1.00 0.00 O ATOM 265 CB LEU A 18 -19.727 0.997 -9.466 1.00 0.00 C ATOM 266 CG LEU A 18 -19.645 2.068 -10.566 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.190 2.146 -11.058 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.645 1.765 -11.694 1.00 0.00 C ATOM 0 H LEU A 18 -20.502 2.878 -7.878 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.938 1.108 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.931 1.149 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.579 0.007 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.926 3.045 -10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.110 2.901 -11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.539 2.415 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.888 1.178 -11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.571 2.535 -12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.417 0.793 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.657 1.752 -11.289 1.00 0.00 H new ATOM 280 N PHE A 19 -21.125 -0.138 -6.647 1.00 0.00 N ATOM 281 CA PHE A 19 -21.082 -1.277 -5.783 1.00 0.00 C ATOM 282 C PHE A 19 -22.489 -1.648 -5.462 1.00 0.00 C ATOM 283 O PHE A 19 -22.876 -2.808 -5.589 1.00 0.00 O ATOM 284 CB PHE A 19 -20.291 -1.040 -4.486 1.00 0.00 C ATOM 285 CG PHE A 19 -18.813 -0.937 -4.649 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.078 -1.944 -5.228 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.121 0.177 -4.234 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.706 -1.900 -5.315 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.747 0.222 -4.284 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.021 -0.829 -4.791 1.00 0.00 C ATOM 0 H PHE A 19 -21.099 0.746 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.557 -2.078 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.653 -0.123 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.507 -1.854 -3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.597 -2.802 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.666 1.032 -3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.168 -2.705 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.230 1.097 -3.919 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.941 -0.814 -4.778 1.00 0.00 H new ATOM 300 N ASP A 20 -23.267 -0.603 -5.125 1.00 0.00 N ATOM 301 CA ASP A 20 -24.633 -0.748 -4.730 1.00 0.00 C ATOM 302 C ASP A 20 -25.528 -1.094 -5.870 1.00 0.00 C ATOM 303 O ASP A 20 -25.982 -0.284 -6.676 1.00 0.00 O ATOM 304 CB ASP A 20 -25.250 0.487 -4.052 1.00 0.00 C ATOM 305 CG ASP A 20 -26.554 0.189 -3.327 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.910 -1.013 -3.196 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.295 1.137 -2.953 1.00 0.00 O ATOM 0 H ASP A 20 -22.939 0.363 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.577 -1.560 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.533 0.898 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.429 1.255 -4.805 1.00 0.00 H new ATOM 312 N LYS A 21 -25.975 -2.359 -5.966 1.00 0.00 N ATOM 313 CA LYS A 21 -26.822 -2.807 -7.028 1.00 0.00 C ATOM 314 C LYS A 21 -28.207 -2.310 -6.793 1.00 0.00 C ATOM 315 O LYS A 21 -28.857 -1.832 -7.721 1.00 0.00 O ATOM 316 CB LYS A 21 -26.808 -4.342 -7.117 1.00 0.00 C ATOM 317 CG LYS A 21 -25.392 -4.793 -7.483 1.00 0.00 C ATOM 318 CD LYS A 21 -25.226 -6.292 -7.740 1.00 0.00 C ATOM 319 CE LYS A 21 -25.941 -6.918 -8.939 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.455 -6.238 -10.161 1.00 0.00 N ATOM 0 H LYS A 21 -25.743 -3.087 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.453 -2.412 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -27.111 -4.780 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.521 -4.685 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.076 -4.252 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.717 -4.503 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.160 -6.492 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.558 -6.819 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.737 -7.987 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.021 -6.804 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.834 -6.721 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.774 -5.248 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.416 -6.267 -10.184 1.00 0.00 H new ATOM 334 N ASP A 22 -28.783 -2.530 -5.597 1.00 0.00 N ATOM 335 CA ASP A 22 -30.204 -2.484 -5.443 1.00 0.00 C ATOM 336 C ASP A 22 -30.717 -1.086 -5.413 1.00 0.00 C ATOM 337 O ASP A 22 -31.817 -0.761 -5.857 1.00 0.00 O ATOM 338 CB ASP A 22 -30.655 -3.326 -4.238 1.00 0.00 C ATOM 339 CG ASP A 22 -29.620 -4.337 -3.764 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.478 -4.032 -3.326 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.992 -5.534 -3.889 1.00 0.00 O ATOM 0 H ASP A 22 -28.268 -2.739 -4.741 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.655 -2.939 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.899 -2.658 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.571 -3.856 -4.501 1.00 0.00 H new ATOM 346 N GLY A 23 -29.910 -0.158 -4.868 1.00 0.00 N ATOM 347 CA GLY A 23 -30.161 1.199 -4.492 1.00 0.00 C ATOM 348 C GLY A 23 -30.624 1.430 -3.094 1.00 0.00 C ATOM 349 O GLY A 23 -31.473 2.275 -2.815 1.00 0.00 O ATOM 0 H GLY A 23 -28.941 -0.402 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.245 1.770 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.910 1.608 -5.171 1.00 0.00 H new ATOM 353 N ASP A 24 -30.059 0.640 -2.164 1.00 0.00 N ATOM 354 CA ASP A 24 -30.394 0.684 -0.774 1.00 0.00 C ATOM 355 C ASP A 24 -29.598 1.739 -0.086 1.00 0.00 C ATOM 356 O ASP A 24 -30.097 2.418 0.810 1.00 0.00 O ATOM 357 CB ASP A 24 -30.486 -0.694 -0.098 1.00 0.00 C ATOM 358 CG ASP A 24 -29.312 -1.593 -0.456 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.148 -1.195 -0.181 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.535 -2.677 -1.059 1.00 0.00 O ATOM 0 H ASP A 24 -29.345 -0.053 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.431 1.004 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.524 -0.564 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.416 -1.180 -0.394 1.00 0.00 H new ATOM 365 N GLY A 25 -28.281 1.831 -0.345 1.00 0.00 N ATOM 366 CA GLY A 25 -27.350 2.592 0.429 1.00 0.00 C ATOM 367 C GLY A 25 -26.404 1.817 1.279 1.00 0.00 C ATOM 368 O GLY A 25 -25.609 2.349 2.053 1.00 0.00 O ATOM 0 H GLY A 25 -27.845 1.351 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.767 3.213 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.913 3.267 1.073 1.00 0.00 H new ATOM 372 N THR A 26 -26.381 0.479 1.144 1.00 0.00 N ATOM 373 CA THR A 26 -25.406 -0.392 1.722 1.00 0.00 C ATOM 374 C THR A 26 -24.708 -1.297 0.766 1.00 0.00 C ATOM 375 O THR A 26 -25.218 -1.708 -0.275 1.00 0.00 O ATOM 376 CB THR A 26 -25.953 -1.359 2.731 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.000 -2.219 2.305 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.480 -0.477 3.875 1.00 0.00 C ATOM 0 H THR A 26 -27.083 -0.023 0.600 1.00 0.00 H new ATOM 0 HA THR A 26 -24.737 0.352 2.155 1.00 0.00 H new ATOM 0 HB THR A 26 -25.148 -2.048 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.397 -1.867 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.899 -1.109 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.661 0.114 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.254 0.189 3.494 1.00 0.00 H new ATOM 386 N ILE A 27 -23.479 -1.704 1.132 1.00 0.00 N ATOM 387 CA ILE A 27 -22.683 -2.678 0.451 1.00 0.00 C ATOM 388 C ILE A 27 -22.727 -3.953 1.221 1.00 0.00 C ATOM 389 O ILE A 27 -22.209 -4.113 2.325 1.00 0.00 O ATOM 390 CB ILE A 27 -21.255 -2.341 0.138 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.948 -0.847 -0.056 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.887 -3.010 -1.197 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.475 -0.459 -0.171 1.00 0.00 C ATOM 0 H ILE A 27 -23.012 -1.328 1.957 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.143 -2.741 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.690 -2.685 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.460 -0.508 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.380 -0.299 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.851 -2.779 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.007 -4.090 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.542 -2.636 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.392 0.620 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.949 -0.754 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.031 -0.966 -1.028 1.00 0.00 H new ATOM 405 N THR A 28 -23.330 -5.006 0.640 1.00 0.00 N ATOM 406 CA THR A 28 -23.145 -6.370 1.028 1.00 0.00 C ATOM 407 C THR A 28 -21.923 -6.951 0.405 1.00 0.00 C ATOM 408 O THR A 28 -21.437 -6.453 -0.609 1.00 0.00 O ATOM 409 CB THR A 28 -24.371 -7.164 0.683 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.774 -6.945 -0.660 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.546 -6.819 1.614 1.00 0.00 C ATOM 0 H THR A 28 -23.979 -4.900 -0.140 1.00 0.00 H new ATOM 0 HA THR A 28 -22.997 -6.411 2.107 1.00 0.00 H new ATOM 0 HB THR A 28 -24.104 -8.213 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.243 -6.087 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.417 -7.412 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.270 -7.041 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.784 -5.759 1.522 1.00 0.00 H new ATOM 419 N THR A 29 -21.534 -8.120 0.945 1.00 0.00 N ATOM 420 CA THR A 29 -20.392 -8.852 0.493 1.00 0.00 C ATOM 421 C THR A 29 -20.537 -9.382 -0.892 1.00 0.00 C ATOM 422 O THR A 29 -19.571 -9.484 -1.646 1.00 0.00 O ATOM 423 CB THR A 29 -19.923 -9.995 1.344 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.321 -9.761 2.686 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.392 -10.144 1.348 1.00 0.00 C ATOM 0 H THR A 29 -22.027 -8.568 1.717 1.00 0.00 H new ATOM 0 HA THR A 29 -19.637 -8.068 0.553 1.00 0.00 H new ATOM 0 HB THR A 29 -20.362 -10.902 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.021 -10.504 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.110 -10.986 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.041 -10.320 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.939 -9.232 1.736 1.00 0.00 H new ATOM 433 N LYS A 30 -21.745 -9.609 -1.437 1.00 0.00 N ATOM 434 CA LYS A 30 -21.997 -10.049 -2.774 1.00 0.00 C ATOM 435 C LYS A 30 -21.842 -8.936 -3.753 1.00 0.00 C ATOM 436 O LYS A 30 -21.495 -9.144 -4.915 1.00 0.00 O ATOM 437 CB LYS A 30 -23.407 -10.651 -2.897 1.00 0.00 C ATOM 438 CG LYS A 30 -24.638 -9.788 -2.611 1.00 0.00 C ATOM 439 CD LYS A 30 -25.842 -10.727 -2.509 1.00 0.00 C ATOM 440 CE LYS A 30 -27.214 -10.106 -2.240 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.607 -9.368 -3.461 1.00 0.00 N ATOM 0 H LYS A 30 -22.605 -9.475 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.259 -10.818 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.508 -11.033 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.452 -11.510 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -24.508 -9.229 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.787 -9.057 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.907 -11.290 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.639 -11.446 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.946 -10.878 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.171 -9.435 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.539 -8.930 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.904 -8.628 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.655 -10.027 -4.264 1.00 0.00 H new ATOM 455 N GLU A 31 -22.071 -7.684 -3.320 1.00 0.00 N ATOM 456 CA GLU A 31 -21.861 -6.511 -4.110 1.00 0.00 C ATOM 457 C GLU A 31 -20.418 -6.187 -4.291 1.00 0.00 C ATOM 458 O GLU A 31 -19.885 -5.828 -5.340 1.00 0.00 O ATOM 459 CB GLU A 31 -22.663 -5.406 -3.403 1.00 0.00 C ATOM 460 CG GLU A 31 -24.183 -5.560 -3.491 1.00 0.00 C ATOM 461 CD GLU A 31 -25.041 -4.537 -2.760 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.182 -4.517 -1.508 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.771 -3.819 -3.494 1.00 0.00 O ATOM 0 H GLU A 31 -22.416 -7.481 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.206 -6.644 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.374 -5.383 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.384 -4.443 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.462 -5.540 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.443 -6.548 -3.111 1.00 0.00 H new ATOM 470 N LEU A 32 -19.610 -6.322 -3.224 1.00 0.00 N ATOM 471 CA LEU A 32 -18.181 -6.292 -3.242 1.00 0.00 C ATOM 472 C LEU A 32 -17.553 -7.365 -4.062 1.00 0.00 C ATOM 473 O LEU A 32 -16.666 -7.176 -4.893 1.00 0.00 O ATOM 474 CB LEU A 32 -17.525 -6.466 -1.861 1.00 0.00 C ATOM 475 CG LEU A 32 -17.438 -5.254 -0.918 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.226 -5.558 -0.022 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.071 -4.033 -1.779 1.00 0.00 C ATOM 0 H LEU A 32 -19.982 -6.462 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.005 -5.300 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.067 -7.253 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.511 -6.831 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.356 -5.072 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.085 -4.743 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.399 -6.487 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.334 -5.660 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.999 -3.149 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.113 -4.208 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.841 -3.876 -2.535 1.00 0.00 H new ATOM 489 N GLY A 33 -18.047 -8.599 -3.854 1.00 0.00 N ATOM 490 CA GLY A 33 -17.516 -9.808 -4.401 1.00 0.00 C ATOM 491 C GLY A 33 -17.766 -9.840 -5.870 1.00 0.00 C ATOM 492 O GLY A 33 -17.037 -10.367 -6.709 1.00 0.00 O ATOM 0 H GLY A 33 -18.866 -8.761 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.446 -9.871 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.980 -10.671 -3.923 1.00 0.00 H new ATOM 496 N THR A 34 -18.910 -9.283 -6.306 1.00 0.00 N ATOM 497 CA THR A 34 -19.306 -9.282 -7.679 1.00 0.00 C ATOM 498 C THR A 34 -18.390 -8.533 -8.584 1.00 0.00 C ATOM 499 O THR A 34 -17.993 -9.029 -9.638 1.00 0.00 O ATOM 500 CB THR A 34 -20.693 -8.769 -7.930 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.663 -9.668 -7.412 1.00 0.00 O ATOM 502 CG2 THR A 34 -21.076 -8.807 -9.419 1.00 0.00 C ATOM 0 H THR A 34 -19.577 -8.821 -5.687 1.00 0.00 H new ATOM 0 HA THR A 34 -19.265 -10.346 -7.913 1.00 0.00 H new ATOM 0 HB THR A 34 -20.686 -7.770 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.458 -9.866 -6.474 1.00 0.00 H new ATOM 0 HG21 THR A 34 -22.089 -8.425 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.382 -8.189 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.028 -9.834 -9.781 1.00 0.00 H new ATOM 510 N VAL A 35 -17.960 -7.331 -8.161 1.00 0.00 N ATOM 511 CA VAL A 35 -17.063 -6.471 -8.868 1.00 0.00 C ATOM 512 C VAL A 35 -15.711 -7.096 -8.820 1.00 0.00 C ATOM 513 O VAL A 35 -14.900 -6.916 -9.727 1.00 0.00 O ATOM 514 CB VAL A 35 -17.161 -5.043 -8.420 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.044 -4.188 -9.042 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.515 -4.413 -8.789 1.00 0.00 C ATOM 0 H VAL A 35 -18.258 -6.936 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.336 -6.383 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.059 -5.058 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.141 -3.158 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.073 -4.581 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.125 -4.218 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.541 -3.379 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.646 -4.439 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.319 -4.974 -8.313 1.00 0.00 H new ATOM 526 N MET A 36 -15.350 -7.932 -7.831 1.00 0.00 N ATOM 527 CA MET A 36 -14.114 -8.651 -7.806 1.00 0.00 C ATOM 528 C MET A 36 -14.138 -9.579 -8.971 1.00 0.00 C ATOM 529 O MET A 36 -13.281 -9.612 -9.853 1.00 0.00 O ATOM 530 CB MET A 36 -13.839 -9.288 -6.433 1.00 0.00 C ATOM 531 CG MET A 36 -13.294 -8.409 -5.306 1.00 0.00 C ATOM 532 SD MET A 36 -12.879 -9.338 -3.800 1.00 0.00 S ATOM 533 CE MET A 36 -12.419 -7.798 -2.954 1.00 0.00 C ATOM 0 H MET A 36 -15.940 -8.114 -7.019 1.00 0.00 H new ATOM 0 HA MET A 36 -13.252 -7.994 -7.920 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.771 -9.732 -6.083 1.00 0.00 H new ATOM 0 HB3 MET A 36 -13.134 -10.105 -6.584 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.404 -7.889 -5.660 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.033 -7.646 -5.061 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.214 -8.007 -1.904 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.528 -7.379 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.238 -7.083 -3.029 1.00 0.00 H new ATOM 543 N ARG A 37 -15.234 -10.352 -9.073 1.00 0.00 N ATOM 544 CA ARG A 37 -15.327 -11.362 -10.080 1.00 0.00 C ATOM 545 C ARG A 37 -15.372 -10.801 -11.460 1.00 0.00 C ATOM 546 O ARG A 37 -14.729 -11.318 -12.373 1.00 0.00 O ATOM 547 CB ARG A 37 -16.597 -12.181 -9.795 1.00 0.00 C ATOM 548 CG ARG A 37 -16.602 -13.112 -8.581 1.00 0.00 C ATOM 549 CD ARG A 37 -15.459 -14.118 -8.434 1.00 0.00 C ATOM 550 NE ARG A 37 -15.473 -14.851 -9.731 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.000 -16.102 -9.879 1.00 0.00 C ATOM 552 NH1 ARG A 37 -16.762 -16.723 -8.933 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.680 -16.869 -10.962 1.00 0.00 N ATOM 0 H ARG A 37 -16.049 -10.279 -8.464 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.433 -11.984 -10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.425 -11.482 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.809 -12.784 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.615 -12.491 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.537 -13.671 -8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.505 -13.619 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.621 -14.790 -7.591 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.069 -14.396 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.968 -16.250 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.126 -17.660 -9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.041 -16.509 -11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.080 -17.802 -11.062 1.00 0.00 H new ATOM 567 N SER A 38 -16.129 -9.705 -11.643 1.00 0.00 N ATOM 568 CA SER A 38 -16.386 -9.056 -12.891 1.00 0.00 C ATOM 569 C SER A 38 -15.116 -8.434 -13.359 1.00 0.00 C ATOM 570 O SER A 38 -14.972 -8.259 -14.568 1.00 0.00 O ATOM 571 CB SER A 38 -17.601 -8.116 -12.953 1.00 0.00 C ATOM 572 OG SER A 38 -18.757 -8.802 -12.496 1.00 0.00 O ATOM 0 H SER A 38 -16.594 -9.240 -10.863 1.00 0.00 H new ATOM 0 HA SER A 38 -16.711 -9.829 -13.587 1.00 0.00 H new ATOM 0 HB2 SER A 38 -17.423 -7.234 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 38 -17.752 -7.768 -13.975 1.00 0.00 H new ATOM 0 HG SER A 38 -18.671 -8.985 -11.537 1.00 0.00 H new ATOM 578 N LEU A 39 -14.100 -8.141 -12.527 1.00 0.00 N ATOM 579 CA LEU A 39 -12.851 -7.556 -12.907 1.00 0.00 C ATOM 580 C LEU A 39 -11.837 -8.617 -13.163 1.00 0.00 C ATOM 581 O LEU A 39 -10.666 -8.311 -13.382 1.00 0.00 O ATOM 582 CB LEU A 39 -12.245 -6.737 -11.756 1.00 0.00 C ATOM 583 CG LEU A 39 -13.028 -5.415 -11.675 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.673 -4.627 -10.403 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.706 -4.463 -12.839 1.00 0.00 C ATOM 0 H LEU A 39 -14.155 -8.325 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.061 -6.944 -13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.316 -7.284 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.187 -6.547 -11.935 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.076 -5.715 -11.694 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.244 -3.699 -10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.915 -5.225 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.608 -4.397 -10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.286 -3.547 -12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.643 -4.222 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.960 -4.944 -13.783 1.00 0.00 H new ATOM 597 N GLY A 40 -12.231 -9.895 -13.012 1.00 0.00 N ATOM 598 CA GLY A 40 -11.498 -11.085 -13.312 1.00 0.00 C ATOM 599 C GLY A 40 -10.804 -11.669 -12.130 1.00 0.00 C ATOM 600 O GLY A 40 -9.847 -12.423 -12.300 1.00 0.00 O ATOM 0 H GLY A 40 -13.156 -10.113 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.180 -11.827 -13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.761 -10.863 -14.084 1.00 0.00 H new ATOM 604 N GLN A 41 -11.156 -11.336 -10.876 1.00 0.00 N ATOM 605 CA GLN A 41 -10.540 -11.747 -9.652 1.00 0.00 C ATOM 606 C GLN A 41 -11.283 -12.798 -8.902 1.00 0.00 C ATOM 607 O GLN A 41 -12.383 -13.265 -9.194 1.00 0.00 O ATOM 608 CB GLN A 41 -10.456 -10.546 -8.695 1.00 0.00 C ATOM 609 CG GLN A 41 -9.587 -9.441 -9.300 1.00 0.00 C ATOM 610 CD GLN A 41 -8.250 -9.886 -9.875 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.965 -9.689 -11.055 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.372 -10.475 -9.020 1.00 0.00 N ATOM 0 H GLN A 41 -11.950 -10.719 -10.704 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.572 -12.148 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.456 -10.162 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.039 -10.863 -7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.155 -8.951 -10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.398 -8.692 -8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.633 -10.627 -8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.452 -10.765 -9.353 1.00 0.00 H new ATOM 621 N ASN A 42 -10.504 -13.463 -8.031 1.00 0.00 N ATOM 622 CA ASN A 42 -10.791 -14.712 -7.398 1.00 0.00 C ATOM 623 C ASN A 42 -10.647 -14.562 -5.922 1.00 0.00 C ATOM 624 O ASN A 42 -9.608 -14.992 -5.423 1.00 0.00 O ATOM 625 CB ASN A 42 -10.007 -15.881 -8.017 1.00 0.00 C ATOM 626 CG ASN A 42 -10.609 -16.138 -9.391 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.643 -16.765 -9.617 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.909 -15.686 -10.466 1.00 0.00 N ATOM 0 H ASN A 42 -9.597 -13.094 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.829 -14.987 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.948 -15.636 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.081 -16.770 -7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.248 -15.872 -11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.045 -15.161 -10.328 1.00 0.00 H new ATOM 635 N PRO A 43 -11.585 -14.025 -5.199 1.00 0.00 N ATOM 636 CA PRO A 43 -11.463 -13.907 -3.775 1.00 0.00 C ATOM 637 C PRO A 43 -11.906 -15.194 -3.170 1.00 0.00 C ATOM 638 O PRO A 43 -12.420 -16.095 -3.832 1.00 0.00 O ATOM 639 CB PRO A 43 -12.450 -12.790 -3.444 1.00 0.00 C ATOM 640 CG PRO A 43 -13.506 -12.823 -4.561 1.00 0.00 C ATOM 641 CD PRO A 43 -12.658 -13.230 -5.777 1.00 0.00 C ATOM 0 HA PRO A 43 -10.457 -13.697 -3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.908 -12.949 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.949 -11.823 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.298 -13.543 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.984 -11.854 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.240 -13.806 -6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.271 -12.358 -6.305 1.00 0.00 H new ATOM 649 N THR A 44 -11.707 -15.276 -1.842 1.00 0.00 N ATOM 650 CA THR A 44 -12.628 -16.099 -1.122 1.00 0.00 C ATOM 651 C THR A 44 -13.715 -15.273 -0.527 1.00 0.00 C ATOM 652 O THR A 44 -13.752 -14.046 -0.449 1.00 0.00 O ATOM 653 CB THR A 44 -12.027 -16.902 -0.007 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.327 -16.061 0.899 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.897 -17.818 -0.506 1.00 0.00 C ATOM 0 H THR A 44 -10.974 -14.816 -1.303 1.00 0.00 H new ATOM 0 HA THR A 44 -12.998 -16.797 -1.873 1.00 0.00 H new ATOM 0 HB THR A 44 -12.867 -17.442 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.944 -16.604 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.489 -18.382 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.291 -18.509 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.109 -17.213 -0.954 1.00 0.00 H new ATOM 663 N GLU A 45 -14.634 -15.964 0.170 1.00 0.00 N ATOM 664 CA GLU A 45 -15.510 -15.465 1.185 1.00 0.00 C ATOM 665 C GLU A 45 -14.843 -14.802 2.340 1.00 0.00 C ATOM 666 O GLU A 45 -15.185 -13.660 2.644 1.00 0.00 O ATOM 667 CB GLU A 45 -16.381 -16.664 1.596 1.00 0.00 C ATOM 668 CG GLU A 45 -17.302 -17.136 0.469 1.00 0.00 C ATOM 669 CD GLU A 45 -18.013 -18.461 0.704 1.00 0.00 C ATOM 670 OE1 GLU A 45 -17.298 -19.423 1.093 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.272 -18.511 0.696 1.00 0.00 O ATOM 0 H GLU A 45 -14.775 -16.961 0.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.104 -14.643 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.737 -17.488 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.984 -16.391 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.055 -16.367 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.714 -17.218 -0.445 1.00 0.00 H new ATOM 678 N ALA A 46 -13.926 -15.523 3.008 1.00 0.00 N ATOM 679 CA ALA A 46 -13.368 -15.099 4.255 1.00 0.00 C ATOM 680 C ALA A 46 -12.454 -13.929 4.135 1.00 0.00 C ATOM 681 O ALA A 46 -12.617 -13.042 4.971 1.00 0.00 O ATOM 682 CB ALA A 46 -12.655 -16.266 4.958 1.00 0.00 C ATOM 0 H ALA A 46 -13.565 -16.417 2.676 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.211 -14.768 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.238 -15.921 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.369 -17.068 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.852 -16.638 4.322 1.00 0.00 H new ATOM 688 N GLU A 47 -11.508 -13.766 3.192 1.00 0.00 N ATOM 689 CA GLU A 47 -10.773 -12.569 2.922 1.00 0.00 C ATOM 690 C GLU A 47 -11.608 -11.338 2.840 1.00 0.00 C ATOM 691 O GLU A 47 -11.256 -10.226 3.228 1.00 0.00 O ATOM 692 CB GLU A 47 -9.941 -12.696 1.635 1.00 0.00 C ATOM 693 CG GLU A 47 -8.900 -13.817 1.648 1.00 0.00 C ATOM 694 CD GLU A 47 -7.921 -13.424 2.744 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.050 -12.571 2.427 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.032 -13.935 3.891 1.00 0.00 O ATOM 0 H GLU A 47 -11.238 -14.530 2.572 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.118 -12.455 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.618 -12.859 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.432 -11.749 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.361 -14.783 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.400 -13.904 0.683 1.00 0.00 H new ATOM 703 N LEU A 48 -12.826 -11.464 2.283 1.00 0.00 N ATOM 704 CA LEU A 48 -13.665 -10.366 1.912 1.00 0.00 C ATOM 705 C LEU A 48 -14.447 -10.009 3.128 1.00 0.00 C ATOM 706 O LEU A 48 -14.685 -8.823 3.355 1.00 0.00 O ATOM 707 CB LEU A 48 -14.650 -10.816 0.820 1.00 0.00 C ATOM 708 CG LEU A 48 -14.438 -10.135 -0.543 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.516 -10.715 -1.474 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.747 -8.631 -0.450 1.00 0.00 C ATOM 0 H LEU A 48 -13.245 -12.372 2.082 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.074 -9.529 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.564 -11.895 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.666 -10.616 1.159 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.413 -10.291 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.420 -10.270 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.390 -11.795 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.504 -10.492 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.591 -8.167 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.783 -8.491 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.086 -8.168 0.282 1.00 0.00 H new ATOM 722 N GLN A 49 -14.874 -11.014 3.914 1.00 0.00 N ATOM 723 CA GLN A 49 -15.555 -10.808 5.154 1.00 0.00 C ATOM 724 C GLN A 49 -14.725 -10.091 6.163 1.00 0.00 C ATOM 725 O GLN A 49 -15.251 -9.174 6.792 1.00 0.00 O ATOM 726 CB GLN A 49 -15.965 -12.191 5.689 1.00 0.00 C ATOM 727 CG GLN A 49 -16.768 -12.277 6.988 1.00 0.00 C ATOM 728 CD GLN A 49 -17.316 -13.688 7.150 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.510 -13.967 7.049 1.00 0.00 O ATOM 730 NE2 GLN A 49 -16.508 -14.754 7.393 1.00 0.00 N ATOM 0 H GLN A 49 -14.742 -11.998 3.680 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.422 -10.172 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.545 -12.686 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.054 -12.774 5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.135 -12.021 7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.586 -11.557 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.502 -14.619 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.908 -15.689 7.476 1.00 0.00 H new ATOM 739 N ASP A 50 -13.404 -10.325 6.245 1.00 0.00 N ATOM 740 CA ASP A 50 -12.399 -9.622 6.980 1.00 0.00 C ATOM 741 C ASP A 50 -12.279 -8.215 6.506 1.00 0.00 C ATOM 742 O ASP A 50 -12.189 -7.265 7.282 1.00 0.00 O ATOM 743 CB ASP A 50 -11.019 -10.283 6.823 1.00 0.00 C ATOM 744 CG ASP A 50 -10.923 -11.663 7.459 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.643 -12.059 8.414 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.029 -12.410 6.980 1.00 0.00 O ATOM 0 H ASP A 50 -12.994 -11.105 5.731 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.707 -9.648 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.784 -10.365 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.263 -9.635 7.267 1.00 0.00 H new ATOM 751 N MET A 51 -12.347 -7.902 5.200 1.00 0.00 N ATOM 752 CA MET A 51 -12.311 -6.561 4.702 1.00 0.00 C ATOM 753 C MET A 51 -13.369 -5.718 5.328 1.00 0.00 C ATOM 754 O MET A 51 -13.136 -4.558 5.664 1.00 0.00 O ATOM 755 CB MET A 51 -12.301 -6.461 3.168 1.00 0.00 C ATOM 756 CG MET A 51 -12.175 -5.047 2.596 1.00 0.00 C ATOM 757 SD MET A 51 -12.507 -4.903 0.814 1.00 0.00 S ATOM 758 CE MET A 51 -12.304 -3.099 0.772 1.00 0.00 C ATOM 0 H MET A 51 -12.430 -8.605 4.466 1.00 0.00 H new ATOM 0 HA MET A 51 -11.346 -6.155 5.006 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.474 -7.062 2.788 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.220 -6.907 2.787 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.862 -4.393 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.167 -4.681 2.793 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.124 -2.777 -0.254 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.209 -2.622 1.149 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.457 -2.814 1.396 1.00 0.00 H new ATOM 768 N ILE A 52 -14.595 -6.257 5.447 1.00 0.00 N ATOM 769 CA ILE A 52 -15.782 -5.694 6.012 1.00 0.00 C ATOM 770 C ILE A 52 -15.663 -5.682 7.497 1.00 0.00 C ATOM 771 O ILE A 52 -15.875 -4.620 8.079 1.00 0.00 O ATOM 772 CB ILE A 52 -17.104 -6.310 5.659 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.289 -6.289 4.133 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.319 -5.757 6.423 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.600 -6.956 3.717 1.00 0.00 C ATOM 0 H ILE A 52 -14.771 -7.202 5.105 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.818 -4.704 5.556 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.065 -7.344 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.276 -5.258 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.452 -6.801 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.222 -6.270 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.181 -5.919 7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.417 -4.689 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.697 -6.923 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.602 -7.994 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.438 -6.428 4.172 1.00 0.00 H new ATOM 787 N ASN A 53 -15.269 -6.751 8.212 1.00 0.00 N ATOM 788 CA ASN A 53 -15.204 -6.866 9.636 1.00 0.00 C ATOM 789 C ASN A 53 -14.323 -5.849 10.276 1.00 0.00 C ATOM 790 O ASN A 53 -14.514 -5.508 11.443 1.00 0.00 O ATOM 791 CB ASN A 53 -14.803 -8.311 9.978 1.00 0.00 C ATOM 792 CG ASN A 53 -15.295 -8.732 11.355 1.00 0.00 C ATOM 793 OD1 ASN A 53 -16.046 -8.053 12.053 1.00 0.00 O ATOM 794 ND2 ASN A 53 -14.655 -9.852 11.787 1.00 0.00 N ATOM 0 H ASN A 53 -14.970 -7.610 7.751 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.187 -6.651 10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.210 -8.987 9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.718 -8.405 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.785 -10.176 12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.045 -10.368 11.153 1.00 0.00 H new ATOM 801 N GLU A 54 -13.332 -5.349 9.516 1.00 0.00 N ATOM 802 CA GLU A 54 -12.356 -4.390 9.930 1.00 0.00 C ATOM 803 C GLU A 54 -12.941 -3.086 10.352 1.00 0.00 C ATOM 804 O GLU A 54 -12.617 -2.441 11.348 1.00 0.00 O ATOM 805 CB GLU A 54 -11.384 -4.133 8.767 1.00 0.00 C ATOM 806 CG GLU A 54 -10.040 -3.650 9.316 1.00 0.00 C ATOM 807 CD GLU A 54 -8.991 -3.492 8.225 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.296 -2.718 7.279 1.00 0.00 O ATOM 809 OE2 GLU A 54 -7.845 -4.007 8.314 1.00 0.00 O ATOM 0 H GLU A 54 -13.205 -5.636 8.545 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.852 -4.813 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.244 -5.046 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.801 -3.387 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.180 -2.695 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.680 -4.358 10.063 1.00 0.00 H new ATOM 816 N VAL A 55 -13.891 -2.633 9.514 1.00 0.00 N ATOM 817 CA VAL A 55 -14.626 -1.417 9.674 1.00 0.00 C ATOM 818 C VAL A 55 -15.968 -1.479 10.320 1.00 0.00 C ATOM 819 O VAL A 55 -16.534 -0.451 10.686 1.00 0.00 O ATOM 820 CB VAL A 55 -14.681 -0.610 8.411 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.274 -0.246 7.910 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.439 -1.292 7.259 1.00 0.00 C ATOM 0 H VAL A 55 -14.161 -3.147 8.675 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.018 -0.908 10.422 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.234 0.287 8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.354 0.338 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.757 0.340 8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.711 -1.158 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.432 -0.642 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.954 -2.237 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.469 -1.481 7.562 1.00 0.00 H new ATOM 832 N ASP A 56 -16.474 -2.707 10.532 1.00 0.00 N ATOM 833 CA ASP A 56 -17.785 -3.060 10.980 1.00 0.00 C ATOM 834 C ASP A 56 -17.906 -2.869 12.453 1.00 0.00 C ATOM 835 O ASP A 56 -17.866 -3.835 13.213 1.00 0.00 O ATOM 836 CB ASP A 56 -18.152 -4.467 10.480 1.00 0.00 C ATOM 837 CG ASP A 56 -19.658 -4.677 10.564 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.469 -4.028 9.851 1.00 0.00 O ATOM 839 OD2 ASP A 56 -19.967 -5.583 11.383 1.00 0.00 O ATOM 0 H ASP A 56 -15.903 -3.537 10.372 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.526 -2.389 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.816 -4.595 9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.638 -5.219 11.078 1.00 0.00 H new ATOM 844 N ALA A 57 -18.071 -1.626 12.941 1.00 0.00 N ATOM 845 CA ALA A 57 -18.019 -1.261 14.323 1.00 0.00 C ATOM 846 C ALA A 57 -19.370 -1.206 14.950 1.00 0.00 C ATOM 847 O ALA A 57 -19.449 -1.272 16.175 1.00 0.00 O ATOM 848 CB ALA A 57 -17.348 0.121 14.408 1.00 0.00 C ATOM 0 H ALA A 57 -18.252 -0.828 12.333 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.455 -2.018 14.869 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.290 0.434 15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.343 0.064 13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.935 0.846 13.844 1.00 0.00 H new ATOM 854 N ASP A 58 -20.370 -1.175 14.051 1.00 0.00 N ATOM 855 CA ASP A 58 -21.761 -1.228 14.380 1.00 0.00 C ATOM 856 C ASP A 58 -22.208 -2.587 14.797 1.00 0.00 C ATOM 857 O ASP A 58 -22.800 -2.769 15.860 1.00 0.00 O ATOM 858 CB ASP A 58 -22.620 -0.636 13.251 1.00 0.00 C ATOM 859 CG ASP A 58 -22.295 -1.074 11.830 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.403 -1.946 11.653 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.853 -0.504 10.854 1.00 0.00 O ATOM 0 H ASP A 58 -20.201 -1.110 13.047 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.907 -0.599 15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.662 -0.886 13.452 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.538 0.450 13.297 1.00 0.00 H new ATOM 866 N GLY A 59 -21.786 -3.571 13.983 1.00 0.00 N ATOM 867 CA GLY A 59 -22.156 -4.934 14.204 1.00 0.00 C ATOM 868 C GLY A 59 -23.120 -5.481 13.208 1.00 0.00 C ATOM 869 O GLY A 59 -24.056 -6.111 13.699 1.00 0.00 O ATOM 0 H GLY A 59 -21.188 -3.422 13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.255 -5.548 14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.592 -5.022 15.199 1.00 0.00 H new ATOM 873 N ASN A 60 -22.915 -5.335 11.887 1.00 0.00 N ATOM 874 CA ASN A 60 -23.868 -5.850 10.953 1.00 0.00 C ATOM 875 C ASN A 60 -23.336 -6.619 9.793 1.00 0.00 C ATOM 876 O ASN A 60 -23.966 -7.564 9.320 1.00 0.00 O ATOM 877 CB ASN A 60 -24.888 -4.769 10.557 1.00 0.00 C ATOM 878 CG ASN A 60 -24.352 -3.378 10.253 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.294 -3.356 9.625 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.976 -2.298 10.794 1.00 0.00 N ATOM 0 H ASN A 60 -22.107 -4.871 11.471 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.386 -6.636 11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.428 -5.121 9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.615 -4.681 11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.566 -1.369 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.854 -2.416 11.299 1.00 0.00 H new ATOM 887 N GLY A 61 -22.116 -6.358 9.291 1.00 0.00 N ATOM 888 CA GLY A 61 -21.649 -7.044 8.127 1.00 0.00 C ATOM 889 C GLY A 61 -22.060 -6.480 6.811 1.00 0.00 C ATOM 890 O GLY A 61 -21.872 -7.116 5.775 1.00 0.00 O ATOM 0 H GLY A 61 -21.461 -5.682 9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.560 -7.071 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.995 -8.076 8.178 1.00 0.00 H new ATOM 894 N THR A 62 -22.562 -5.232 6.808 1.00 0.00 N ATOM 895 CA THR A 62 -22.607 -4.407 5.641 1.00 0.00 C ATOM 896 C THR A 62 -21.742 -3.222 5.898 1.00 0.00 C ATOM 897 O THR A 62 -21.469 -2.905 7.055 1.00 0.00 O ATOM 898 CB THR A 62 -23.968 -3.911 5.252 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.739 -3.536 6.384 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.664 -5.171 4.710 1.00 0.00 C ATOM 0 H THR A 62 -22.947 -4.785 7.640 1.00 0.00 H new ATOM 0 HA THR A 62 -22.272 -5.031 4.813 1.00 0.00 H new ATOM 0 HB THR A 62 -23.883 -3.060 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.618 -3.217 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.676 -4.920 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.104 -5.559 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.706 -5.929 5.492 1.00 0.00 H new ATOM 908 N ILE A 63 -21.265 -2.619 4.794 1.00 0.00 N ATOM 909 CA ILE A 63 -20.543 -1.385 4.766 1.00 0.00 C ATOM 910 C ILE A 63 -21.432 -0.349 4.167 1.00 0.00 C ATOM 911 O ILE A 63 -21.969 -0.465 3.066 1.00 0.00 O ATOM 912 CB ILE A 63 -19.318 -1.422 3.901 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.330 -2.497 4.384 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.621 -0.055 3.799 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.049 -2.582 3.555 1.00 0.00 C ATOM 0 H ILE A 63 -21.392 -3.019 3.864 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.238 -1.179 5.792 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.657 -1.683 2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.066 -2.293 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.827 -3.467 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.741 -0.142 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.310 0.673 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.317 0.274 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.405 -3.363 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.300 -2.818 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.527 -1.626 3.593 1.00 0.00 H new ATOM 927 N ASP A 64 -21.626 0.793 4.850 1.00 0.00 N ATOM 928 CA ASP A 64 -22.438 1.891 4.427 1.00 0.00 C ATOM 929 C ASP A 64 -21.619 3.080 4.056 1.00 0.00 C ATOM 930 O ASP A 64 -20.408 3.031 4.263 1.00 0.00 O ATOM 931 CB ASP A 64 -23.684 2.137 5.294 1.00 0.00 C ATOM 932 CG ASP A 64 -23.239 2.374 6.730 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.302 3.197 6.908 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.765 1.748 7.689 1.00 0.00 O ATOM 0 H ASP A 64 -21.187 0.959 5.756 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.910 1.600 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.239 2.999 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.355 1.280 5.243 1.00 0.00 H new ATOM 939 N PHE A 65 -22.152 4.180 3.494 1.00 0.00 N ATOM 940 CA PHE A 65 -21.344 5.286 3.085 1.00 0.00 C ATOM 941 C PHE A 65 -20.493 5.939 4.120 1.00 0.00 C ATOM 942 O PHE A 65 -19.313 6.162 3.854 1.00 0.00 O ATOM 943 CB PHE A 65 -22.103 6.360 2.288 1.00 0.00 C ATOM 944 CG PHE A 65 -21.215 7.291 1.537 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.746 7.022 0.273 1.00 0.00 C ATOM 946 CD2 PHE A 65 -20.671 8.379 2.179 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.742 7.745 -0.326 1.00 0.00 C ATOM 948 CE2 PHE A 65 -19.650 9.108 1.617 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.211 8.821 0.346 1.00 0.00 C ATOM 0 H PHE A 65 -23.150 4.303 3.322 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.648 4.768 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.777 5.869 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.723 6.938 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.188 6.203 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.055 8.667 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.377 7.473 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -19.191 9.910 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.455 9.435 -0.121 1.00 0.00 H new ATOM 959 N PRO A 66 -20.903 6.283 5.304 1.00 0.00 N ATOM 960 CA PRO A 66 -19.935 6.836 6.207 1.00 0.00 C ATOM 961 C PRO A 66 -18.936 5.839 6.686 1.00 0.00 C ATOM 962 O PRO A 66 -17.899 6.331 7.128 1.00 0.00 O ATOM 963 CB PRO A 66 -20.732 7.505 7.324 1.00 0.00 C ATOM 964 CG PRO A 66 -22.117 6.838 7.277 1.00 0.00 C ATOM 965 CD PRO A 66 -22.257 6.520 5.780 1.00 0.00 C ATOM 0 HA PRO A 66 -19.307 7.570 5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.255 7.357 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.806 8.581 7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.160 5.939 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.905 7.504 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.887 5.645 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.722 7.348 5.245 1.00 0.00 H new ATOM 973 N GLU A 67 -19.291 4.542 6.698 1.00 0.00 N ATOM 974 CA GLU A 67 -18.409 3.452 6.976 1.00 0.00 C ATOM 975 C GLU A 67 -17.378 3.310 5.909 1.00 0.00 C ATOM 976 O GLU A 67 -16.187 3.265 6.211 1.00 0.00 O ATOM 977 CB GLU A 67 -19.213 2.218 7.419 1.00 0.00 C ATOM 978 CG GLU A 67 -18.409 1.248 8.289 1.00 0.00 C ATOM 979 CD GLU A 67 -19.342 0.127 8.723 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.348 0.457 9.406 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.136 -1.105 8.556 1.00 0.00 O ATOM 0 H GLU A 67 -20.245 4.238 6.503 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.782 3.641 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.093 2.546 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.571 1.690 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.563 0.846 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.001 1.763 9.159 1.00 0.00 H new ATOM 988 N PHE A 68 -17.783 3.392 4.629 1.00 0.00 N ATOM 989 CA PHE A 68 -16.964 3.456 3.459 1.00 0.00 C ATOM 990 C PHE A 68 -16.016 4.604 3.509 1.00 0.00 C ATOM 991 O PHE A 68 -14.857 4.467 3.122 1.00 0.00 O ATOM 992 CB PHE A 68 -17.832 3.460 2.189 1.00 0.00 C ATOM 993 CG PHE A 68 -17.070 3.231 0.929 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.642 1.973 0.573 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.727 4.305 0.142 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.965 1.849 -0.617 1.00 0.00 C ATOM 997 CE2 PHE A 68 -15.959 4.154 -0.987 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.614 2.899 -1.432 1.00 0.00 C ATOM 0 H PHE A 68 -18.775 3.415 4.394 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.347 2.558 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.597 2.690 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.350 4.417 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.830 1.117 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.070 5.291 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.689 0.854 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.624 5.026 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.097 2.747 -2.368 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.426 5.775 4.029 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.747 7.030 4.111 1.00 0.00 C ATOM 1010 C LEU A 69 -14.738 7.001 5.208 1.00 0.00 C ATOM 1011 O LEU A 69 -13.651 7.556 5.057 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.812 8.140 4.109 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.271 9.562 3.882 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -15.760 10.284 5.140 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.313 9.727 2.690 1.00 0.00 C ATOM 0 H LEU A 69 -17.355 5.845 4.444 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.121 7.254 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.544 7.918 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.341 8.117 5.062 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.182 10.087 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.401 11.277 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -16.572 10.376 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.944 9.712 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.993 10.767 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.442 9.087 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.825 9.444 1.770 1.00 0.00 H new ATOM 1027 N THR A 70 -14.968 6.306 6.336 1.00 0.00 N ATOM 1028 CA THR A 70 -14.097 5.876 7.385 1.00 0.00 C ATOM 1029 C THR A 70 -13.031 4.931 6.948 1.00 0.00 C ATOM 1030 O THR A 70 -11.916 4.944 7.465 1.00 0.00 O ATOM 1031 CB THR A 70 -14.810 5.360 8.600 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.710 6.348 9.080 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.827 5.272 9.779 1.00 0.00 C ATOM 0 H THR A 70 -15.920 6.001 6.537 1.00 0.00 H new ATOM 0 HA THR A 70 -13.595 6.797 7.680 1.00 0.00 H new ATOM 0 HB THR A 70 -15.273 4.415 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.495 6.387 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.348 4.897 10.660 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.012 4.595 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.423 6.262 9.991 1.00 0.00 H new ATOM 1041 N MET A 71 -13.354 3.976 6.057 1.00 0.00 N ATOM 1042 CA MET A 71 -12.404 3.142 5.391 1.00 0.00 C ATOM 1043 C MET A 71 -11.509 3.931 4.498 1.00 0.00 C ATOM 1044 O MET A 71 -10.282 3.849 4.501 1.00 0.00 O ATOM 1045 CB MET A 71 -13.114 2.066 4.552 1.00 0.00 C ATOM 1046 CG MET A 71 -12.092 1.174 3.845 1.00 0.00 C ATOM 1047 SD MET A 71 -12.985 0.061 2.718 1.00 0.00 S ATOM 1048 CE MET A 71 -13.080 -1.328 3.884 1.00 0.00 C ATOM 0 H MET A 71 -14.318 3.777 5.790 1.00 0.00 H new ATOM 0 HA MET A 71 -11.802 2.669 6.167 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.752 1.459 5.194 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.762 2.540 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.377 1.782 3.290 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.522 0.598 4.574 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.601 -2.162 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.073 -1.639 4.162 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.623 -1.017 4.776 1.00 0.00 H new ATOM 1058 N MET A 72 -12.064 4.787 3.621 1.00 0.00 N ATOM 1059 CA MET A 72 -11.322 5.676 2.782 1.00 0.00 C ATOM 1060 C MET A 72 -10.458 6.678 3.467 1.00 0.00 C ATOM 1061 O MET A 72 -9.276 6.706 3.128 1.00 0.00 O ATOM 1062 CB MET A 72 -12.327 6.327 1.816 1.00 0.00 C ATOM 1063 CG MET A 72 -12.994 5.373 0.823 1.00 0.00 C ATOM 1064 SD MET A 72 -11.808 4.605 -0.321 1.00 0.00 S ATOM 1065 CE MET A 72 -12.103 2.835 -0.044 1.00 0.00 C ATOM 0 H MET A 72 -13.073 4.863 3.491 1.00 0.00 H new ATOM 0 HA MET A 72 -10.577 5.080 2.255 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.105 6.816 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.813 7.107 1.255 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.519 4.592 1.373 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.744 5.918 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.776 2.271 -0.917 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.543 2.505 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.167 2.665 0.121 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.975 7.475 4.419 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.117 8.423 5.061 1.00 0.00 C ATOM 1077 C ALA A 73 -8.915 7.811 5.694 1.00 0.00 C ATOM 1078 O ALA A 73 -7.827 8.383 5.720 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.951 9.344 5.968 1.00 0.00 C ATOM 0 H ALA A 73 -11.945 7.468 4.735 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.667 9.061 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.295 10.065 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.690 9.874 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.459 8.746 6.724 1.00 0.00 H new ATOM 1234 N GLU A 83 3.971 14.667 -3.914 1.00 0.00 N ATOM 1235 CA GLU A 83 4.962 15.351 -4.685 1.00 0.00 C ATOM 1236 C GLU A 83 5.804 14.282 -5.291 1.00 0.00 C ATOM 1237 O GLU A 83 5.775 13.990 -6.486 1.00 0.00 O ATOM 1238 CB GLU A 83 5.912 16.390 -4.065 1.00 0.00 C ATOM 1239 CG GLU A 83 5.255 17.424 -3.148 1.00 0.00 C ATOM 1240 CD GLU A 83 6.264 18.228 -2.342 1.00 0.00 C ATOM 1241 OE1 GLU A 83 7.334 18.631 -2.872 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.072 18.527 -1.133 1.00 0.00 O ATOM 0 HA GLU A 83 4.364 15.986 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.678 15.862 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.421 16.918 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.653 18.105 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.574 16.916 -2.465 1.00 0.00 H new ATOM 1249 N GLU A 84 6.645 13.612 -4.483 1.00 0.00 N ATOM 1250 CA GLU A 84 7.661 12.761 -5.020 1.00 0.00 C ATOM 1251 C GLU A 84 7.147 11.567 -5.749 1.00 0.00 C ATOM 1252 O GLU A 84 7.561 11.092 -6.805 1.00 0.00 O ATOM 1253 CB GLU A 84 8.586 12.160 -3.948 1.00 0.00 C ATOM 1254 CG GLU A 84 9.570 13.229 -3.468 1.00 0.00 C ATOM 1255 CD GLU A 84 10.609 12.457 -2.667 1.00 0.00 C ATOM 1256 OE1 GLU A 84 10.389 11.996 -1.516 1.00 0.00 O ATOM 1257 OE2 GLU A 84 11.770 12.313 -3.134 1.00 0.00 O ATOM 0 H GLU A 84 6.622 13.659 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 84 8.182 13.446 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.996 11.790 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.129 11.308 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.026 13.755 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.072 13.980 -2.854 1.00 0.00 H new ATOM 1264 N ILE A 85 6.123 10.959 -5.124 1.00 0.00 N ATOM 1265 CA ILE A 85 5.319 9.926 -5.700 1.00 0.00 C ATOM 1266 C ILE A 85 4.702 10.395 -6.972 1.00 0.00 C ATOM 1267 O ILE A 85 4.662 9.602 -7.912 1.00 0.00 O ATOM 1268 CB ILE A 85 4.327 9.359 -4.729 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.031 10.181 -4.635 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.048 9.264 -3.374 1.00 0.00 C ATOM 1271 CD1 ILE A 85 2.121 9.698 -3.506 1.00 0.00 C ATOM 0 H ILE A 85 5.843 11.199 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 85 5.971 9.089 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 85 3.995 8.378 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.279 11.230 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.495 10.121 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.367 8.855 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.916 8.612 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.372 10.257 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.219 10.309 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.849 8.657 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.645 9.784 -2.554 1.00 0.00 H new ATOM 1283 N ARG A 86 4.173 11.627 -7.082 1.00 0.00 N ATOM 1284 CA ARG A 86 3.495 12.097 -8.250 1.00 0.00 C ATOM 1285 C ARG A 86 4.451 12.232 -9.385 1.00 0.00 C ATOM 1286 O ARG A 86 4.283 11.590 -10.421 1.00 0.00 O ATOM 1287 CB ARG A 86 2.779 13.444 -8.055 1.00 0.00 C ATOM 1288 CG ARG A 86 1.293 13.333 -7.705 1.00 0.00 C ATOM 1289 CD ARG A 86 0.598 14.696 -7.702 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.807 14.407 -7.300 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.715 15.369 -6.964 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.646 16.616 -7.516 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -2.804 15.042 -6.208 1.00 0.00 N ATOM 0 H ARG A 86 4.219 12.318 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 86 2.732 11.348 -8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.284 13.998 -7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.880 14.030 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.800 12.677 -8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.186 12.870 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.076 15.382 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.640 15.163 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.108 13.433 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.910 16.837 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.330 17.327 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.938 14.080 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.484 15.759 -5.956 1.00 0.00 H new ATOM 1307 N GLU A 87 5.630 12.817 -9.108 1.00 0.00 N ATOM 1308 CA GLU A 87 6.644 12.943 -10.108 1.00 0.00 C ATOM 1309 C GLU A 87 7.339 11.678 -10.479 1.00 0.00 C ATOM 1310 O GLU A 87 7.670 11.576 -11.659 1.00 0.00 O ATOM 1311 CB GLU A 87 7.721 14.006 -9.832 1.00 0.00 C ATOM 1312 CG GLU A 87 7.133 15.408 -10.003 1.00 0.00 C ATOM 1313 CD GLU A 87 7.189 16.132 -11.340 1.00 0.00 C ATOM 1314 OE1 GLU A 87 8.075 15.821 -12.180 1.00 0.00 O ATOM 1315 OE2 GLU A 87 6.326 17.009 -11.611 1.00 0.00 O ATOM 0 H GLU A 87 5.880 13.201 -8.197 1.00 0.00 H new ATOM 0 HA GLU A 87 6.033 13.271 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.109 13.887 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.560 13.870 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.083 15.349 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.626 16.050 -9.273 1.00 0.00 H new ATOM 1322 N ALA A 88 7.475 10.611 -9.672 1.00 0.00 N ATOM 1323 CA ALA A 88 7.854 9.289 -10.063 1.00 0.00 C ATOM 1324 C ALA A 88 6.730 8.821 -10.922 1.00 0.00 C ATOM 1325 O ALA A 88 7.010 8.315 -12.008 1.00 0.00 O ATOM 1326 CB ALA A 88 8.231 8.324 -8.926 1.00 0.00 C ATOM 0 H ALA A 88 7.307 10.680 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 88 8.804 9.310 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.500 7.355 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.079 8.727 -8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.382 8.205 -8.253 1.00 0.00 H new ATOM 1332 N PHE A 89 5.455 8.814 -10.495 1.00 0.00 N ATOM 1333 CA PHE A 89 4.373 8.219 -11.216 1.00 0.00 C ATOM 1334 C PHE A 89 4.234 8.798 -12.582 1.00 0.00 C ATOM 1335 O PHE A 89 3.983 8.132 -13.585 1.00 0.00 O ATOM 1336 CB PHE A 89 3.028 8.318 -10.475 1.00 0.00 C ATOM 1337 CG PHE A 89 2.106 7.267 -10.992 1.00 0.00 C ATOM 1338 CD1 PHE A 89 1.356 7.466 -12.127 1.00 0.00 C ATOM 1339 CD2 PHE A 89 2.008 6.039 -10.381 1.00 0.00 C ATOM 1340 CE1 PHE A 89 0.608 6.459 -12.689 1.00 0.00 C ATOM 1341 CE2 PHE A 89 1.326 4.993 -10.958 1.00 0.00 C ATOM 1342 CZ PHE A 89 0.625 5.206 -12.121 1.00 0.00 C ATOM 0 H PHE A 89 5.167 9.239 -9.614 1.00 0.00 H new ATOM 0 HA PHE A 89 4.629 7.163 -11.300 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.179 8.191 -9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.591 9.306 -10.620 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.355 8.442 -12.590 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.480 5.892 -9.421 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.012 6.650 -13.569 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.341 4.014 -10.502 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.089 4.392 -12.587 1.00 0.00 H new ATOM 1352 N ARG A 90 4.441 10.118 -12.737 1.00 0.00 N ATOM 1353 CA ARG A 90 4.387 10.856 -13.961 1.00 0.00 C ATOM 1354 C ARG A 90 5.514 10.587 -14.897 1.00 0.00 C ATOM 1355 O ARG A 90 5.391 10.574 -16.121 1.00 0.00 O ATOM 1356 CB ARG A 90 4.152 12.364 -13.767 1.00 0.00 C ATOM 1357 CG ARG A 90 4.141 13.208 -15.043 1.00 0.00 C ATOM 1358 CD ARG A 90 2.868 13.218 -15.891 1.00 0.00 C ATOM 1359 NE ARG A 90 2.983 12.011 -16.757 1.00 0.00 N ATOM 1360 CZ ARG A 90 2.276 11.898 -17.919 1.00 0.00 C ATOM 1361 NH1 ARG A 90 1.163 12.636 -18.203 1.00 0.00 N ATOM 1362 NH2 ARG A 90 2.442 10.817 -18.736 1.00 0.00 N ATOM 0 H ARG A 90 4.664 10.716 -11.941 1.00 0.00 H new ATOM 0 HA ARG A 90 3.497 10.462 -14.451 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.199 12.501 -13.256 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.927 12.751 -13.105 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.363 14.238 -14.763 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.960 12.866 -15.676 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.976 13.174 -15.267 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.796 14.128 -16.487 1.00 0.00 H new ATOM 0 HE ARG A 90 3.604 11.252 -16.475 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.817 13.318 -17.528 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.677 12.506 -19.090 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.101 10.081 -18.481 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.907 10.745 -19.602 1.00 0.00 H new ATOM 1376 N VAL A 91 6.653 10.227 -14.279 1.00 0.00 N ATOM 1377 CA VAL A 91 7.678 9.590 -15.045 1.00 0.00 C ATOM 1378 C VAL A 91 7.301 8.217 -15.482 1.00 0.00 C ATOM 1379 O VAL A 91 7.448 7.849 -16.647 1.00 0.00 O ATOM 1380 CB VAL A 91 8.949 9.441 -14.263 1.00 0.00 C ATOM 1381 CG1 VAL A 91 10.045 8.532 -14.845 1.00 0.00 C ATOM 1382 CG2 VAL A 91 9.603 10.831 -14.183 1.00 0.00 C ATOM 0 H VAL A 91 6.860 10.369 -13.290 1.00 0.00 H new ATOM 0 HA VAL A 91 7.817 10.241 -15.908 1.00 0.00 H new ATOM 0 HB VAL A 91 8.628 8.986 -13.326 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.903 8.521 -14.173 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.657 7.519 -14.955 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.352 8.911 -15.820 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.534 10.763 -13.620 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.814 11.192 -15.190 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.926 11.524 -13.683 1.00 0.00 H new ATOM 1392 N PHE A 92 6.756 7.332 -14.628 1.00 0.00 N ATOM 1393 CA PHE A 92 6.491 5.943 -14.842 1.00 0.00 C ATOM 1394 C PHE A 92 5.407 5.748 -15.846 1.00 0.00 C ATOM 1395 O PHE A 92 5.561 4.951 -16.770 1.00 0.00 O ATOM 1396 CB PHE A 92 6.270 5.210 -13.509 1.00 0.00 C ATOM 1397 CG PHE A 92 7.525 4.746 -12.852 1.00 0.00 C ATOM 1398 CD1 PHE A 92 8.475 5.617 -12.374 1.00 0.00 C ATOM 1399 CD2 PHE A 92 7.784 3.412 -12.643 1.00 0.00 C ATOM 1400 CE1 PHE A 92 9.544 5.178 -11.630 1.00 0.00 C ATOM 1401 CE2 PHE A 92 8.907 2.960 -11.991 1.00 0.00 C ATOM 1402 CZ PHE A 92 9.803 3.842 -11.433 1.00 0.00 C ATOM 0 H PHE A 92 6.473 7.622 -13.692 1.00 0.00 H new ATOM 0 HA PHE A 92 7.372 5.476 -15.283 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.739 5.873 -12.826 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.624 4.349 -13.683 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.379 6.671 -12.588 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.073 2.686 -13.008 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.204 5.908 -11.185 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.088 1.898 -11.916 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.662 3.504 -10.872 1.00 0.00 H new ATOM 1412 N ASP A 93 4.303 6.500 -15.691 1.00 0.00 N ATOM 1413 CA ASP A 93 3.215 6.503 -16.620 1.00 0.00 C ATOM 1414 C ASP A 93 3.556 7.284 -17.842 1.00 0.00 C ATOM 1415 O ASP A 93 3.721 8.496 -17.978 1.00 0.00 O ATOM 1416 CB ASP A 93 1.918 7.075 -16.023 1.00 0.00 C ATOM 1417 CG ASP A 93 0.669 6.804 -16.849 1.00 0.00 C ATOM 1418 OD1 ASP A 93 0.714 6.158 -17.930 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -0.409 7.331 -16.466 1.00 0.00 O ATOM 0 H ASP A 93 4.163 7.124 -14.897 1.00 0.00 H new ATOM 0 HA ASP A 93 3.044 5.457 -16.874 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.777 6.657 -15.026 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.032 8.152 -15.904 1.00 0.00 H new ATOM 1424 N LYS A 94 3.664 6.540 -18.958 1.00 0.00 N ATOM 1425 CA LYS A 94 4.200 6.998 -20.202 1.00 0.00 C ATOM 1426 C LYS A 94 3.254 7.877 -20.946 1.00 0.00 C ATOM 1427 O LYS A 94 3.649 8.972 -21.343 1.00 0.00 O ATOM 1428 CB LYS A 94 4.790 5.978 -21.190 1.00 0.00 C ATOM 1429 CG LYS A 94 5.492 6.624 -22.387 1.00 0.00 C ATOM 1430 CD LYS A 94 6.570 5.643 -22.849 1.00 0.00 C ATOM 1431 CE LYS A 94 7.265 6.198 -24.094 1.00 0.00 C ATOM 1432 NZ LYS A 94 8.245 7.256 -23.760 1.00 0.00 N ATOM 0 H LYS A 94 3.361 5.567 -18.993 1.00 0.00 H new ATOM 0 HA LYS A 94 5.066 7.543 -19.826 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.500 5.342 -20.662 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.991 5.331 -21.553 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.782 6.824 -23.190 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.934 7.580 -22.106 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.298 5.485 -22.053 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.124 4.673 -23.070 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.772 5.387 -24.617 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.517 6.600 -24.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.968 7.307 -24.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.757 8.171 -23.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.700 7.034 -22.851 1.00 0.00 H new ATOM 1446 N ASP A 95 2.011 7.426 -21.192 1.00 0.00 N ATOM 1447 CA ASP A 95 0.892 8.115 -21.756 1.00 0.00 C ATOM 1448 C ASP A 95 0.324 9.061 -20.754 1.00 0.00 C ATOM 1449 O ASP A 95 0.750 10.214 -20.791 1.00 0.00 O ATOM 1450 CB ASP A 95 -0.174 7.155 -22.310 1.00 0.00 C ATOM 1451 CG ASP A 95 -0.244 5.912 -21.435 1.00 0.00 C ATOM 1452 OD1 ASP A 95 0.656 5.030 -21.441 1.00 0.00 O ATOM 1453 OD2 ASP A 95 -1.153 5.784 -20.571 1.00 0.00 O ATOM 0 H ASP A 95 1.765 6.462 -20.967 1.00 0.00 H new ATOM 0 HA ASP A 95 1.246 8.687 -22.613 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.145 7.649 -22.336 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.070 6.877 -23.335 1.00 0.00 H new ATOM 1458 N GLY A 96 -0.624 8.684 -19.879 1.00 0.00 N ATOM 1459 CA GLY A 96 -1.210 9.426 -18.805 1.00 0.00 C ATOM 1460 C GLY A 96 -2.625 9.062 -18.514 1.00 0.00 C ATOM 1461 O GLY A 96 -3.502 9.923 -18.529 1.00 0.00 O ATOM 0 H GLY A 96 -1.025 7.748 -19.933 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.615 9.273 -17.905 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.161 10.489 -19.043 1.00 0.00 H new ATOM 1465 N ASN A 97 -2.905 7.788 -18.184 1.00 0.00 N ATOM 1466 CA ASN A 97 -4.116 7.257 -17.639 1.00 0.00 C ATOM 1467 C ASN A 97 -4.075 7.100 -16.158 1.00 0.00 C ATOM 1468 O ASN A 97 -5.132 7.148 -15.531 1.00 0.00 O ATOM 1469 CB ASN A 97 -4.572 5.965 -18.338 1.00 0.00 C ATOM 1470 CG ASN A 97 -3.551 4.853 -18.527 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -2.377 5.046 -18.214 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -4.056 3.632 -18.847 1.00 0.00 N ATOM 0 H ASN A 97 -2.207 7.055 -18.314 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.875 8.011 -17.847 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.408 5.557 -17.771 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.956 6.236 -19.322 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.451 2.811 -18.836 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.040 3.537 -19.098 1.00 0.00 H new ATOM 1479 N GLY A 98 -2.964 6.761 -15.481 1.00 0.00 N ATOM 1480 CA GLY A 98 -2.995 6.428 -14.091 1.00 0.00 C ATOM 1481 C GLY A 98 -2.522 5.030 -13.885 1.00 0.00 C ATOM 1482 O GLY A 98 -2.606 4.451 -12.803 1.00 0.00 O ATOM 0 H GLY A 98 -2.036 6.717 -15.901 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.365 7.119 -13.530 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.009 6.537 -13.706 1.00 0.00 H new ATOM 1486 N TYR A 99 -2.053 4.377 -14.963 1.00 0.00 N ATOM 1487 CA TYR A 99 -1.755 2.982 -15.061 1.00 0.00 C ATOM 1488 C TYR A 99 -0.443 2.798 -15.743 1.00 0.00 C ATOM 1489 O TYR A 99 -0.111 3.477 -16.714 1.00 0.00 O ATOM 1490 CB TYR A 99 -2.736 2.096 -15.848 1.00 0.00 C ATOM 1491 CG TYR A 99 -4.057 1.995 -15.167 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -4.981 3.010 -15.246 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -4.243 0.912 -14.340 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -6.163 2.900 -14.552 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -5.468 0.764 -13.733 1.00 0.00 C ATOM 1496 CZ TYR A 99 -6.391 1.781 -13.786 1.00 0.00 C ATOM 1497 OH TYR A 99 -7.571 1.633 -13.027 1.00 0.00 O ATOM 0 H TYR A 99 -1.867 4.867 -15.838 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.795 2.663 -14.020 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.873 2.505 -16.849 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.311 1.099 -15.967 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.781 3.885 -15.847 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.450 0.198 -14.172 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.904 3.684 -14.608 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.705 -0.153 -13.214 1.00 0.00 H new ATOM 0 HH TYR A 99 -7.550 0.775 -12.553 1.00 0.00 H new ATOM 1507 N ILE A 100 0.284 1.729 -15.372 1.00 0.00 N ATOM 1508 CA ILE A 100 1.572 1.301 -15.823 1.00 0.00 C ATOM 1509 C ILE A 100 1.520 -0.103 -16.320 1.00 0.00 C ATOM 1510 O ILE A 100 1.182 -0.947 -15.492 1.00 0.00 O ATOM 1511 CB ILE A 100 2.686 1.441 -14.829 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.808 2.921 -14.430 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.033 0.853 -15.283 1.00 0.00 C ATOM 1514 CD1 ILE A 100 3.396 2.987 -13.021 1.00 0.00 C ATOM 0 H ILE A 100 -0.081 1.088 -14.668 1.00 0.00 H new ATOM 0 HA ILE A 100 1.814 1.990 -16.632 1.00 0.00 H new ATOM 0 HB ILE A 100 2.423 0.836 -13.961 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.447 3.453 -15.134 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.831 3.404 -14.458 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.777 1.001 -14.500 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.918 -0.213 -15.477 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.360 1.354 -16.194 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.492 4.029 -12.715 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.737 2.465 -12.327 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.378 2.515 -13.014 1.00 0.00 H new ATOM 1526 N SER A 101 1.973 -0.411 -17.549 1.00 0.00 N ATOM 1527 CA SER A 101 2.197 -1.761 -17.963 1.00 0.00 C ATOM 1528 C SER A 101 3.645 -2.111 -17.954 1.00 0.00 C ATOM 1529 O SER A 101 4.558 -1.289 -17.882 1.00 0.00 O ATOM 1530 CB SER A 101 1.602 -1.982 -19.364 1.00 0.00 C ATOM 1531 OG SER A 101 2.215 -1.226 -20.397 1.00 0.00 O ATOM 0 H SER A 101 2.186 0.285 -18.263 1.00 0.00 H new ATOM 0 HA SER A 101 1.700 -2.417 -17.249 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.679 -3.040 -19.613 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.540 -1.737 -19.335 1.00 0.00 H new ATOM 0 HG SER A 101 1.779 -1.427 -21.252 1.00 0.00 H new ATOM 1537 N ALA A 102 4.019 -3.382 -18.185 1.00 0.00 N ATOM 1538 CA ALA A 102 5.379 -3.807 -18.300 1.00 0.00 C ATOM 1539 C ALA A 102 6.141 -3.046 -19.330 1.00 0.00 C ATOM 1540 O ALA A 102 7.299 -2.662 -19.168 1.00 0.00 O ATOM 1541 CB ALA A 102 5.295 -5.282 -18.728 1.00 0.00 C ATOM 0 H ALA A 102 3.348 -4.143 -18.296 1.00 0.00 H new ATOM 0 HA ALA A 102 5.903 -3.647 -17.358 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.301 -5.686 -18.839 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.757 -5.851 -17.970 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.767 -5.355 -19.679 1.00 0.00 H new ATOM 1547 N ALA A 103 5.609 -2.639 -20.496 1.00 0.00 N ATOM 1548 CA ALA A 103 6.182 -1.790 -21.494 1.00 0.00 C ATOM 1549 C ALA A 103 6.592 -0.417 -21.084 1.00 0.00 C ATOM 1550 O ALA A 103 7.625 0.089 -21.518 1.00 0.00 O ATOM 1551 CB ALA A 103 5.286 -1.822 -22.744 1.00 0.00 C ATOM 0 H ALA A 103 4.673 -2.940 -20.766 1.00 0.00 H new ATOM 0 HA ALA A 103 7.161 -2.214 -21.716 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.712 -1.178 -23.514 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.222 -2.843 -23.120 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.288 -1.467 -22.486 1.00 0.00 H new ATOM 1557 N GLU A 104 5.686 0.296 -20.392 1.00 0.00 N ATOM 1558 CA GLU A 104 6.071 1.515 -19.749 1.00 0.00 C ATOM 1559 C GLU A 104 7.071 1.383 -18.653 1.00 0.00 C ATOM 1560 O GLU A 104 8.020 2.154 -18.522 1.00 0.00 O ATOM 1561 CB GLU A 104 4.863 2.213 -19.103 1.00 0.00 C ATOM 1562 CG GLU A 104 3.727 2.350 -20.119 1.00 0.00 C ATOM 1563 CD GLU A 104 2.438 2.856 -19.488 1.00 0.00 C ATOM 1564 OE1 GLU A 104 2.418 4.046 -19.075 1.00 0.00 O ATOM 1565 OE2 GLU A 104 1.388 2.160 -19.506 1.00 0.00 O ATOM 0 H GLU A 104 4.706 0.037 -20.278 1.00 0.00 H new ATOM 0 HA GLU A 104 6.516 2.079 -20.569 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.522 1.641 -18.240 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.155 3.198 -18.738 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.033 3.034 -20.911 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.543 1.383 -20.586 1.00 0.00 H new ATOM 1572 N LEU A 105 7.141 0.262 -17.913 1.00 0.00 N ATOM 1573 CA LEU A 105 8.162 -0.023 -16.952 1.00 0.00 C ATOM 1574 C LEU A 105 9.429 -0.267 -17.698 1.00 0.00 C ATOM 1575 O LEU A 105 10.481 0.073 -17.159 1.00 0.00 O ATOM 1576 CB LEU A 105 7.751 -1.107 -15.942 1.00 0.00 C ATOM 1577 CG LEU A 105 8.745 -1.518 -14.843 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.079 -0.340 -13.912 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.307 -2.726 -13.997 1.00 0.00 C ATOM 0 H LEU A 105 6.450 -0.484 -17.989 1.00 0.00 H new ATOM 0 HA LEU A 105 8.329 0.831 -16.295 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.838 -0.770 -15.451 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.496 -2.004 -16.507 1.00 0.00 H new ATOM 0 HG LEU A 105 9.635 -1.827 -15.392 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.784 -0.668 -13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.524 0.468 -14.493 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.166 0.016 -13.434 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.070 -2.942 -13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.364 -2.499 -13.499 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.176 -3.594 -14.643 1.00 0.00 H new ATOM 1591 N ARG A 106 9.446 -0.805 -18.931 1.00 0.00 N ATOM 1592 CA ARG A 106 10.621 -0.994 -19.723 1.00 0.00 C ATOM 1593 C ARG A 106 11.312 0.216 -20.253 1.00 0.00 C ATOM 1594 O ARG A 106 12.518 0.452 -20.289 1.00 0.00 O ATOM 1595 CB ARG A 106 10.214 -1.907 -20.893 1.00 0.00 C ATOM 1596 CG ARG A 106 11.408 -2.663 -21.480 1.00 0.00 C ATOM 1597 CD ARG A 106 11.202 -3.463 -22.768 1.00 0.00 C ATOM 1598 NE ARG A 106 12.382 -4.312 -23.094 1.00 0.00 N ATOM 1599 CZ ARG A 106 12.480 -5.674 -23.103 1.00 0.00 C ATOM 1600 NH1 ARG A 106 11.584 -6.425 -22.399 1.00 0.00 N ATOM 1601 NH2 ARG A 106 13.446 -6.313 -23.824 1.00 0.00 N ATOM 0 H ARG A 106 8.597 -1.124 -19.398 1.00 0.00 H new ATOM 0 HA ARG A 106 11.368 -1.414 -19.049 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.466 -2.622 -20.550 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.747 -1.307 -21.674 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.202 -1.939 -21.663 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.773 -3.351 -20.717 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.319 -4.094 -22.665 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.010 -2.778 -23.593 1.00 0.00 H new ATOM 0 HE ARG A 106 13.232 -3.807 -23.345 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.843 -5.969 -21.867 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.656 -7.442 -22.405 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.115 -5.772 -24.372 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.499 -7.332 -23.815 1.00 0.00 H new ATOM 1615 N HIS A 107 10.490 1.248 -20.514 1.00 0.00 N ATOM 1616 CA HIS A 107 10.960 2.534 -20.925 1.00 0.00 C ATOM 1617 C HIS A 107 11.629 3.185 -19.763 1.00 0.00 C ATOM 1618 O HIS A 107 12.696 3.768 -19.946 1.00 0.00 O ATOM 1619 CB HIS A 107 9.781 3.375 -21.445 1.00 0.00 C ATOM 1620 CG HIS A 107 10.251 4.727 -21.893 1.00 0.00 C ATOM 1621 ND1 HIS A 107 10.914 4.981 -23.077 1.00 0.00 N ATOM 1622 CD2 HIS A 107 10.086 5.941 -21.303 1.00 0.00 C ATOM 1623 CE1 HIS A 107 11.061 6.331 -23.160 1.00 0.00 C ATOM 1624 NE2 HIS A 107 10.623 6.948 -22.079 1.00 0.00 N ATOM 0 H HIS A 107 9.475 1.187 -20.438 1.00 0.00 H new ATOM 0 HA HIS A 107 11.680 2.441 -21.738 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.298 2.859 -22.275 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.033 3.486 -20.660 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.599 6.097 -20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.487 6.839 -24.012 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.671 7.944 -21.865 1.00 0.00 H new ATOM 1632 N VAL A 108 11.075 3.059 -18.544 1.00 0.00 N ATOM 1633 CA VAL A 108 11.714 3.414 -17.315 1.00 0.00 C ATOM 1634 C VAL A 108 13.065 2.834 -17.074 1.00 0.00 C ATOM 1635 O VAL A 108 14.043 3.531 -16.810 1.00 0.00 O ATOM 1636 CB VAL A 108 10.883 3.284 -16.073 1.00 0.00 C ATOM 1637 CG1 VAL A 108 11.679 3.581 -14.790 1.00 0.00 C ATOM 1638 CG2 VAL A 108 9.542 4.032 -16.167 1.00 0.00 C ATOM 0 H VAL A 108 10.133 2.691 -18.409 1.00 0.00 H new ATOM 0 HA VAL A 108 11.852 4.478 -17.506 1.00 0.00 H new ATOM 0 HB VAL A 108 10.609 2.232 -15.997 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.027 3.471 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.511 2.882 -14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.063 4.600 -14.828 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.986 3.900 -15.239 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.728 5.093 -16.331 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.960 3.633 -16.998 1.00 0.00 H new ATOM 1648 N MET A 109 13.124 1.494 -17.175 1.00 0.00 N ATOM 1649 CA MET A 109 14.345 0.758 -17.063 1.00 0.00 C ATOM 1650 C MET A 109 15.357 1.076 -18.109 1.00 0.00 C ATOM 1651 O MET A 109 16.534 1.241 -17.790 1.00 0.00 O ATOM 1652 CB MET A 109 14.251 -0.744 -16.742 1.00 0.00 C ATOM 1653 CG MET A 109 13.284 -0.971 -15.579 1.00 0.00 C ATOM 1654 SD MET A 109 14.108 -0.391 -14.066 1.00 0.00 S ATOM 1655 CE MET A 109 13.114 -1.391 -12.922 1.00 0.00 C ATOM 0 H MET A 109 12.305 0.909 -17.338 1.00 0.00 H new ATOM 0 HA MET A 109 14.730 1.164 -16.128 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.911 -1.291 -17.621 1.00 0.00 H new ATOM 0 HB3 MET A 109 15.237 -1.132 -16.487 1.00 0.00 H new ATOM 0 HG2 MET A 109 12.353 -0.427 -15.742 1.00 0.00 H new ATOM 0 HG3 MET A 109 13.026 -2.027 -15.495 1.00 0.00 H new ATOM 0 HE1 MET A 109 13.218 -0.998 -11.911 1.00 0.00 H new ATOM 0 HE2 MET A 109 12.066 -1.352 -13.221 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.460 -2.424 -12.947 1.00 0.00 H new ATOM 1665 N THR A 110 14.968 1.180 -19.392 1.00 0.00 N ATOM 1666 CA THR A 110 15.804 1.653 -20.452 1.00 0.00 C ATOM 1667 C THR A 110 16.263 3.054 -20.236 1.00 0.00 C ATOM 1668 O THR A 110 17.413 3.314 -20.586 1.00 0.00 O ATOM 1669 CB THR A 110 15.164 1.541 -21.804 1.00 0.00 C ATOM 1670 OG1 THR A 110 14.942 0.159 -22.044 1.00 0.00 O ATOM 1671 CG2 THR A 110 16.168 1.910 -22.909 1.00 0.00 C ATOM 0 H THR A 110 14.031 0.924 -19.704 1.00 0.00 H new ATOM 0 HA THR A 110 16.671 0.993 -20.433 1.00 0.00 H new ATOM 0 HB THR A 110 14.277 2.174 -21.817 1.00 0.00 H new ATOM 0 HG1 THR A 110 14.136 -0.130 -21.568 1.00 0.00 H new ATOM 0 HG21 THR A 110 15.686 1.823 -23.883 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.509 2.935 -22.763 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.022 1.234 -22.865 1.00 0.00 H new ATOM 1679 N ASN A 111 15.506 4.072 -19.788 1.00 0.00 N ATOM 1680 CA ASN A 111 15.995 5.381 -19.486 1.00 0.00 C ATOM 1681 C ASN A 111 17.169 5.367 -18.568 1.00 0.00 C ATOM 1682 O ASN A 111 18.243 5.946 -18.723 1.00 0.00 O ATOM 1683 CB ASN A 111 14.927 6.286 -18.847 1.00 0.00 C ATOM 1684 CG ASN A 111 13.806 6.677 -19.799 1.00 0.00 C ATOM 1685 OD1 ASN A 111 13.943 6.597 -21.019 1.00 0.00 O ATOM 1686 ND2 ASN A 111 12.805 7.399 -19.228 1.00 0.00 N ATOM 0 H ASN A 111 14.503 3.977 -19.629 1.00 0.00 H new ATOM 0 HA ASN A 111 16.289 5.780 -20.457 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.498 5.774 -17.986 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.407 7.191 -18.474 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.136 7.897 -19.815 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.723 7.442 -18.212 1.00 0.00 H new ATOM 1693 N LEU A 112 16.997 4.668 -17.432 1.00 0.00 N ATOM 1694 CA LEU A 112 17.973 4.453 -16.409 1.00 0.00 C ATOM 1695 C LEU A 112 19.182 3.764 -16.943 1.00 0.00 C ATOM 1696 O LEU A 112 20.340 3.920 -16.561 1.00 0.00 O ATOM 1697 CB LEU A 112 17.336 3.739 -15.205 1.00 0.00 C ATOM 1698 CG LEU A 112 16.203 4.471 -14.467 1.00 0.00 C ATOM 1699 CD1 LEU A 112 15.718 3.454 -13.420 1.00 0.00 C ATOM 1700 CD2 LEU A 112 16.693 5.739 -13.746 1.00 0.00 C ATOM 0 H LEU A 112 16.107 4.220 -17.213 1.00 0.00 H new ATOM 0 HA LEU A 112 18.328 5.418 -16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.950 2.779 -15.548 1.00 0.00 H new ATOM 0 HB3 LEU A 112 18.125 3.525 -14.484 1.00 0.00 H new ATOM 0 HG LEU A 112 15.432 4.797 -15.165 1.00 0.00 H new ATOM 0 HD11 LEU A 112 14.904 3.889 -12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 112 15.364 2.554 -13.923 1.00 0.00 H new ATOM 0 HD13 LEU A 112 16.541 3.197 -12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 112 15.854 6.218 -13.241 1.00 0.00 H new ATOM 0 HD22 LEU A 112 17.452 5.470 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU A 112 17.120 6.429 -14.474 1.00 0.00 H new ATOM 1712 N GLY A 113 18.862 2.884 -17.910 1.00 0.00 N ATOM 1713 CA GLY A 113 19.788 2.100 -18.667 1.00 0.00 C ATOM 1714 C GLY A 113 19.973 0.688 -18.229 1.00 0.00 C ATOM 1715 O GLY A 113 20.992 0.092 -18.575 1.00 0.00 O ATOM 0 H GLY A 113 17.894 2.710 -18.179 1.00 0.00 H new ATOM 0 HA2 GLY A 113 19.462 2.095 -19.707 1.00 0.00 H new ATOM 0 HA3 GLY A 113 20.758 2.596 -18.640 1.00 0.00 H new ATOM 1719 N GLU A 114 19.073 0.202 -17.356 1.00 0.00 N ATOM 1720 CA GLU A 114 19.149 -1.136 -16.859 1.00 0.00 C ATOM 1721 C GLU A 114 18.764 -2.113 -17.916 1.00 0.00 C ATOM 1722 O GLU A 114 17.943 -1.781 -18.770 1.00 0.00 O ATOM 1723 CB GLU A 114 18.285 -1.279 -15.595 1.00 0.00 C ATOM 1724 CG GLU A 114 18.622 -0.447 -14.356 1.00 0.00 C ATOM 1725 CD GLU A 114 20.098 -0.423 -13.986 1.00 0.00 C ATOM 1726 OE1 GLU A 114 20.682 -1.540 -13.953 1.00 0.00 O ATOM 1727 OE2 GLU A 114 20.668 0.687 -13.812 1.00 0.00 O ATOM 0 H GLU A 114 18.287 0.741 -16.992 1.00 0.00 H new ATOM 0 HA GLU A 114 20.180 -1.357 -16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.257 -1.048 -15.874 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.308 -2.328 -15.300 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.286 0.577 -14.521 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.056 -0.836 -13.510 1.00 0.00 H new ATOM 1734 N LYS A 115 19.482 -3.250 -17.966 1.00 0.00 N ATOM 1735 CA LYS A 115 19.300 -4.217 -19.004 1.00 0.00 C ATOM 1736 C LYS A 115 18.536 -5.367 -18.443 1.00 0.00 C ATOM 1737 O LYS A 115 19.103 -6.303 -17.881 1.00 0.00 O ATOM 1738 CB LYS A 115 20.648 -4.671 -19.589 1.00 0.00 C ATOM 1739 CG LYS A 115 21.617 -3.652 -20.191 1.00 0.00 C ATOM 1740 CD LYS A 115 22.515 -3.027 -19.121 1.00 0.00 C ATOM 1741 CE LYS A 115 23.693 -2.195 -19.632 1.00 0.00 C ATOM 1742 NZ LYS A 115 23.200 -0.856 -20.022 1.00 0.00 N ATOM 0 H LYS A 115 20.195 -3.501 -17.281 1.00 0.00 H new ATOM 0 HA LYS A 115 18.740 -3.772 -19.827 1.00 0.00 H new ATOM 0 HB2 LYS A 115 21.183 -5.194 -18.796 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.431 -5.405 -20.365 1.00 0.00 H new ATOM 0 HG2 LYS A 115 22.235 -4.138 -20.946 1.00 0.00 H new ATOM 0 HG3 LYS A 115 21.053 -2.868 -20.697 1.00 0.00 H new ATOM 0 HD2 LYS A 115 21.899 -2.393 -18.483 1.00 0.00 H new ATOM 0 HD3 LYS A 115 22.907 -3.827 -18.492 1.00 0.00 H new ATOM 0 HE2 LYS A 115 24.455 -2.105 -18.858 1.00 0.00 H new ATOM 0 HE3 LYS A 115 24.161 -2.688 -20.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 23.992 -0.182 -20.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 22.779 -0.904 -20.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 22.481 -0.539 -19.341 1.00 0.00 H new ATOM 1756 N LEU A 116 17.194 -5.381 -18.533 1.00 0.00 N ATOM 1757 CA LEU A 116 16.360 -6.462 -18.107 1.00 0.00 C ATOM 1758 C LEU A 116 15.839 -7.332 -19.199 1.00 0.00 C ATOM 1759 O LEU A 116 15.842 -7.027 -20.390 1.00 0.00 O ATOM 1760 CB LEU A 116 15.199 -5.975 -17.225 1.00 0.00 C ATOM 1761 CG LEU A 116 15.618 -4.949 -16.158 1.00 0.00 C ATOM 1762 CD1 LEU A 116 14.346 -4.306 -15.582 1.00 0.00 C ATOM 1763 CD2 LEU A 116 16.585 -5.400 -15.050 1.00 0.00 C ATOM 0 H LEU A 116 16.665 -4.600 -18.922 1.00 0.00 H new ATOM 0 HA LEU A 116 17.030 -7.090 -17.520 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.433 -5.531 -17.861 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.745 -6.834 -16.731 1.00 0.00 H new ATOM 0 HG LEU A 116 16.242 -4.231 -16.690 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.620 -3.574 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.795 -3.810 -16.381 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.720 -5.077 -15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.783 -4.565 -14.378 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.138 -6.220 -14.488 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.521 -5.735 -15.498 1.00 0.00 H new ATOM 1775 N THR A 117 15.552 -8.587 -18.807 1.00 0.00 N ATOM 1776 CA THR A 117 14.794 -9.478 -19.630 1.00 0.00 C ATOM 1777 C THR A 117 13.343 -9.237 -19.395 1.00 0.00 C ATOM 1778 O THR A 117 12.894 -8.610 -18.437 1.00 0.00 O ATOM 1779 CB THR A 117 15.229 -10.911 -19.555 1.00 0.00 C ATOM 1780 OG1 THR A 117 14.988 -11.529 -18.299 1.00 0.00 O ATOM 1781 CG2 THR A 117 16.757 -10.993 -19.710 1.00 0.00 C ATOM 0 H THR A 117 15.847 -8.986 -17.916 1.00 0.00 H new ATOM 0 HA THR A 117 15.000 -9.250 -20.676 1.00 0.00 H new ATOM 0 HB THR A 117 14.659 -11.410 -20.339 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.458 -11.034 -17.595 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.073 -12.035 -19.655 1.00 0.00 H new ATOM 0 HG22 THR A 117 17.048 -10.576 -20.674 1.00 0.00 H new ATOM 0 HG23 THR A 117 17.235 -10.427 -18.911 1.00 0.00 H new ATOM 1789 N ASP A 118 12.502 -9.694 -20.341 1.00 0.00 N ATOM 1790 CA ASP A 118 11.088 -9.481 -20.316 1.00 0.00 C ATOM 1791 C ASP A 118 10.526 -10.133 -19.100 1.00 0.00 C ATOM 1792 O ASP A 118 9.588 -9.587 -18.522 1.00 0.00 O ATOM 1793 CB ASP A 118 10.504 -10.139 -21.578 1.00 0.00 C ATOM 1794 CG ASP A 118 10.871 -9.531 -22.924 1.00 0.00 C ATOM 1795 OD1 ASP A 118 12.050 -9.090 -22.979 1.00 0.00 O ATOM 1796 OD2 ASP A 118 10.043 -9.449 -23.870 1.00 0.00 O ATOM 0 H ASP A 118 12.817 -10.229 -21.150 1.00 0.00 H new ATOM 0 HA ASP A 118 10.845 -8.419 -20.293 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.814 -11.184 -21.586 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.418 -10.129 -21.490 1.00 0.00 H new ATOM 1801 N GLU A 119 11.116 -11.240 -18.616 1.00 0.00 N ATOM 1802 CA GLU A 119 10.631 -12.010 -17.513 1.00 0.00 C ATOM 1803 C GLU A 119 10.863 -11.426 -16.162 1.00 0.00 C ATOM 1804 O GLU A 119 10.187 -11.704 -15.173 1.00 0.00 O ATOM 1805 CB GLU A 119 11.256 -13.416 -17.506 1.00 0.00 C ATOM 1806 CG GLU A 119 10.973 -14.337 -18.694 1.00 0.00 C ATOM 1807 CD GLU A 119 11.428 -13.891 -20.077 1.00 0.00 C ATOM 1808 OE1 GLU A 119 12.611 -13.579 -20.377 1.00 0.00 O ATOM 1809 OE2 GLU A 119 10.516 -14.015 -20.937 1.00 0.00 O ATOM 0 H GLU A 119 11.976 -11.617 -19.015 1.00 0.00 H new ATOM 0 HA GLU A 119 9.554 -12.030 -17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.337 -13.300 -17.424 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.921 -13.925 -16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.438 -15.301 -18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.897 -14.505 -18.736 1.00 0.00 H new ATOM 1816 N GLU A 120 11.940 -10.624 -16.089 1.00 0.00 N ATOM 1817 CA GLU A 120 12.284 -9.866 -14.926 1.00 0.00 C ATOM 1818 C GLU A 120 11.319 -8.753 -14.703 1.00 0.00 C ATOM 1819 O GLU A 120 10.732 -8.568 -13.638 1.00 0.00 O ATOM 1820 CB GLU A 120 13.721 -9.357 -15.134 1.00 0.00 C ATOM 1821 CG GLU A 120 14.827 -10.380 -14.865 1.00 0.00 C ATOM 1822 CD GLU A 120 16.147 -9.729 -15.253 1.00 0.00 C ATOM 1823 OE1 GLU A 120 16.537 -9.782 -16.450 1.00 0.00 O ATOM 1824 OE2 GLU A 120 16.880 -9.318 -14.315 1.00 0.00 O ATOM 0 H GLU A 120 12.592 -10.499 -16.863 1.00 0.00 H new ATOM 0 HA GLU A 120 12.233 -10.482 -14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.818 -9.004 -16.161 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.881 -8.496 -14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.835 -10.670 -13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.661 -11.288 -15.445 1.00 0.00 H new ATOM 1831 N VAL A 121 11.125 -7.950 -15.765 1.00 0.00 N ATOM 1832 CA VAL A 121 10.153 -6.901 -15.789 1.00 0.00 C ATOM 1833 C VAL A 121 8.765 -7.366 -15.512 1.00 0.00 C ATOM 1834 O VAL A 121 8.052 -6.641 -14.820 1.00 0.00 O ATOM 1835 CB VAL A 121 10.263 -6.123 -17.067 1.00 0.00 C ATOM 1836 CG1 VAL A 121 9.244 -5.010 -17.361 1.00 0.00 C ATOM 1837 CG2 VAL A 121 11.661 -5.588 -17.419 1.00 0.00 C ATOM 0 H VAL A 121 11.659 -8.033 -16.630 1.00 0.00 H new ATOM 0 HA VAL A 121 10.381 -6.229 -14.961 1.00 0.00 H new ATOM 0 HB VAL A 121 10.002 -6.957 -17.718 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.472 -4.553 -18.324 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.240 -5.434 -17.389 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.297 -4.253 -16.579 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.615 -5.044 -18.362 1.00 0.00 H new ATOM 0 HG22 VAL A 121 12.004 -4.919 -16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.356 -6.422 -17.515 1.00 0.00 H new ATOM 1847 N ASP A 122 8.349 -8.578 -15.920 1.00 0.00 N ATOM 1848 CA ASP A 122 7.087 -9.156 -15.574 1.00 0.00 C ATOM 1849 C ASP A 122 6.889 -9.413 -14.119 1.00 0.00 C ATOM 1850 O ASP A 122 5.872 -9.102 -13.501 1.00 0.00 O ATOM 1851 CB ASP A 122 6.958 -10.462 -16.375 1.00 0.00 C ATOM 1852 CG ASP A 122 5.544 -11.012 -16.252 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.657 -10.398 -16.902 1.00 0.00 O ATOM 1854 OD2 ASP A 122 5.409 -12.017 -15.504 1.00 0.00 O ATOM 0 H ASP A 122 8.916 -9.181 -16.516 1.00 0.00 H new ATOM 0 HA ASP A 122 6.309 -8.434 -15.823 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.196 -10.280 -17.423 1.00 0.00 H new ATOM 0 HB3 ASP A 122 7.675 -11.196 -16.008 1.00 0.00 H new ATOM 1859 N GLU A 123 7.976 -9.893 -13.488 1.00 0.00 N ATOM 1860 CA GLU A 123 7.945 -9.963 -12.060 1.00 0.00 C ATOM 1861 C GLU A 123 7.861 -8.677 -11.313 1.00 0.00 C ATOM 1862 O GLU A 123 7.155 -8.549 -10.314 1.00 0.00 O ATOM 1863 CB GLU A 123 9.244 -10.656 -11.616 1.00 0.00 C ATOM 1864 CG GLU A 123 9.436 -11.014 -10.141 1.00 0.00 C ATOM 1865 CD GLU A 123 10.772 -11.657 -9.795 1.00 0.00 C ATOM 1866 OE1 GLU A 123 10.846 -12.881 -10.083 1.00 0.00 O ATOM 1867 OE2 GLU A 123 11.671 -10.972 -9.238 1.00 0.00 O ATOM 0 H GLU A 123 8.833 -10.217 -13.936 1.00 0.00 H new ATOM 0 HA GLU A 123 7.021 -10.490 -11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 123 9.337 -11.577 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.074 -10.013 -11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.323 -10.107 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.637 -11.692 -9.842 1.00 0.00 H new ATOM 1874 N MET A 124 8.393 -7.583 -11.887 1.00 0.00 N ATOM 1875 CA MET A 124 8.428 -6.299 -11.258 1.00 0.00 C ATOM 1876 C MET A 124 7.092 -5.639 -11.269 1.00 0.00 C ATOM 1877 O MET A 124 6.649 -5.127 -10.242 1.00 0.00 O ATOM 1878 CB MET A 124 9.485 -5.424 -11.952 1.00 0.00 C ATOM 1879 CG MET A 124 10.930 -5.903 -11.801 1.00 0.00 C ATOM 1880 SD MET A 124 12.088 -5.049 -12.913 1.00 0.00 S ATOM 1881 CE MET A 124 13.518 -5.972 -12.280 1.00 0.00 C ATOM 0 H MET A 124 8.812 -7.592 -12.817 1.00 0.00 H new ATOM 0 HA MET A 124 8.700 -6.432 -10.211 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.247 -5.369 -13.014 1.00 0.00 H new ATOM 0 HB3 MET A 124 9.412 -4.411 -11.556 1.00 0.00 H new ATOM 0 HG2 MET A 124 11.250 -5.753 -10.770 1.00 0.00 H new ATOM 0 HG3 MET A 124 10.973 -6.975 -11.996 1.00 0.00 H new ATOM 0 HE1 MET A 124 14.419 -5.648 -12.800 1.00 0.00 H new ATOM 0 HE2 MET A 124 13.628 -5.785 -11.212 1.00 0.00 H new ATOM 0 HE3 MET A 124 13.366 -7.038 -12.448 1.00 0.00 H new ATOM 1891 N ILE A 125 6.355 -5.813 -12.380 1.00 0.00 N ATOM 1892 CA ILE A 125 4.933 -5.668 -12.418 1.00 0.00 C ATOM 1893 C ILE A 125 4.180 -6.542 -11.474 1.00 0.00 C ATOM 1894 O ILE A 125 3.253 -6.095 -10.801 1.00 0.00 O ATOM 1895 CB ILE A 125 4.350 -5.898 -13.781 1.00 0.00 C ATOM 1896 CG1 ILE A 125 4.979 -4.988 -14.849 1.00 0.00 C ATOM 1897 CG2 ILE A 125 2.828 -5.692 -13.717 1.00 0.00 C ATOM 1898 CD1 ILE A 125 4.736 -3.482 -14.776 1.00 0.00 C ATOM 0 H ILE A 125 6.762 -6.063 -13.281 1.00 0.00 H new ATOM 0 HA ILE A 125 4.809 -4.630 -12.111 1.00 0.00 H new ATOM 0 HB ILE A 125 4.574 -6.922 -14.079 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.057 -5.149 -14.825 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.627 -5.331 -15.822 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.397 -5.857 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.395 -6.398 -13.009 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.612 -4.674 -13.393 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.250 -2.990 -15.602 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.667 -3.282 -14.843 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.118 -3.097 -13.831 1.00 0.00 H new ATOM 1910 N ARG A 126 4.433 -7.862 -11.417 1.00 0.00 N ATOM 1911 CA ARG A 126 3.803 -8.773 -10.512 1.00 0.00 C ATOM 1912 C ARG A 126 3.865 -8.298 -9.101 1.00 0.00 C ATOM 1913 O ARG A 126 2.918 -8.426 -8.325 1.00 0.00 O ATOM 1914 CB ARG A 126 4.065 -10.275 -10.714 1.00 0.00 C ATOM 1915 CG ARG A 126 3.001 -11.141 -10.037 1.00 0.00 C ATOM 1916 CD ARG A 126 3.171 -12.631 -10.340 1.00 0.00 C ATOM 1917 NE ARG A 126 1.991 -13.144 -9.590 1.00 0.00 N ATOM 1918 CZ ARG A 126 1.351 -14.318 -9.865 1.00 0.00 C ATOM 1919 NH1 ARG A 126 1.892 -15.264 -10.686 1.00 0.00 N ATOM 1920 NH2 ARG A 126 0.198 -14.565 -9.177 1.00 0.00 N ATOM 0 H ARG A 126 5.109 -8.315 -12.031 1.00 0.00 H new ATOM 0 HA ARG A 126 2.754 -8.739 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.089 -10.498 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.047 -10.528 -10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.045 -10.986 -8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.013 -10.818 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.125 -12.854 -11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.115 -13.033 -9.971 1.00 0.00 H new ATOM 0 HE ARG A 126 1.637 -12.579 -8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.803 -15.105 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.385 -16.130 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.145 -13.887 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.321 -15.427 -9.344 1.00 0.00 H new ATOM 1934 N GLU A 127 5.013 -7.767 -8.644 1.00 0.00 N ATOM 1935 CA GLU A 127 5.120 -7.466 -7.250 1.00 0.00 C ATOM 1936 C GLU A 127 4.431 -6.162 -7.038 1.00 0.00 C ATOM 1937 O GLU A 127 3.748 -5.841 -6.067 1.00 0.00 O ATOM 1938 CB GLU A 127 6.620 -7.532 -6.915 1.00 0.00 C ATOM 1939 CG GLU A 127 7.030 -7.331 -5.455 1.00 0.00 C ATOM 1940 CD GLU A 127 6.466 -8.373 -4.500 1.00 0.00 C ATOM 1941 OE1 GLU A 127 6.788 -9.575 -4.694 1.00 0.00 O ATOM 1942 OE2 GLU A 127 5.646 -8.016 -3.612 1.00 0.00 O ATOM 0 H GLU A 127 5.834 -7.553 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 127 4.632 -8.159 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.994 -8.504 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.131 -6.779 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.118 -7.345 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.704 -6.343 -5.130 1.00 0.00 H new ATOM 1949 N ALA A 128 4.497 -5.214 -7.990 1.00 0.00 N ATOM 1950 CA ALA A 128 3.698 -4.029 -7.945 1.00 0.00 C ATOM 1951 C ALA A 128 2.227 -4.236 -8.061 1.00 0.00 C ATOM 1952 O ALA A 128 1.462 -3.328 -7.740 1.00 0.00 O ATOM 1953 CB ALA A 128 4.235 -3.131 -9.072 1.00 0.00 C ATOM 0 H ALA A 128 5.113 -5.271 -8.801 1.00 0.00 H new ATOM 0 HA ALA A 128 3.791 -3.579 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.668 -2.201 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.287 -2.910 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.132 -3.645 -10.027 1.00 0.00 H new ATOM 1959 N ASP A 129 1.775 -5.408 -8.541 1.00 0.00 N ATOM 1960 CA ASP A 129 0.419 -5.724 -8.868 1.00 0.00 C ATOM 1961 C ASP A 129 -0.142 -6.425 -7.678 1.00 0.00 C ATOM 1962 O ASP A 129 0.199 -7.589 -7.473 1.00 0.00 O ATOM 1963 CB ASP A 129 0.319 -6.430 -10.231 1.00 0.00 C ATOM 1964 CG ASP A 129 -1.100 -6.842 -10.597 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -2.040 -6.004 -10.557 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -1.251 -8.048 -10.927 1.00 0.00 O ATOM 0 H ASP A 129 2.405 -6.192 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 129 -0.207 -4.849 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.708 -5.767 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.955 -7.315 -10.221 1.00 0.00 H new ATOM 1971 N ILE A 130 -1.015 -5.780 -6.884 1.00 0.00 N ATOM 1972 CA ILE A 130 -1.497 -6.360 -5.669 1.00 0.00 C ATOM 1973 C ILE A 130 -2.581 -7.323 -6.009 1.00 0.00 C ATOM 1974 O ILE A 130 -2.556 -8.434 -5.480 1.00 0.00 O ATOM 1975 CB ILE A 130 -1.939 -5.273 -4.734 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -0.697 -4.559 -4.174 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -2.787 -5.829 -3.577 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -1.019 -3.213 -3.527 1.00 0.00 C ATOM 0 H ILE A 130 -1.389 -4.852 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.714 -6.912 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.561 -4.571 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.216 -5.203 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.020 -4.405 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -3.088 -5.012 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.674 -6.318 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.200 -6.551 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -0.101 -2.761 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.473 -2.553 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.713 -3.364 -2.700 1.00 0.00 H new ATOM 1990 N ASP A 131 -3.523 -6.934 -6.887 1.00 0.00 N ATOM 1991 CA ASP A 131 -4.704 -7.623 -7.302 1.00 0.00 C ATOM 1992 C ASP A 131 -4.458 -8.783 -8.204 1.00 0.00 C ATOM 1993 O ASP A 131 -4.462 -9.921 -7.737 1.00 0.00 O ATOM 1994 CB ASP A 131 -5.717 -6.660 -7.944 1.00 0.00 C ATOM 1995 CG ASP A 131 -5.188 -5.582 -8.880 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -4.735 -4.496 -8.431 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -5.187 -5.901 -10.099 1.00 0.00 O ATOM 0 H ASP A 131 -3.444 -6.032 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.121 -8.036 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.440 -7.258 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.262 -6.165 -7.140 1.00 0.00 H new ATOM 2002 N GLY A 132 -4.136 -8.589 -9.495 1.00 0.00 N ATOM 2003 CA GLY A 132 -3.917 -9.682 -10.391 1.00 0.00 C ATOM 2004 C GLY A 132 -4.160 -9.241 -11.793 1.00 0.00 C ATOM 2005 O GLY A 132 -4.155 -10.067 -12.705 1.00 0.00 O ATOM 0 H GLY A 132 -4.027 -7.669 -9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -2.896 -10.050 -10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -4.581 -10.509 -10.140 1.00 0.00 H new ATOM 2009 N ASP A 133 -4.533 -7.975 -12.048 1.00 0.00 N ATOM 2010 CA ASP A 133 -4.846 -7.550 -13.377 1.00 0.00 C ATOM 2011 C ASP A 133 -3.602 -7.293 -14.156 1.00 0.00 C ATOM 2012 O ASP A 133 -3.642 -7.135 -15.375 1.00 0.00 O ATOM 2013 CB ASP A 133 -5.823 -6.367 -13.487 1.00 0.00 C ATOM 2014 CG ASP A 133 -5.355 -5.011 -12.980 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -4.170 -4.833 -12.589 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -6.232 -4.106 -12.975 1.00 0.00 O ATOM 0 H ASP A 133 -4.618 -7.248 -11.338 1.00 0.00 H new ATOM 0 HA ASP A 133 -5.390 -8.388 -13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -6.098 -6.256 -14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -6.732 -6.632 -12.946 1.00 0.00 H new ATOM 2021 N GLY A 134 -2.433 -7.349 -13.494 1.00 0.00 N ATOM 2022 CA GLY A 134 -1.195 -7.255 -14.203 1.00 0.00 C ATOM 2023 C GLY A 134 -0.872 -5.934 -14.811 1.00 0.00 C ATOM 2024 O GLY A 134 0.130 -5.786 -15.509 1.00 0.00 O ATOM 0 H GLY A 134 -2.344 -7.458 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.390 -7.521 -13.518 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.199 -8.003 -14.996 1.00 0.00 H new ATOM 2028 N GLN A 135 -1.546 -4.866 -14.348 1.00 0.00 N ATOM 2029 CA GLN A 135 -1.125 -3.530 -14.633 1.00 0.00 C ATOM 2030 C GLN A 135 -1.164 -2.826 -13.320 1.00 0.00 C ATOM 2031 O GLN A 135 -1.898 -3.124 -12.378 1.00 0.00 O ATOM 2032 CB GLN A 135 -1.999 -2.772 -15.646 1.00 0.00 C ATOM 2033 CG GLN A 135 -3.516 -2.819 -15.456 1.00 0.00 C ATOM 2034 CD GLN A 135 -4.190 -2.054 -16.586 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -3.566 -1.741 -17.600 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -5.530 -1.840 -16.507 1.00 0.00 N ATOM 0 H GLN A 135 -2.387 -4.929 -13.774 1.00 0.00 H new ATOM 0 HA GLN A 135 -0.141 -3.564 -15.100 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -1.693 -1.726 -15.636 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.774 -3.160 -16.639 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -3.861 -3.853 -15.446 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -3.787 -2.383 -14.494 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -6.039 -2.102 -15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -6.026 -1.417 -17.292 1.00 0.00 H new ATOM 2045 N VAL A 136 -0.233 -1.889 -13.068 1.00 0.00 N ATOM 2046 CA VAL A 136 -0.058 -1.249 -11.801 1.00 0.00 C ATOM 2047 C VAL A 136 -0.690 0.098 -11.891 1.00 0.00 C ATOM 2048 O VAL A 136 -0.465 0.789 -12.883 1.00 0.00 O ATOM 2049 CB VAL A 136 1.428 -1.077 -11.692 1.00 0.00 C ATOM 2050 CG1 VAL A 136 1.792 -0.425 -10.348 1.00 0.00 C ATOM 2051 CG2 VAL A 136 2.136 -2.395 -12.046 1.00 0.00 C ATOM 0 H VAL A 136 0.425 -1.564 -13.776 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.485 -1.798 -10.961 1.00 0.00 H new ATOM 0 HB VAL A 136 1.807 -0.370 -12.430 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.874 -0.306 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 136 1.315 0.552 -10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.446 -1.058 -9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.215 -2.262 -11.964 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.814 -3.177 -11.358 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.882 -2.682 -13.066 1.00 0.00 H new ATOM 2061 N ASN A 137 -1.561 0.407 -10.914 1.00 0.00 N ATOM 2062 CA ASN A 137 -2.125 1.720 -10.865 1.00 0.00 C ATOM 2063 C ASN A 137 -1.379 2.575 -9.899 1.00 0.00 C ATOM 2064 O ASN A 137 -0.282 2.299 -9.416 1.00 0.00 O ATOM 2065 CB ASN A 137 -3.631 1.655 -10.558 1.00 0.00 C ATOM 2066 CG ASN A 137 -3.995 1.084 -9.195 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -3.681 1.601 -8.124 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -4.809 -0.004 -9.249 1.00 0.00 N ATOM 0 H ASN A 137 -1.868 -0.230 -10.179 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.024 2.186 -11.845 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.044 2.661 -10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.116 1.053 -11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.175 -0.411 -8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.054 -0.413 -10.151 1.00 0.00 H new ATOM 2075 N TYR A 138 -1.963 3.753 -9.618 1.00 0.00 N ATOM 2076 CA TYR A 138 -1.356 4.742 -8.782 1.00 0.00 C ATOM 2077 C TYR A 138 -1.127 4.281 -7.383 1.00 0.00 C ATOM 2078 O TYR A 138 0.009 4.194 -6.920 1.00 0.00 O ATOM 2079 CB TYR A 138 -2.142 6.063 -8.822 1.00 0.00 C ATOM 2080 CG TYR A 138 -1.557 7.204 -8.064 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -0.519 7.893 -8.647 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -2.089 7.647 -6.876 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.081 8.968 -8.036 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -1.563 8.774 -6.288 1.00 0.00 C ATOM 2085 CZ TYR A 138 -0.498 9.418 -6.873 1.00 0.00 C ATOM 2086 OH TYR A 138 -0.155 10.657 -6.291 1.00 0.00 O ATOM 0 H TYR A 138 -2.877 4.025 -9.980 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.365 4.922 -9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -2.251 6.365 -9.864 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.145 5.876 -8.438 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.164 7.579 -9.617 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -2.908 7.118 -6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.963 9.436 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.986 9.152 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.678 10.790 -5.473 1.00 0.00 H new ATOM 2096 N GLU A 139 -2.165 3.819 -6.662 1.00 0.00 N ATOM 2097 CA GLU A 139 -2.120 3.238 -5.356 1.00 0.00 C ATOM 2098 C GLU A 139 -1.261 2.032 -5.187 1.00 0.00 C ATOM 2099 O GLU A 139 -0.613 1.976 -4.144 1.00 0.00 O ATOM 2100 CB GLU A 139 -3.522 2.857 -4.851 1.00 0.00 C ATOM 2101 CG GLU A 139 -3.569 2.466 -3.373 1.00 0.00 C ATOM 2102 CD GLU A 139 -5.000 2.774 -2.955 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -5.858 1.865 -3.112 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -5.283 3.875 -2.412 1.00 0.00 O ATOM 0 H GLU A 139 -3.117 3.856 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.668 4.041 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.196 3.698 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.898 2.026 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.330 1.412 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.850 3.038 -2.786 1.00 0.00 H new ATOM 2111 N GLU A 140 -1.223 1.124 -6.179 1.00 0.00 N ATOM 2112 CA GLU A 140 -0.258 0.069 -6.168 1.00 0.00 C ATOM 2113 C GLU A 140 1.166 0.497 -6.273 1.00 0.00 C ATOM 2114 O GLU A 140 2.041 0.084 -5.513 1.00 0.00 O ATOM 2115 CB GLU A 140 -0.547 -1.021 -7.214 1.00 0.00 C ATOM 2116 CG GLU A 140 -2.018 -1.203 -7.593 1.00 0.00 C ATOM 2117 CD GLU A 140 -2.245 -2.316 -8.605 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -2.040 -3.521 -8.299 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -2.659 -1.936 -9.733 1.00 0.00 O ATOM 0 H GLU A 140 -1.853 1.120 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.380 -0.348 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.016 -0.790 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.168 -1.971 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.594 -1.417 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.399 -0.267 -8.001 1.00 0.00 H new ATOM 2126 N PHE A 141 1.470 1.463 -7.157 1.00 0.00 N ATOM 2127 CA PHE A 141 2.811 1.958 -7.136 1.00 0.00 C ATOM 2128 C PHE A 141 3.207 2.658 -5.881 1.00 0.00 C ATOM 2129 O PHE A 141 4.338 2.547 -5.411 1.00 0.00 O ATOM 2130 CB PHE A 141 2.873 2.967 -8.295 1.00 0.00 C ATOM 2131 CG PHE A 141 4.250 3.492 -8.512 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.226 2.669 -9.021 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.574 4.767 -8.113 1.00 0.00 C ATOM 2134 CE1 PHE A 141 6.462 3.156 -9.376 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.794 5.283 -8.483 1.00 0.00 C ATOM 2136 CZ PHE A 141 6.715 4.483 -9.116 1.00 0.00 C ATOM 0 H PHE A 141 0.838 1.878 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 141 3.496 1.114 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.520 2.490 -9.209 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.198 3.797 -8.088 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.018 1.617 -9.145 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.885 5.351 -7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.204 2.523 -9.840 1.00 0.00 H new ATOM 0 HE2 PHE A 141 6.028 6.317 -8.276 1.00 0.00 H new ATOM 0 HZ PHE A 141 7.662 4.907 -9.417 1.00 0.00 H new ATOM 2146 N VAL A 142 2.330 3.428 -5.213 1.00 0.00 N ATOM 2147 CA VAL A 142 2.468 4.090 -3.953 1.00 0.00 C ATOM 2148 C VAL A 142 2.586 3.097 -2.848 1.00 0.00 C ATOM 2149 O VAL A 142 3.397 3.311 -1.949 1.00 0.00 O ATOM 2150 CB VAL A 142 1.323 5.047 -3.797 1.00 0.00 C ATOM 2151 CG1 VAL A 142 1.362 5.663 -2.388 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.386 6.082 -4.933 1.00 0.00 C ATOM 0 H VAL A 142 1.408 3.606 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 142 3.390 4.670 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 142 0.361 4.542 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.531 6.359 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.280 4.872 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.303 6.195 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.559 6.784 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.330 6.624 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.314 5.572 -5.894 1.00 0.00 H new ATOM 2162 N GLN A 143 1.925 1.927 -2.902 1.00 0.00 N ATOM 2163 CA GLN A 143 2.095 0.934 -1.888 1.00 0.00 C ATOM 2164 C GLN A 143 3.366 0.176 -2.062 1.00 0.00 C ATOM 2165 O GLN A 143 3.950 -0.213 -1.053 1.00 0.00 O ATOM 2166 CB GLN A 143 0.943 -0.084 -1.910 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.282 0.595 -1.294 1.00 0.00 C ATOM 2168 CD GLN A 143 -1.426 -0.373 -1.028 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -2.476 -0.407 -1.667 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.308 -1.160 0.076 1.00 0.00 N ATOM 0 H GLN A 143 1.275 1.669 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 143 2.112 1.471 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.732 -0.402 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.210 -0.978 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 143 0.007 1.074 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -0.628 1.384 -1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.446 -1.148 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.082 -1.762 0.358 1.00 0.00 H new ATOM 2179 N MET A 144 3.927 0.060 -3.279 1.00 0.00 N ATOM 2180 CA MET A 144 5.217 -0.454 -3.623 1.00 0.00 C ATOM 2181 C MET A 144 6.263 0.525 -3.214 1.00 0.00 C ATOM 2182 O MET A 144 7.262 0.052 -2.675 1.00 0.00 O ATOM 2183 CB MET A 144 5.248 -0.800 -5.121 1.00 0.00 C ATOM 2184 CG MET A 144 6.457 -1.705 -5.363 1.00 0.00 C ATOM 2185 SD MET A 144 7.149 -1.540 -7.036 1.00 0.00 S ATOM 2186 CE MET A 144 8.052 0.034 -6.950 1.00 0.00 C ATOM 0 H MET A 144 3.419 0.360 -4.111 1.00 0.00 H new ATOM 0 HA MET A 144 5.427 -1.379 -3.086 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.328 -1.304 -5.417 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.322 0.107 -5.722 1.00 0.00 H new ATOM 0 HG2 MET A 144 7.231 -1.471 -4.632 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.166 -2.742 -5.198 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.517 0.240 -7.914 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.359 0.838 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.823 -0.030 -6.182 1.00 0.00 H new ATOM 2196 N MET A 145 6.115 1.861 -3.263 1.00 0.00 N ATOM 2197 CA MET A 145 6.909 2.817 -2.557 1.00 0.00 C ATOM 2198 C MET A 145 6.978 2.720 -1.072 1.00 0.00 C ATOM 2199 O MET A 145 8.009 2.900 -0.425 1.00 0.00 O ATOM 2200 CB MET A 145 6.814 4.208 -3.206 1.00 0.00 C ATOM 2201 CG MET A 145 7.408 4.266 -4.615 1.00 0.00 C ATOM 2202 SD MET A 145 7.271 5.906 -5.386 1.00 0.00 S ATOM 2203 CE MET A 145 8.924 6.611 -5.124 1.00 0.00 C ATOM 0 H MET A 145 5.393 2.301 -3.834 1.00 0.00 H new ATOM 0 HA MET A 145 7.944 2.508 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.767 4.509 -3.249 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.328 4.931 -2.573 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.459 3.980 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.904 3.533 -5.245 1.00 0.00 H new ATOM 0 HE1 MET A 145 8.964 7.613 -5.552 1.00 0.00 H new ATOM 0 HE2 MET A 145 9.132 6.664 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 145 9.670 5.980 -5.607 1.00 0.00 H new