USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 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 144 MET CE :methyl -120:sc= -0.213 (180deg=-0.0982) USER MOD Set 1.2: A 145 MET CE :methyl 178:sc=-0.00415 (180deg=-0.0343) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 128:sc= 0.00396 (180deg=-0.14) USER MOD Set 2.2: A 107 HIS : no HE2:sc= -0.248 X(o=-0.24,f=-0.15) USER MOD Set 3.1: A 51 MET CE :methyl -109:sc= -0.0265 (180deg=-0.0321) USER MOD Set 3.2: A 71 MET CE :methyl -169:sc= 0 (180deg=-0.239) USER MOD Set 4.1: A 26 THR OG1 : rot -137:sc= 0.888 USER MOD Set 4.2: A 60 ASN : amide:sc= 0.167 K(o=1.8,f=-0.96) USER MOD Set 4.3: A 62 THR OG1 : rot -170:sc= 0.784 USER MOD Set 5.1: A 49 GLN : amide:sc= 0.399 K(o=-0.075,f=-0.8) USER MOD Set 5.2: A 53 ASN : amide:sc= -0.474 K(o=-0.075,f=-2.4) USER MOD Set 6.1: A 5 THR OG1 : rot -27:sc= 0.0495 USER MOD Set 6.2: A 8 GLN : amide:sc= 0 K(o=0.05,f=0.71) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 30 LYS NZ :NH3+ 136:sc= -0.0636 (180deg=-0.585) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -178:sc= 0 (180deg=-0.00835) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.116 X(o=0.12,f=-0.36) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -88:sc= 1.09 USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.673 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.0206 X(o=0.021,f=-0.02) 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 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.963 USER MOD Single : A 111 ASN : amide:sc= -0.0423 K(o=-0.042,f=-0.78) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 124 MET CE :methyl -132:sc= -1.5 (180deg=-5.47!) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 137 ASN : amide:sc= 1.06 K(o=1.1,f=-2.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0734 X(o=-0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.430 14.980 0.751 1.00 0.00 N ATOM 59 CA THR A 5 -11.904 16.213 0.204 1.00 0.00 C ATOM 60 C THR A 5 -13.190 15.883 -0.472 1.00 0.00 C ATOM 61 O THR A 5 -13.396 14.782 -0.981 1.00 0.00 O ATOM 62 CB THR A 5 -11.020 16.945 -0.763 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.565 16.080 -1.793 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.850 17.599 -0.009 1.00 0.00 C ATOM 0 HA THR A 5 -11.971 16.909 1.040 1.00 0.00 H new ATOM 0 HB THR A 5 -11.598 17.734 -1.244 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.545 15.158 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.212 18.129 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.239 18.303 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.268 16.829 0.498 1.00 0.00 H new ATOM 72 N GLU A 6 -14.132 16.842 -0.471 1.00 0.00 N ATOM 73 CA GLU A 6 -15.466 16.754 -0.978 1.00 0.00 C ATOM 74 C GLU A 6 -15.613 16.247 -2.372 1.00 0.00 C ATOM 75 O GLU A 6 -16.616 15.594 -2.652 1.00 0.00 O ATOM 76 CB GLU A 6 -16.031 18.185 -0.967 1.00 0.00 C ATOM 77 CG GLU A 6 -17.418 18.462 -1.550 1.00 0.00 C ATOM 78 CD GLU A 6 -18.550 18.178 -0.572 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.577 18.873 0.478 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.464 17.361 -0.862 1.00 0.00 O ATOM 0 H GLU A 6 -13.940 17.764 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.983 16.034 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.041 18.522 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.322 18.818 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.471 19.505 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.557 17.853 -2.443 1.00 0.00 H new ATOM 87 N GLU A 7 -14.607 16.485 -3.233 1.00 0.00 N ATOM 88 CA GLU A 7 -14.418 15.905 -4.526 1.00 0.00 C ATOM 89 C GLU A 7 -14.100 14.454 -4.634 1.00 0.00 C ATOM 90 O GLU A 7 -14.719 13.731 -5.413 1.00 0.00 O ATOM 91 CB GLU A 7 -13.497 16.813 -5.359 1.00 0.00 C ATOM 92 CG GLU A 7 -13.173 16.332 -6.775 1.00 0.00 C ATOM 93 CD GLU A 7 -12.342 17.349 -7.544 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.660 18.568 -7.585 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.319 16.913 -8.136 1.00 0.00 O ATOM 0 H GLU A 7 -13.861 17.142 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.420 15.873 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.959 17.798 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.560 16.939 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.632 15.387 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.101 16.139 -7.314 1.00 0.00 H new ATOM 102 N GLN A 8 -13.208 13.901 -3.791 1.00 0.00 N ATOM 103 CA GLN A 8 -13.045 12.506 -3.526 1.00 0.00 C ATOM 104 C GLN A 8 -14.345 11.927 -3.084 1.00 0.00 C ATOM 105 O GLN A 8 -14.730 10.818 -3.452 1.00 0.00 O ATOM 106 CB GLN A 8 -11.966 12.162 -2.486 1.00 0.00 C ATOM 107 CG GLN A 8 -10.511 12.532 -2.780 1.00 0.00 C ATOM 108 CD GLN A 8 -9.612 12.234 -1.588 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.638 12.803 -0.498 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.693 11.239 -1.711 1.00 0.00 N ATOM 0 H GLN A 8 -12.554 14.473 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.705 12.072 -4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.246 12.644 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.004 11.086 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.161 11.976 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.446 13.591 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.614 10.723 -2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.082 11.009 -0.927 1.00 0.00 H new ATOM 119 N ILE A 9 -15.149 12.543 -2.200 1.00 0.00 N ATOM 120 CA ILE A 9 -16.438 12.122 -1.745 1.00 0.00 C ATOM 121 C ILE A 9 -17.453 12.157 -2.835 1.00 0.00 C ATOM 122 O ILE A 9 -18.241 11.222 -2.968 1.00 0.00 O ATOM 123 CB ILE A 9 -16.944 12.680 -0.448 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.809 12.633 0.588 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.214 11.921 -0.027 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.103 13.181 1.984 1.00 0.00 C ATOM 0 H ILE A 9 -14.868 13.420 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.261 11.083 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.236 13.726 -0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.493 11.595 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.961 13.184 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.584 12.325 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.978 12.036 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -17.981 10.863 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.214 13.084 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.382 14.232 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.923 12.618 2.431 1.00 0.00 H new ATOM 138 N ALA A 10 -17.322 13.096 -3.790 1.00 0.00 N ATOM 139 CA ALA A 10 -18.227 13.193 -4.893 1.00 0.00 C ATOM 140 C ALA A 10 -18.027 12.084 -5.869 1.00 0.00 C ATOM 141 O ALA A 10 -18.977 11.544 -6.432 1.00 0.00 O ATOM 142 CB ALA A 10 -17.970 14.538 -5.592 1.00 0.00 C ATOM 0 H ALA A 10 -16.580 13.796 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.250 13.124 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.647 14.642 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.142 15.352 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.939 14.574 -5.944 1.00 0.00 H new ATOM 148 N GLU A 11 -16.762 11.638 -5.973 1.00 0.00 N ATOM 149 CA GLU A 11 -16.448 10.408 -6.631 1.00 0.00 C ATOM 150 C GLU A 11 -16.902 9.134 -6.005 1.00 0.00 C ATOM 151 O GLU A 11 -17.648 8.349 -6.589 1.00 0.00 O ATOM 152 CB GLU A 11 -14.934 10.402 -6.900 1.00 0.00 C ATOM 153 CG GLU A 11 -14.501 11.459 -7.918 1.00 0.00 C ATOM 154 CD GLU A 11 -13.067 11.502 -8.426 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.179 10.678 -8.079 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.762 12.373 -9.283 1.00 0.00 O ATOM 0 H GLU A 11 -15.952 12.133 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.044 10.406 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.404 10.570 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.639 9.417 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.147 11.350 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.716 12.434 -7.481 1.00 0.00 H new ATOM 163 N PHE A 12 -16.529 8.859 -4.743 1.00 0.00 N ATOM 164 CA PHE A 12 -16.982 7.769 -3.936 1.00 0.00 C ATOM 165 C PHE A 12 -18.467 7.667 -3.858 1.00 0.00 C ATOM 166 O PHE A 12 -18.949 6.543 -3.987 1.00 0.00 O ATOM 167 CB PHE A 12 -16.440 7.914 -2.504 1.00 0.00 C ATOM 168 CG PHE A 12 -14.955 7.856 -2.399 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.284 7.001 -3.241 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.191 8.618 -1.546 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.911 6.968 -3.186 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.826 8.768 -1.610 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.193 7.871 -2.437 1.00 0.00 C ATOM 0 H PHE A 12 -15.857 9.446 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.607 6.865 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.784 8.863 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.867 7.125 -1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.824 6.369 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.708 9.144 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.381 6.212 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.295 9.528 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.115 7.875 -2.500 1.00 0.00 H new ATOM 183 N LYS A 13 -19.265 8.748 -3.899 1.00 0.00 N ATOM 184 CA LYS A 13 -20.688 8.651 -3.794 1.00 0.00 C ATOM 185 C LYS A 13 -21.311 8.120 -5.039 1.00 0.00 C ATOM 186 O LYS A 13 -22.195 7.268 -4.958 1.00 0.00 O ATOM 187 CB LYS A 13 -21.176 10.068 -3.449 1.00 0.00 C ATOM 188 CG LYS A 13 -22.703 10.128 -3.525 1.00 0.00 C ATOM 189 CD LYS A 13 -23.120 11.446 -2.870 1.00 0.00 C ATOM 190 CE LYS A 13 -24.628 11.699 -2.934 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.852 13.120 -2.585 1.00 0.00 N ATOM 0 H LYS A 13 -18.919 9.702 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.980 7.938 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.842 10.343 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.741 10.790 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.042 10.085 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.151 9.279 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.802 11.443 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.599 12.269 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.012 11.483 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.157 11.045 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.870 13.329 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.492 13.303 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.351 13.727 -3.265 1.00 0.00 H new ATOM 205 N GLU A 14 -20.809 8.552 -6.210 1.00 0.00 N ATOM 206 CA GLU A 14 -21.265 7.964 -7.431 1.00 0.00 C ATOM 207 C GLU A 14 -20.811 6.557 -7.615 1.00 0.00 C ATOM 208 O GLU A 14 -21.602 5.722 -8.051 1.00 0.00 O ATOM 209 CB GLU A 14 -20.801 8.723 -8.685 1.00 0.00 C ATOM 210 CG GLU A 14 -21.512 10.075 -8.780 1.00 0.00 C ATOM 211 CD GLU A 14 -21.489 10.895 -10.061 1.00 0.00 C ATOM 212 OE1 GLU A 14 -20.464 11.615 -10.194 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.353 10.820 -10.975 1.00 0.00 O ATOM 0 H GLU A 14 -20.108 9.286 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.349 8.010 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.722 8.873 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.011 8.131 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.559 9.900 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.100 10.706 -7.992 1.00 0.00 H new ATOM 220 N ALA A 15 -19.554 6.235 -7.258 1.00 0.00 N ATOM 221 CA ALA A 15 -19.026 4.907 -7.241 1.00 0.00 C ATOM 222 C ALA A 15 -19.753 3.931 -6.382 1.00 0.00 C ATOM 223 O ALA A 15 -19.933 2.773 -6.756 1.00 0.00 O ATOM 224 CB ALA A 15 -17.540 5.023 -6.859 1.00 0.00 C ATOM 0 H ALA A 15 -18.873 6.937 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.158 4.480 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.092 4.029 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.021 5.636 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.452 5.486 -5.876 1.00 0.00 H new ATOM 230 N PHE A 16 -20.141 4.334 -5.159 1.00 0.00 N ATOM 231 CA PHE A 16 -20.771 3.519 -4.167 1.00 0.00 C ATOM 232 C PHE A 16 -22.097 3.079 -4.686 1.00 0.00 C ATOM 233 O PHE A 16 -22.483 1.913 -4.620 1.00 0.00 O ATOM 234 CB PHE A 16 -21.001 4.342 -2.889 1.00 0.00 C ATOM 235 CG PHE A 16 -21.555 3.503 -1.789 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.651 2.785 -1.042 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.854 3.580 -1.346 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.031 2.050 0.056 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.248 2.859 -0.243 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.325 2.167 0.505 1.00 0.00 C ATOM 0 H PHE A 16 -20.005 5.294 -4.843 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.137 2.661 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.060 4.788 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.686 5.162 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.609 2.799 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.565 4.207 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.330 1.397 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.291 2.836 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.616 1.717 1.443 1.00 0.00 H new ATOM 250 N SER A 17 -22.861 4.024 -5.262 1.00 0.00 N ATOM 251 CA SER A 17 -24.183 3.815 -5.767 1.00 0.00 C ATOM 252 C SER A 17 -24.109 2.915 -6.952 1.00 0.00 C ATOM 253 O SER A 17 -25.004 2.147 -7.302 1.00 0.00 O ATOM 254 CB SER A 17 -24.842 5.178 -6.035 1.00 0.00 C ATOM 255 OG SER A 17 -26.178 5.032 -6.491 1.00 0.00 O ATOM 0 H SER A 17 -22.539 4.985 -5.382 1.00 0.00 H new ATOM 0 HA SER A 17 -24.823 3.312 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.832 5.774 -5.122 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.261 5.724 -6.778 1.00 0.00 H new ATOM 0 HG SER A 17 -26.568 5.917 -6.650 1.00 0.00 H new ATOM 261 N LEU A 18 -23.044 3.050 -7.762 1.00 0.00 N ATOM 262 CA LEU A 18 -22.683 2.161 -8.822 1.00 0.00 C ATOM 263 C LEU A 18 -22.369 0.771 -8.386 1.00 0.00 C ATOM 264 O LEU A 18 -22.785 -0.136 -9.106 1.00 0.00 O ATOM 265 CB LEU A 18 -21.548 2.735 -9.686 1.00 0.00 C ATOM 266 CG LEU A 18 -21.577 2.147 -11.107 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.763 2.665 -11.939 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.291 2.601 -11.818 1.00 0.00 C ATOM 0 H LEU A 18 -22.394 3.831 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.583 2.080 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.640 3.820 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.587 2.518 -9.219 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.667 1.064 -11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.734 2.217 -12.932 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.698 2.396 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -22.699 3.749 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.276 2.202 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.261 3.690 -11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.423 2.233 -11.270 1.00 0.00 H new ATOM 280 N PHE A 19 -21.698 0.534 -7.245 1.00 0.00 N ATOM 281 CA PHE A 19 -21.513 -0.810 -6.792 1.00 0.00 C ATOM 282 C PHE A 19 -22.687 -1.387 -6.080 1.00 0.00 C ATOM 283 O PHE A 19 -22.790 -2.613 -6.051 1.00 0.00 O ATOM 284 CB PHE A 19 -20.327 -0.880 -5.815 1.00 0.00 C ATOM 285 CG PHE A 19 -19.031 -0.416 -6.384 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.620 -0.367 -7.695 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.185 0.000 -5.382 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.380 0.163 -7.962 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.912 0.439 -5.657 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.488 0.479 -6.964 1.00 0.00 C ATOM 0 H PHE A 19 -21.292 1.254 -6.648 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.346 -1.388 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.560 -0.278 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.213 -1.909 -5.475 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.252 -0.734 -8.491 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.528 -0.019 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.097 0.337 -8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.254 0.748 -4.858 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.471 0.754 -7.203 1.00 0.00 H new ATOM 300 N ASP A 20 -23.449 -0.559 -5.343 1.00 0.00 N ATOM 301 CA ASP A 20 -24.765 -0.965 -4.960 1.00 0.00 C ATOM 302 C ASP A 20 -25.695 -1.468 -6.009 1.00 0.00 C ATOM 303 O ASP A 20 -26.199 -0.780 -6.896 1.00 0.00 O ATOM 304 CB ASP A 20 -25.408 0.153 -4.122 1.00 0.00 C ATOM 305 CG ASP A 20 -26.613 -0.237 -3.277 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.914 -1.460 -3.321 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.285 0.554 -2.564 1.00 0.00 O ATOM 0 H ASP A 20 -23.165 0.366 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.600 -1.875 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.646 0.564 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.710 0.954 -4.797 1.00 0.00 H new ATOM 312 N LYS A 21 -25.873 -2.801 -6.001 1.00 0.00 N ATOM 313 CA LYS A 21 -26.752 -3.579 -6.818 1.00 0.00 C ATOM 314 C LYS A 21 -28.190 -3.347 -6.507 1.00 0.00 C ATOM 315 O LYS A 21 -29.018 -3.229 -7.409 1.00 0.00 O ATOM 316 CB LYS A 21 -26.282 -5.036 -6.971 1.00 0.00 C ATOM 317 CG LYS A 21 -27.011 -5.625 -8.180 1.00 0.00 C ATOM 318 CD LYS A 21 -27.106 -7.152 -8.152 1.00 0.00 C ATOM 319 CE LYS A 21 -27.718 -7.585 -9.485 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.637 -9.034 -9.775 1.00 0.00 N ATOM 0 H LYS A 21 -25.347 -3.391 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.684 -3.208 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.202 -5.078 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.506 -5.608 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.017 -5.207 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.496 -5.318 -9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.120 -7.598 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.723 -7.485 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.766 -7.286 -9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.220 -7.042 -10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.077 -9.229 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.640 -9.328 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -28.137 -9.565 -9.034 1.00 0.00 H new ATOM 334 N ASP A 22 -28.544 -3.170 -5.222 1.00 0.00 N ATOM 335 CA ASP A 22 -29.917 -3.067 -4.838 1.00 0.00 C ATOM 336 C ASP A 22 -30.381 -1.655 -4.939 1.00 0.00 C ATOM 337 O ASP A 22 -31.465 -1.383 -5.452 1.00 0.00 O ATOM 338 CB ASP A 22 -30.176 -3.559 -3.404 1.00 0.00 C ATOM 339 CG ASP A 22 -29.377 -4.826 -3.134 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.149 -4.626 -2.935 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.922 -5.957 -3.235 1.00 0.00 O ATOM 0 H ASP A 22 -27.881 -3.098 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.471 -3.707 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.897 -2.785 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.239 -3.754 -3.264 1.00 0.00 H new ATOM 346 N GLY A 23 -29.571 -0.742 -4.373 1.00 0.00 N ATOM 347 CA GLY A 23 -29.971 0.618 -4.185 1.00 0.00 C ATOM 348 C GLY A 23 -30.543 0.802 -2.822 1.00 0.00 C ATOM 349 O GLY A 23 -31.467 1.590 -2.631 1.00 0.00 O ATOM 0 H GLY A 23 -28.629 -0.950 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.115 1.279 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.709 0.895 -4.938 1.00 0.00 H new ATOM 353 N ASP A 24 -29.972 0.148 -1.794 1.00 0.00 N ATOM 354 CA ASP A 24 -30.493 0.216 -0.464 1.00 0.00 C ATOM 355 C ASP A 24 -29.620 1.003 0.451 1.00 0.00 C ATOM 356 O ASP A 24 -30.072 1.354 1.540 1.00 0.00 O ATOM 357 CB ASP A 24 -30.699 -1.237 -0.003 1.00 0.00 C ATOM 358 CG ASP A 24 -29.499 -2.171 0.053 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.474 -1.937 -0.641 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.667 -3.218 0.734 1.00 0.00 O ATOM 0 H ASP A 24 -29.140 -0.434 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.441 0.754 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.139 -1.207 0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.438 -1.690 -0.664 1.00 0.00 H new ATOM 365 N GLY A 25 -28.391 1.365 0.041 1.00 0.00 N ATOM 366 CA GLY A 25 -27.469 2.185 0.764 1.00 0.00 C ATOM 367 C GLY A 25 -26.409 1.370 1.423 1.00 0.00 C ATOM 368 O GLY A 25 -25.546 1.921 2.104 1.00 0.00 O ATOM 0 H GLY A 25 -28.017 1.063 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.008 2.901 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.007 2.761 1.517 1.00 0.00 H new ATOM 372 N THR A 26 -26.334 0.037 1.263 1.00 0.00 N ATOM 373 CA THR A 26 -25.251 -0.656 1.890 1.00 0.00 C ATOM 374 C THR A 26 -24.748 -1.693 0.946 1.00 0.00 C ATOM 375 O THR A 26 -25.503 -2.154 0.092 1.00 0.00 O ATOM 376 CB THR A 26 -25.525 -1.155 3.278 1.00 0.00 C ATOM 377 OG1 THR A 26 -24.394 -1.508 4.060 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.570 -2.271 3.444 1.00 0.00 C ATOM 0 H THR A 26 -26.986 -0.538 0.729 1.00 0.00 H new ATOM 0 HA THR A 26 -24.455 0.063 2.084 1.00 0.00 H new ATOM 0 HB THR A 26 -25.957 -0.231 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 26 -24.573 -2.347 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.662 -2.529 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 26 -27.534 -1.926 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.256 -3.150 2.881 1.00 0.00 H new ATOM 386 N ILE A 27 -23.434 -1.979 0.936 1.00 0.00 N ATOM 387 CA ILE A 27 -22.770 -2.966 0.142 1.00 0.00 C ATOM 388 C ILE A 27 -22.418 -4.192 0.912 1.00 0.00 C ATOM 389 O ILE A 27 -21.815 -4.025 1.971 1.00 0.00 O ATOM 390 CB ILE A 27 -21.688 -2.573 -0.820 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.397 -1.997 -0.214 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.292 -1.428 -1.651 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.280 -1.708 -1.216 1.00 0.00 C ATOM 0 H ILE A 27 -22.781 -1.475 1.536 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.575 -3.177 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.397 -3.482 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.641 -1.073 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.021 -2.697 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.560 -1.083 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -23.182 -1.785 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.563 -0.604 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.414 -1.305 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.999 -2.631 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.629 -0.982 -1.950 1.00 0.00 H new ATOM 405 N THR A 28 -22.812 -5.396 0.459 1.00 0.00 N ATOM 406 CA THR A 28 -22.579 -6.709 0.976 1.00 0.00 C ATOM 407 C THR A 28 -21.289 -7.246 0.461 1.00 0.00 C ATOM 408 O THR A 28 -20.585 -6.611 -0.323 1.00 0.00 O ATOM 409 CB THR A 28 -23.751 -7.616 0.744 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.981 -7.895 -0.629 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.057 -6.876 1.076 1.00 0.00 C ATOM 0 H THR A 28 -23.373 -5.449 -0.391 1.00 0.00 H new ATOM 0 HA THR A 28 -22.481 -6.650 2.060 1.00 0.00 H new ATOM 0 HB THR A 28 -23.522 -8.501 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.754 -8.490 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.905 -7.540 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.044 -6.565 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.150 -5.998 0.437 1.00 0.00 H new ATOM 419 N THR A 29 -20.922 -8.463 0.902 1.00 0.00 N ATOM 420 CA THR A 29 -19.914 -9.366 0.438 1.00 0.00 C ATOM 421 C THR A 29 -20.087 -9.721 -0.998 1.00 0.00 C ATOM 422 O THR A 29 -19.114 -9.585 -1.739 1.00 0.00 O ATOM 423 CB THR A 29 -19.696 -10.675 1.137 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.017 -11.163 1.318 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.072 -10.596 2.541 1.00 0.00 C ATOM 0 H THR A 29 -21.408 -8.867 1.702 1.00 0.00 H new ATOM 0 HA THR A 29 -19.044 -8.748 0.662 1.00 0.00 H new ATOM 0 HB THR A 29 -19.004 -11.274 0.545 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.986 -12.030 1.773 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.962 -11.601 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.093 -10.121 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.718 -10.009 3.194 1.00 0.00 H new ATOM 433 N LYS A 30 -21.292 -10.133 -1.432 1.00 0.00 N ATOM 434 CA LYS A 30 -21.605 -10.399 -2.802 1.00 0.00 C ATOM 435 C LYS A 30 -21.505 -9.268 -3.767 1.00 0.00 C ATOM 436 O LYS A 30 -21.329 -9.491 -4.964 1.00 0.00 O ATOM 437 CB LYS A 30 -23.016 -11.006 -2.883 1.00 0.00 C ATOM 438 CG LYS A 30 -23.077 -12.421 -2.303 1.00 0.00 C ATOM 439 CD LYS A 30 -24.478 -13.010 -2.486 1.00 0.00 C ATOM 440 CE LYS A 30 -24.718 -14.408 -1.913 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.480 -14.238 -0.462 1.00 0.00 N ATOM 0 H LYS A 30 -22.080 -10.287 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.820 -11.084 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.715 -10.366 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.340 -11.029 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.341 -13.056 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.820 -12.399 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.196 -12.328 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.698 -13.038 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.731 -14.755 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.038 -15.141 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.224 -14.731 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.553 -14.637 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.496 -13.226 -0.224 1.00 0.00 H new ATOM 455 N GLU A 31 -21.494 -8.028 -3.247 1.00 0.00 N ATOM 456 CA GLU A 31 -21.311 -6.833 -4.010 1.00 0.00 C ATOM 457 C GLU A 31 -19.877 -6.429 -4.048 1.00 0.00 C ATOM 458 O GLU A 31 -19.438 -5.967 -5.100 1.00 0.00 O ATOM 459 CB GLU A 31 -22.257 -5.706 -3.559 1.00 0.00 C ATOM 460 CG GLU A 31 -23.743 -6.059 -3.652 1.00 0.00 C ATOM 461 CD GLU A 31 -24.667 -5.014 -3.042 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.914 -4.930 -1.809 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.085 -4.097 -3.798 1.00 0.00 O ATOM 0 H GLU A 31 -21.618 -7.851 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.593 -7.048 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.022 -5.441 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.066 -4.822 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.008 -6.196 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.911 -7.013 -3.153 1.00 0.00 H new ATOM 470 N LEU A 32 -19.095 -6.599 -2.968 1.00 0.00 N ATOM 471 CA LEU A 32 -17.685 -6.368 -3.029 1.00 0.00 C ATOM 472 C LEU A 32 -16.954 -7.467 -3.719 1.00 0.00 C ATOM 473 O LEU A 32 -15.929 -7.351 -4.390 1.00 0.00 O ATOM 474 CB LEU A 32 -17.183 -6.029 -1.615 1.00 0.00 C ATOM 475 CG LEU A 32 -15.817 -5.328 -1.538 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.709 -3.918 -2.145 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.427 -5.152 -0.061 1.00 0.00 C ATOM 0 H LEU A 32 -19.437 -6.896 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.471 -5.507 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.924 -5.393 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.129 -6.952 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.174 -5.983 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.692 -3.545 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.953 -3.959 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.405 -3.250 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.459 -4.655 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.179 -4.547 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.366 -6.129 0.418 1.00 0.00 H new ATOM 489 N GLY A 33 -17.570 -8.662 -3.712 1.00 0.00 N ATOM 490 CA GLY A 33 -17.479 -9.755 -4.630 1.00 0.00 C ATOM 491 C GLY A 33 -17.517 -9.315 -6.053 1.00 0.00 C ATOM 492 O GLY A 33 -16.546 -9.493 -6.785 1.00 0.00 O ATOM 0 H GLY A 33 -18.219 -8.887 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.554 -10.301 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.300 -10.448 -4.446 1.00 0.00 H new ATOM 496 N THR A 34 -18.565 -8.626 -6.540 1.00 0.00 N ATOM 497 CA THR A 34 -18.660 -8.176 -7.893 1.00 0.00 C ATOM 498 C THR A 34 -17.680 -7.137 -8.318 1.00 0.00 C ATOM 499 O THR A 34 -17.186 -7.198 -9.443 1.00 0.00 O ATOM 500 CB THR A 34 -20.066 -7.821 -8.277 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.971 -8.730 -7.668 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.269 -7.860 -9.801 1.00 0.00 C ATOM 0 H THR A 34 -19.374 -8.374 -5.972 1.00 0.00 H new ATOM 0 HA THR A 34 -18.358 -9.052 -8.467 1.00 0.00 H new ATOM 0 HB THR A 34 -20.255 -6.804 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.889 -8.495 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.300 -7.597 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.595 -7.148 -10.276 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.057 -8.863 -10.171 1.00 0.00 H new ATOM 510 N VAL A 35 -17.263 -6.262 -7.386 1.00 0.00 N ATOM 511 CA VAL A 35 -16.269 -5.247 -7.548 1.00 0.00 C ATOM 512 C VAL A 35 -14.926 -5.800 -7.879 1.00 0.00 C ATOM 513 O VAL A 35 -14.291 -5.524 -8.895 1.00 0.00 O ATOM 514 CB VAL A 35 -16.100 -4.331 -6.372 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.889 -3.384 -6.410 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.362 -3.505 -6.069 1.00 0.00 C ATOM 0 H VAL A 35 -17.653 -6.266 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.663 -4.666 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.909 -5.043 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.876 -2.774 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.971 -3.969 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.961 -2.737 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.178 -2.862 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.611 -2.891 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.192 -4.176 -5.849 1.00 0.00 H new ATOM 526 N MET A 36 -14.486 -6.819 -7.118 1.00 0.00 N ATOM 527 CA MET A 36 -13.242 -7.498 -7.310 1.00 0.00 C ATOM 528 C MET A 36 -13.313 -8.402 -8.493 1.00 0.00 C ATOM 529 O MET A 36 -12.281 -8.567 -9.141 1.00 0.00 O ATOM 530 CB MET A 36 -13.046 -8.497 -6.157 1.00 0.00 C ATOM 531 CG MET A 36 -12.894 -7.715 -4.851 1.00 0.00 C ATOM 532 SD MET A 36 -11.656 -6.387 -4.757 1.00 0.00 S ATOM 533 CE MET A 36 -11.599 -6.379 -2.942 1.00 0.00 C ATOM 0 H MET A 36 -15.023 -7.186 -6.332 1.00 0.00 H new ATOM 0 HA MET A 36 -12.469 -6.734 -7.398 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.898 -9.174 -6.095 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.163 -9.111 -6.335 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.864 -7.278 -4.615 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.667 -8.433 -4.062 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.915 -5.601 -2.603 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.596 -6.183 -2.548 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.252 -7.348 -2.585 1.00 0.00 H new ATOM 543 N ARG A 37 -14.493 -9.004 -8.726 1.00 0.00 N ATOM 544 CA ARG A 37 -14.622 -9.918 -9.818 1.00 0.00 C ATOM 545 C ARG A 37 -14.377 -9.280 -11.142 1.00 0.00 C ATOM 546 O ARG A 37 -13.680 -9.880 -11.959 1.00 0.00 O ATOM 547 CB ARG A 37 -15.898 -10.764 -9.667 1.00 0.00 C ATOM 548 CG ARG A 37 -15.859 -12.038 -10.513 1.00 0.00 C ATOM 549 CD ARG A 37 -17.058 -12.870 -10.054 1.00 0.00 C ATOM 550 NE ARG A 37 -16.859 -14.224 -10.641 1.00 0.00 N ATOM 551 CZ ARG A 37 -17.496 -15.320 -10.133 1.00 0.00 C ATOM 552 NH1 ARG A 37 -18.465 -15.154 -9.187 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.211 -16.559 -10.630 1.00 0.00 N ATOM 0 H ARG A 37 -15.339 -8.863 -8.174 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.812 -10.647 -9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.031 -11.032 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.763 -10.166 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.926 -11.806 -11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.925 -12.580 -10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.107 -12.919 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.994 -12.429 -10.396 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.234 -14.335 -11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.708 -14.217 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.946 -15.967 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.525 -16.663 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.684 -17.381 -10.254 1.00 0.00 H new ATOM 567 N SER A 38 -14.890 -8.055 -11.358 1.00 0.00 N ATOM 568 CA SER A 38 -14.853 -7.308 -12.576 1.00 0.00 C ATOM 569 C SER A 38 -13.523 -6.693 -12.847 1.00 0.00 C ATOM 570 O SER A 38 -13.278 -6.209 -13.951 1.00 0.00 O ATOM 571 CB SER A 38 -15.966 -6.259 -12.741 1.00 0.00 C ATOM 572 OG SER A 38 -17.163 -6.996 -12.940 1.00 0.00 O ATOM 0 H SER A 38 -15.371 -7.546 -10.616 1.00 0.00 H new ATOM 0 HA SER A 38 -15.044 -8.073 -13.329 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.039 -5.624 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.764 -5.604 -13.589 1.00 0.00 H new ATOM 0 HG SER A 38 -17.914 -6.376 -13.051 1.00 0.00 H new ATOM 578 N LEU A 39 -12.636 -6.726 -11.837 1.00 0.00 N ATOM 579 CA LEU A 39 -11.253 -6.374 -11.743 1.00 0.00 C ATOM 580 C LEU A 39 -10.379 -7.558 -11.977 1.00 0.00 C ATOM 581 O LEU A 39 -9.206 -7.356 -12.286 1.00 0.00 O ATOM 582 CB LEU A 39 -10.863 -5.599 -10.473 1.00 0.00 C ATOM 583 CG LEU A 39 -11.603 -4.257 -10.355 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.629 -3.732 -8.910 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.006 -3.191 -11.289 1.00 0.00 C ATOM 0 H LEU A 39 -12.956 -7.061 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.084 -5.658 -12.547 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.081 -6.209 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.788 -5.419 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.630 -4.452 -10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.162 -2.782 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.135 -4.454 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.608 -3.587 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.557 -2.258 -11.175 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.959 -3.028 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.078 -3.531 -12.322 1.00 0.00 H new ATOM 597 N GLY A 40 -10.879 -8.803 -11.881 1.00 0.00 N ATOM 598 CA GLY A 40 -10.154 -10.021 -12.069 1.00 0.00 C ATOM 599 C GLY A 40 -9.607 -10.735 -10.881 1.00 0.00 C ATOM 600 O GLY A 40 -8.883 -11.717 -11.037 1.00 0.00 O ATOM 0 H GLY A 40 -11.860 -8.969 -11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.810 -10.715 -12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.318 -9.805 -12.735 1.00 0.00 H new ATOM 604 N GLN A 41 -10.000 -10.272 -9.681 1.00 0.00 N ATOM 605 CA GLN A 41 -9.485 -10.778 -8.447 1.00 0.00 C ATOM 606 C GLN A 41 -10.328 -11.767 -7.719 1.00 0.00 C ATOM 607 O GLN A 41 -11.545 -11.594 -7.768 1.00 0.00 O ATOM 608 CB GLN A 41 -9.315 -9.584 -7.493 1.00 0.00 C ATOM 609 CG GLN A 41 -8.306 -8.584 -8.061 1.00 0.00 C ATOM 610 CD GLN A 41 -8.030 -7.511 -7.017 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.123 -7.589 -5.793 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.428 -6.410 -7.540 1.00 0.00 N ATOM 0 H GLN A 41 -10.690 -9.530 -9.566 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.570 -11.301 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.276 -9.093 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.978 -9.935 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.381 -9.094 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.697 -8.131 -8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.334 -6.312 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.071 -5.682 -6.922 1.00 0.00 H new ATOM 621 N ASN A 42 -9.792 -12.732 -6.950 1.00 0.00 N ATOM 622 CA ASN A 42 -10.566 -13.778 -6.357 1.00 0.00 C ATOM 623 C ASN A 42 -10.326 -13.869 -4.889 1.00 0.00 C ATOM 624 O ASN A 42 -9.731 -14.858 -4.462 1.00 0.00 O ATOM 625 CB ASN A 42 -10.337 -15.146 -7.020 1.00 0.00 C ATOM 626 CG ASN A 42 -10.852 -15.310 -8.443 1.00 0.00 C ATOM 627 OD1 ASN A 42 -12.040 -15.603 -8.575 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.951 -14.956 -9.397 1.00 0.00 N ATOM 0 H ASN A 42 -8.796 -12.786 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.609 -13.509 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.266 -15.349 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.806 -15.908 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.236 -14.908 -10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.990 -14.738 -9.135 1.00 0.00 H new ATOM 635 N PRO A 43 -10.691 -13.023 -3.972 1.00 0.00 N ATOM 636 CA PRO A 43 -10.908 -13.500 -2.637 1.00 0.00 C ATOM 637 C PRO A 43 -11.927 -14.574 -2.460 1.00 0.00 C ATOM 638 O PRO A 43 -12.793 -14.697 -3.324 1.00 0.00 O ATOM 639 CB PRO A 43 -11.250 -12.230 -1.861 1.00 0.00 C ATOM 640 CG PRO A 43 -11.774 -11.226 -2.900 1.00 0.00 C ATOM 641 CD PRO A 43 -11.038 -11.627 -4.188 1.00 0.00 C ATOM 0 HA PRO A 43 -10.020 -14.021 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.002 -12.430 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.372 -11.838 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.855 -11.297 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.551 -10.198 -2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.673 -11.504 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.151 -11.015 -4.348 1.00 0.00 H new ATOM 649 N THR A 44 -11.999 -15.193 -1.268 1.00 0.00 N ATOM 650 CA THR A 44 -13.148 -15.884 -0.769 1.00 0.00 C ATOM 651 C THR A 44 -14.085 -14.931 -0.110 1.00 0.00 C ATOM 652 O THR A 44 -13.794 -13.773 0.186 1.00 0.00 O ATOM 653 CB THR A 44 -12.874 -17.014 0.179 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.204 -16.603 1.361 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.989 -18.104 -0.449 1.00 0.00 C ATOM 0 H THR A 44 -11.213 -15.212 -0.618 1.00 0.00 H new ATOM 0 HA THR A 44 -13.586 -16.337 -1.659 1.00 0.00 H new ATOM 0 HB THR A 44 -13.866 -17.397 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.235 -16.631 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.820 -18.899 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.486 -18.515 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.032 -17.672 -0.743 1.00 0.00 H new ATOM 663 N GLU A 45 -15.328 -15.390 0.123 1.00 0.00 N ATOM 664 CA GLU A 45 -16.291 -14.517 0.720 1.00 0.00 C ATOM 665 C GLU A 45 -15.982 -14.285 2.159 1.00 0.00 C ATOM 666 O GLU A 45 -16.217 -13.218 2.723 1.00 0.00 O ATOM 667 CB GLU A 45 -17.676 -15.137 0.472 1.00 0.00 C ATOM 668 CG GLU A 45 -18.020 -15.293 -1.011 1.00 0.00 C ATOM 669 CD GLU A 45 -19.233 -16.161 -1.313 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.028 -17.399 -1.425 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.379 -15.668 -1.485 1.00 0.00 O ATOM 0 H GLU A 45 -15.659 -16.331 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.268 -13.524 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.718 -16.115 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.434 -14.515 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.189 -14.302 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.156 -15.715 -1.524 1.00 0.00 H new ATOM 678 N ALA A 46 -15.407 -15.248 2.901 1.00 0.00 N ATOM 679 CA ALA A 46 -15.097 -15.069 4.286 1.00 0.00 C ATOM 680 C ALA A 46 -14.002 -14.094 4.554 1.00 0.00 C ATOM 681 O ALA A 46 -14.124 -13.256 5.446 1.00 0.00 O ATOM 682 CB ALA A 46 -14.836 -16.468 4.870 1.00 0.00 C ATOM 0 H ALA A 46 -15.153 -16.165 2.534 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.943 -14.601 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.594 -16.381 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.727 -17.084 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.001 -16.932 4.345 1.00 0.00 H new ATOM 688 N GLU A 47 -12.966 -14.092 3.696 1.00 0.00 N ATOM 689 CA GLU A 47 -11.938 -13.097 3.692 1.00 0.00 C ATOM 690 C GLU A 47 -12.497 -11.726 3.527 1.00 0.00 C ATOM 691 O GLU A 47 -12.158 -10.824 4.291 1.00 0.00 O ATOM 692 CB GLU A 47 -10.900 -13.431 2.607 1.00 0.00 C ATOM 693 CG GLU A 47 -10.102 -14.670 3.019 1.00 0.00 C ATOM 694 CD GLU A 47 -9.378 -15.139 1.766 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.000 -15.588 0.766 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.171 -14.776 1.750 1.00 0.00 O ATOM 0 H GLU A 47 -12.839 -14.808 2.980 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.439 -13.106 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.400 -13.609 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.228 -12.586 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.394 -14.432 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.761 -15.449 3.403 1.00 0.00 H new ATOM 703 N LEU A 48 -13.384 -11.493 2.543 1.00 0.00 N ATOM 704 CA LEU A 48 -14.169 -10.307 2.392 1.00 0.00 C ATOM 705 C LEU A 48 -14.933 -9.944 3.619 1.00 0.00 C ATOM 706 O LEU A 48 -14.974 -8.787 4.036 1.00 0.00 O ATOM 707 CB LEU A 48 -15.087 -10.458 1.167 1.00 0.00 C ATOM 708 CG LEU A 48 -14.401 -10.082 -0.157 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.344 -10.499 -1.298 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.975 -8.616 -0.341 1.00 0.00 C ATOM 0 H LEU A 48 -13.564 -12.176 1.807 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.486 -9.473 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.435 -11.489 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.968 -9.831 1.302 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.450 -10.614 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.889 -10.247 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.519 -11.574 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.293 -9.972 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.505 -8.493 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.852 -7.972 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.265 -8.343 0.440 1.00 0.00 H new ATOM 722 N GLN A 49 -15.631 -10.889 4.273 1.00 0.00 N ATOM 723 CA GLN A 49 -16.352 -10.665 5.487 1.00 0.00 C ATOM 724 C GLN A 49 -15.508 -10.323 6.667 1.00 0.00 C ATOM 725 O GLN A 49 -15.802 -9.418 7.445 1.00 0.00 O ATOM 726 CB GLN A 49 -17.371 -11.788 5.743 1.00 0.00 C ATOM 727 CG GLN A 49 -18.367 -11.478 6.862 1.00 0.00 C ATOM 728 CD GLN A 49 -19.378 -10.382 6.557 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.385 -10.491 5.859 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.004 -9.139 6.962 1.00 0.00 N ATOM 0 H GLN A 49 -15.696 -11.851 3.941 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.921 -9.748 5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.922 -11.982 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.834 -12.703 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.910 -12.392 7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.808 -11.194 7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.173 -9.020 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.554 -8.326 6.686 1.00 0.00 H new ATOM 739 N ASP A 50 -14.310 -10.915 6.828 1.00 0.00 N ATOM 740 CA ASP A 50 -13.293 -10.482 7.734 1.00 0.00 C ATOM 741 C ASP A 50 -12.833 -9.077 7.547 1.00 0.00 C ATOM 742 O ASP A 50 -12.842 -8.260 8.466 1.00 0.00 O ATOM 743 CB ASP A 50 -12.094 -11.435 7.595 1.00 0.00 C ATOM 744 CG ASP A 50 -11.146 -11.344 8.783 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.494 -11.830 9.892 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.002 -10.846 8.608 1.00 0.00 O ATOM 0 H ASP A 50 -14.038 -11.741 6.296 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.735 -10.506 8.730 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.455 -12.459 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.550 -11.201 6.680 1.00 0.00 H new ATOM 751 N MET A 51 -12.472 -8.672 6.316 1.00 0.00 N ATOM 752 CA MET A 51 -12.224 -7.328 5.896 1.00 0.00 C ATOM 753 C MET A 51 -13.272 -6.350 6.303 1.00 0.00 C ATOM 754 O MET A 51 -13.068 -5.464 7.131 1.00 0.00 O ATOM 755 CB MET A 51 -11.843 -7.288 4.406 1.00 0.00 C ATOM 756 CG MET A 51 -11.333 -5.955 3.855 1.00 0.00 C ATOM 757 SD MET A 51 -11.169 -5.728 2.059 1.00 0.00 S ATOM 758 CE MET A 51 -10.850 -3.953 2.269 1.00 0.00 C ATOM 0 H MET A 51 -12.344 -9.339 5.555 1.00 0.00 H new ATOM 0 HA MET A 51 -11.356 -6.972 6.450 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.075 -8.042 4.232 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.717 -7.583 3.825 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.999 -5.174 4.223 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.354 -5.773 4.297 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.710 -3.384 1.915 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.680 -3.736 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.968 -3.671 1.694 1.00 0.00 H new ATOM 768 N ILE A 52 -14.524 -6.560 5.860 1.00 0.00 N ATOM 769 CA ILE A 52 -15.708 -5.844 6.224 1.00 0.00 C ATOM 770 C ILE A 52 -15.844 -5.632 7.692 1.00 0.00 C ATOM 771 O ILE A 52 -16.005 -4.534 8.223 1.00 0.00 O ATOM 772 CB ILE A 52 -16.905 -6.551 5.660 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.964 -6.418 4.129 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.133 -5.786 6.183 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.107 -7.208 3.493 1.00 0.00 C ATOM 0 H ILE A 52 -14.724 -7.299 5.186 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.634 -4.844 5.796 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.866 -7.604 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.071 -5.365 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.019 -6.757 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.042 -6.255 5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.139 -5.809 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.090 -4.752 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.088 -7.069 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.990 -8.267 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.059 -6.853 3.888 1.00 0.00 H new ATOM 787 N ASN A 53 -15.905 -6.778 8.394 1.00 0.00 N ATOM 788 CA ASN A 53 -16.020 -6.905 9.814 1.00 0.00 C ATOM 789 C ASN A 53 -15.156 -6.036 10.661 1.00 0.00 C ATOM 790 O ASN A 53 -15.555 -5.600 11.739 1.00 0.00 O ATOM 791 CB ASN A 53 -15.834 -8.346 10.315 1.00 0.00 C ATOM 792 CG ASN A 53 -17.028 -9.239 10.008 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.087 -8.837 9.528 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.717 -10.556 10.138 1.00 0.00 N ATOM 0 H ASN A 53 -15.871 -7.686 7.931 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.045 -6.557 9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.941 -8.772 9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.665 -8.332 11.392 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.378 -11.269 9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.823 -10.831 10.544 1.00 0.00 H new ATOM 801 N GLU A 54 -14.029 -5.641 10.042 1.00 0.00 N ATOM 802 CA GLU A 54 -13.066 -4.906 10.802 1.00 0.00 C ATOM 803 C GLU A 54 -13.527 -3.493 10.911 1.00 0.00 C ATOM 804 O GLU A 54 -13.367 -2.874 11.962 1.00 0.00 O ATOM 805 CB GLU A 54 -11.616 -5.044 10.311 1.00 0.00 C ATOM 806 CG GLU A 54 -10.564 -4.494 11.276 1.00 0.00 C ATOM 807 CD GLU A 54 -9.111 -4.664 10.856 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.684 -5.775 10.442 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.309 -3.702 10.993 1.00 0.00 O ATOM 0 H GLU A 54 -13.791 -5.818 9.066 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.016 -5.347 11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.407 -6.098 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.519 -4.529 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.756 -3.431 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.700 -4.978 12.243 1.00 0.00 H new ATOM 816 N VAL A 55 -14.019 -2.906 9.805 1.00 0.00 N ATOM 817 CA VAL A 55 -14.426 -1.541 9.688 1.00 0.00 C ATOM 818 C VAL A 55 -15.871 -1.262 9.924 1.00 0.00 C ATOM 819 O VAL A 55 -16.412 -0.157 9.903 1.00 0.00 O ATOM 820 CB VAL A 55 -13.864 -0.794 8.514 1.00 0.00 C ATOM 821 CG1 VAL A 55 -14.627 -1.231 7.252 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.827 0.737 8.655 1.00 0.00 C ATOM 0 H VAL A 55 -14.140 -3.422 8.934 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.929 -1.108 10.556 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.809 -1.060 8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.233 -0.699 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.503 -2.304 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.686 -1.000 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.403 1.175 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.839 1.114 8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.212 1.009 9.513 1.00 0.00 H new ATOM 832 N ASP A 56 -16.668 -2.288 10.270 1.00 0.00 N ATOM 833 CA ASP A 56 -18.076 -2.334 10.517 1.00 0.00 C ATOM 834 C ASP A 56 -18.289 -1.835 11.905 1.00 0.00 C ATOM 835 O ASP A 56 -17.879 -2.483 12.867 1.00 0.00 O ATOM 836 CB ASP A 56 -18.629 -3.743 10.242 1.00 0.00 C ATOM 837 CG ASP A 56 -20.144 -3.853 10.153 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.854 -2.845 9.892 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.684 -4.978 10.328 1.00 0.00 O ATOM 0 H ASP A 56 -16.261 -3.215 10.393 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.639 -1.693 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.202 -4.105 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.281 -4.410 11.031 1.00 0.00 H new ATOM 844 N ALA A 57 -18.853 -0.621 12.033 1.00 0.00 N ATOM 845 CA ALA A 57 -19.054 0.044 13.283 1.00 0.00 C ATOM 846 C ALA A 57 -20.411 -0.126 13.875 1.00 0.00 C ATOM 847 O ALA A 57 -20.641 -0.270 15.074 1.00 0.00 O ATOM 848 CB ALA A 57 -18.537 1.474 13.053 1.00 0.00 C ATOM 0 H ALA A 57 -19.182 -0.081 11.233 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.490 -0.412 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.655 2.055 13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.483 1.440 12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.106 1.942 12.250 1.00 0.00 H new ATOM 854 N ASP A 58 -21.383 -0.116 12.945 1.00 0.00 N ATOM 855 CA ASP A 58 -22.765 -0.248 13.290 1.00 0.00 C ATOM 856 C ASP A 58 -23.120 -1.692 13.387 1.00 0.00 C ATOM 857 O ASP A 58 -24.035 -2.155 14.067 1.00 0.00 O ATOM 858 CB ASP A 58 -23.552 0.635 12.308 1.00 0.00 C ATOM 859 CG ASP A 58 -23.407 0.156 10.871 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.608 -1.050 10.564 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.001 0.970 9.998 1.00 0.00 O ATOM 0 H ASP A 58 -21.209 -0.016 11.945 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.028 0.120 14.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.606 0.636 12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.201 1.664 12.384 1.00 0.00 H new ATOM 866 N GLY A 59 -22.263 -2.572 12.840 1.00 0.00 N ATOM 867 CA GLY A 59 -22.321 -3.969 13.142 1.00 0.00 C ATOM 868 C GLY A 59 -23.292 -4.785 12.361 1.00 0.00 C ATOM 869 O GLY A 59 -23.488 -5.941 12.730 1.00 0.00 O ATOM 0 H GLY A 59 -21.525 -2.314 12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.327 -4.390 12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.559 -4.078 14.200 1.00 0.00 H new ATOM 873 N ASN A 60 -23.846 -4.256 11.255 1.00 0.00 N ATOM 874 CA ASN A 60 -24.779 -4.968 10.437 1.00 0.00 C ATOM 875 C ASN A 60 -24.158 -5.978 9.535 1.00 0.00 C ATOM 876 O ASN A 60 -24.901 -6.679 8.849 1.00 0.00 O ATOM 877 CB ASN A 60 -25.720 -4.116 9.568 1.00 0.00 C ATOM 878 CG ASN A 60 -24.969 -3.175 8.638 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.747 -3.125 8.502 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.799 -2.256 8.074 1.00 0.00 N ATOM 0 H ASN A 60 -23.642 -3.314 10.922 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.372 -5.452 11.213 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.356 -4.774 8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.377 -3.534 10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.413 -1.494 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.807 -2.329 8.208 1.00 0.00 H new ATOM 887 N GLY A 61 -22.833 -6.083 9.326 1.00 0.00 N ATOM 888 CA GLY A 61 -22.055 -6.945 8.491 1.00 0.00 C ATOM 889 C GLY A 61 -21.823 -6.398 7.125 1.00 0.00 C ATOM 890 O GLY A 61 -21.430 -7.127 6.215 1.00 0.00 O ATOM 0 H GLY A 61 -22.211 -5.453 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.093 -7.129 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.558 -7.908 8.407 1.00 0.00 H new ATOM 894 N THR A 62 -22.034 -5.085 6.924 1.00 0.00 N ATOM 895 CA THR A 62 -22.009 -4.565 5.593 1.00 0.00 C ATOM 896 C THR A 62 -21.594 -3.134 5.562 1.00 0.00 C ATOM 897 O THR A 62 -21.765 -2.388 6.525 1.00 0.00 O ATOM 898 CB THR A 62 -23.328 -4.604 4.879 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.354 -3.902 5.565 1.00 0.00 O ATOM 900 CG2 THR A 62 -23.850 -6.033 4.656 1.00 0.00 C ATOM 0 H THR A 62 -22.217 -4.401 7.659 1.00 0.00 H new ATOM 0 HA THR A 62 -21.297 -5.222 5.093 1.00 0.00 H new ATOM 0 HB THR A 62 -23.113 -4.124 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.218 -4.091 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.807 -5.994 4.135 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.133 -6.593 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.981 -6.527 5.619 1.00 0.00 H new ATOM 908 N ILE A 63 -20.909 -2.736 4.475 1.00 0.00 N ATOM 909 CA ILE A 63 -20.195 -1.505 4.338 1.00 0.00 C ATOM 910 C ILE A 63 -21.155 -0.471 3.859 1.00 0.00 C ATOM 911 O ILE A 63 -21.511 -0.397 2.684 1.00 0.00 O ATOM 912 CB ILE A 63 -19.000 -1.543 3.432 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.191 -2.831 3.663 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.168 -0.315 3.839 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.114 -3.174 2.634 1.00 0.00 C ATOM 0 H ILE A 63 -20.851 -3.314 3.636 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.784 -1.277 5.321 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.279 -1.529 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.714 -2.759 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.891 -3.665 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.270 -0.264 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.759 0.589 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.885 -0.399 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.622 -4.104 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.573 -3.291 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.378 -2.371 2.597 1.00 0.00 H new ATOM 927 N ASP A 64 -21.612 0.387 4.788 1.00 0.00 N ATOM 928 CA ASP A 64 -22.369 1.563 4.486 1.00 0.00 C ATOM 929 C ASP A 64 -21.500 2.682 4.025 1.00 0.00 C ATOM 930 O ASP A 64 -20.273 2.605 4.069 1.00 0.00 O ATOM 931 CB ASP A 64 -23.002 1.972 5.827 1.00 0.00 C ATOM 932 CG ASP A 64 -23.878 0.843 6.351 1.00 0.00 C ATOM 933 OD1 ASP A 64 -25.062 0.658 5.961 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.359 -0.013 7.115 1.00 0.00 O ATOM 0 H ASP A 64 -21.449 0.258 5.786 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.088 1.363 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.222 2.205 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.597 2.876 5.698 1.00 0.00 H new ATOM 939 N PHE A 65 -22.097 3.811 3.604 1.00 0.00 N ATOM 940 CA PHE A 65 -21.356 4.890 3.028 1.00 0.00 C ATOM 941 C PHE A 65 -20.487 5.597 4.010 1.00 0.00 C ATOM 942 O PHE A 65 -19.348 5.687 3.553 1.00 0.00 O ATOM 943 CB PHE A 65 -22.263 5.894 2.297 1.00 0.00 C ATOM 944 CG PHE A 65 -21.519 6.875 1.459 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.620 6.467 0.502 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.781 8.224 1.510 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.832 7.338 -0.213 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.130 9.120 0.694 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.123 8.680 -0.132 1.00 0.00 C ATOM 0 H PHE A 65 -23.102 3.977 3.663 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.699 4.423 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.961 5.346 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.857 6.436 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.528 5.410 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.518 8.590 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.012 6.980 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.409 10.163 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.559 9.390 -0.719 1.00 0.00 H new ATOM 959 N PRO A 66 -20.686 6.092 5.195 1.00 0.00 N ATOM 960 CA PRO A 66 -19.667 6.658 6.031 1.00 0.00 C ATOM 961 C PRO A 66 -18.650 5.615 6.345 1.00 0.00 C ATOM 962 O PRO A 66 -17.541 5.996 6.716 1.00 0.00 O ATOM 963 CB PRO A 66 -20.375 7.162 7.286 1.00 0.00 C ATOM 964 CG PRO A 66 -21.614 6.264 7.425 1.00 0.00 C ATOM 965 CD PRO A 66 -21.921 5.953 5.952 1.00 0.00 C ATOM 0 HA PRO A 66 -19.138 7.479 5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.730 7.085 8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.656 8.211 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.407 5.363 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.440 6.776 7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.318 4.943 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.681 6.634 5.569 1.00 0.00 H new ATOM 973 N GLU A 67 -18.912 4.297 6.302 1.00 0.00 N ATOM 974 CA GLU A 67 -17.891 3.322 6.534 1.00 0.00 C ATOM 975 C GLU A 67 -17.024 3.067 5.350 1.00 0.00 C ATOM 976 O GLU A 67 -15.829 2.811 5.492 1.00 0.00 O ATOM 977 CB GLU A 67 -18.392 1.964 7.054 1.00 0.00 C ATOM 978 CG GLU A 67 -19.326 2.017 8.264 1.00 0.00 C ATOM 979 CD GLU A 67 -20.019 0.708 8.614 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.360 -0.056 7.672 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.258 0.413 9.815 1.00 0.00 O ATOM 0 H GLU A 67 -19.833 3.905 6.106 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.308 3.797 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.910 1.454 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.527 1.354 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.752 2.347 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.089 2.774 8.080 1.00 0.00 H new ATOM 988 N PHE A 68 -17.511 3.223 4.107 1.00 0.00 N ATOM 989 CA PHE A 68 -16.720 3.248 2.916 1.00 0.00 C ATOM 990 C PHE A 68 -15.859 4.459 2.803 1.00 0.00 C ATOM 991 O PHE A 68 -14.672 4.345 2.501 1.00 0.00 O ATOM 992 CB PHE A 68 -17.579 3.068 1.653 1.00 0.00 C ATOM 993 CG PHE A 68 -16.861 2.744 0.389 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.276 3.748 -0.347 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.811 1.461 -0.104 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.698 3.505 -1.571 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.397 1.227 -1.394 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.774 2.235 -2.091 1.00 0.00 C ATOM 0 H PHE A 68 -18.508 3.338 3.923 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.048 2.394 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.302 2.275 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.146 3.985 1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.270 4.754 0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.099 0.632 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.196 4.294 -2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.559 0.263 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.340 2.027 -3.058 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.326 5.631 3.270 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.481 6.772 3.441 1.00 0.00 C ATOM 1010 C LEU A 69 -14.459 6.572 4.506 1.00 0.00 C ATOM 1011 O LEU A 69 -13.268 6.830 4.335 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.299 8.036 3.752 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.250 8.479 2.627 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.873 9.828 3.025 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.527 8.526 1.270 1.00 0.00 C ATOM 0 H LEU A 69 -17.299 5.789 3.532 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.961 6.903 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.883 7.861 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.611 8.853 3.971 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.052 7.752 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.552 10.161 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.425 9.713 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.084 10.568 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.226 8.842 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.700 9.234 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.142 7.535 1.028 1.00 0.00 H new ATOM 1027 N THR A 70 -14.847 6.077 5.695 1.00 0.00 N ATOM 1028 CA THR A 70 -13.904 5.714 6.706 1.00 0.00 C ATOM 1029 C THR A 70 -12.828 4.767 6.299 1.00 0.00 C ATOM 1030 O THR A 70 -11.705 4.974 6.757 1.00 0.00 O ATOM 1031 CB THR A 70 -14.605 5.263 7.953 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.348 6.324 8.533 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.582 4.828 9.017 1.00 0.00 C ATOM 0 H THR A 70 -15.821 5.928 5.957 1.00 0.00 H new ATOM 0 HA THR A 70 -13.357 6.635 6.907 1.00 0.00 H new ATOM 0 HB THR A 70 -15.259 4.440 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.199 6.425 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.107 4.504 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.982 4.004 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.931 5.668 9.260 1.00 0.00 H new ATOM 1041 N MET A 71 -13.086 3.728 5.486 1.00 0.00 N ATOM 1042 CA MET A 71 -12.129 2.853 4.882 1.00 0.00 C ATOM 1043 C MET A 71 -11.175 3.583 4.000 1.00 0.00 C ATOM 1044 O MET A 71 -9.955 3.503 4.131 1.00 0.00 O ATOM 1045 CB MET A 71 -12.836 1.794 4.021 1.00 0.00 C ATOM 1046 CG MET A 71 -12.064 0.555 3.561 1.00 0.00 C ATOM 1047 SD MET A 71 -12.876 -0.446 2.279 1.00 0.00 S ATOM 1048 CE MET A 71 -13.661 -1.709 3.322 1.00 0.00 C ATOM 0 H MET A 71 -14.042 3.481 5.231 1.00 0.00 H new ATOM 0 HA MET A 71 -11.580 2.390 5.702 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.706 1.448 4.579 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.209 2.296 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.091 0.874 3.186 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.879 -0.079 4.428 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.039 -2.516 2.694 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.928 -2.108 4.024 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.487 -1.262 3.875 1.00 0.00 H new ATOM 1058 N MET A 72 -11.678 4.507 3.162 1.00 0.00 N ATOM 1059 CA MET A 72 -10.837 5.189 2.228 1.00 0.00 C ATOM 1060 C MET A 72 -9.943 6.203 2.853 1.00 0.00 C ATOM 1061 O MET A 72 -8.831 6.370 2.355 1.00 0.00 O ATOM 1062 CB MET A 72 -11.626 5.920 1.129 1.00 0.00 C ATOM 1063 CG MET A 72 -12.128 4.864 0.142 1.00 0.00 C ATOM 1064 SD MET A 72 -10.834 3.848 -0.632 1.00 0.00 S ATOM 1065 CE MET A 72 -12.020 2.616 -1.242 1.00 0.00 C ATOM 0 H MET A 72 -12.660 4.781 3.131 1.00 0.00 H new ATOM 0 HA MET A 72 -10.241 4.381 1.802 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.462 6.471 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.992 6.648 0.622 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.822 4.204 0.663 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.693 5.365 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.487 1.834 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.553 2.176 -0.399 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.733 3.098 -1.911 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.388 6.817 3.964 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.509 7.692 4.677 1.00 0.00 C ATOM 1077 C ALA A 73 -8.526 7.076 5.613 1.00 0.00 C ATOM 1078 O ALA A 73 -7.478 7.618 5.959 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.441 8.574 5.524 1.00 0.00 C ATOM 0 H ALA A 73 -11.323 6.714 4.359 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.892 8.188 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.846 9.278 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.116 9.124 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.022 7.946 6.199 1.00 0.00 H new ATOM 1234 N GLU A 83 4.213 13.924 -10.286 1.00 0.00 N ATOM 1235 CA GLU A 83 5.365 14.288 -9.521 1.00 0.00 C ATOM 1236 C GLU A 83 5.553 13.498 -8.271 1.00 0.00 C ATOM 1237 O GLU A 83 6.623 12.940 -8.033 1.00 0.00 O ATOM 1238 CB GLU A 83 5.636 15.794 -9.367 1.00 0.00 C ATOM 1239 CG GLU A 83 6.380 16.370 -10.574 1.00 0.00 C ATOM 1240 CD GLU A 83 7.839 15.952 -10.692 1.00 0.00 C ATOM 1241 OE1 GLU A 83 8.758 16.372 -9.940 1.00 0.00 O ATOM 1242 OE2 GLU A 83 8.053 15.153 -11.642 1.00 0.00 O ATOM 0 HA GLU A 83 6.179 13.973 -10.174 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.691 16.321 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.222 15.966 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.857 16.068 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.332 17.458 -10.525 1.00 0.00 H new ATOM 1249 N GLU A 84 4.525 13.445 -7.406 1.00 0.00 N ATOM 1250 CA GLU A 84 4.456 12.689 -6.194 1.00 0.00 C ATOM 1251 C GLU A 84 4.440 11.208 -6.356 1.00 0.00 C ATOM 1252 O GLU A 84 4.738 10.531 -5.373 1.00 0.00 O ATOM 1253 CB GLU A 84 3.314 13.106 -5.252 1.00 0.00 C ATOM 1254 CG GLU A 84 3.639 14.465 -4.630 1.00 0.00 C ATOM 1255 CD GLU A 84 4.672 14.427 -3.513 1.00 0.00 C ATOM 1256 OE1 GLU A 84 5.883 14.224 -3.796 1.00 0.00 O ATOM 1257 OE2 GLU A 84 4.298 14.709 -2.343 1.00 0.00 O ATOM 0 H GLU A 84 3.670 13.977 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 84 5.407 12.951 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.375 13.161 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.181 12.358 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.998 15.131 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.719 14.899 -4.240 1.00 0.00 H new ATOM 1264 N ILE A 85 4.158 10.682 -7.561 1.00 0.00 N ATOM 1265 CA ILE A 85 4.318 9.353 -8.064 1.00 0.00 C ATOM 1266 C ILE A 85 5.755 9.135 -8.389 1.00 0.00 C ATOM 1267 O ILE A 85 6.284 8.042 -8.188 1.00 0.00 O ATOM 1268 CB ILE A 85 3.306 9.082 -9.138 1.00 0.00 C ATOM 1269 CG1 ILE A 85 1.999 8.719 -8.413 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.863 7.995 -10.073 1.00 0.00 C ATOM 1271 CD1 ILE A 85 0.838 8.945 -9.379 1.00 0.00 C ATOM 0 H ILE A 85 3.760 11.282 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 85 4.091 8.586 -7.323 1.00 0.00 H new ATOM 0 HB ILE A 85 3.097 9.934 -9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.023 7.680 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.876 9.333 -7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.139 7.786 -10.860 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.795 8.342 -10.520 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.051 7.086 -9.502 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.101 8.693 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.818 9.991 -9.685 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.967 8.312 -10.257 1.00 0.00 H new ATOM 1283 N ARG A 86 6.470 10.154 -8.898 1.00 0.00 N ATOM 1284 CA ARG A 86 7.846 10.132 -9.287 1.00 0.00 C ATOM 1285 C ARG A 86 8.831 10.283 -8.180 1.00 0.00 C ATOM 1286 O ARG A 86 9.875 9.637 -8.105 1.00 0.00 O ATOM 1287 CB ARG A 86 8.125 11.162 -10.395 1.00 0.00 C ATOM 1288 CG ARG A 86 9.487 10.947 -11.058 1.00 0.00 C ATOM 1289 CD ARG A 86 9.774 11.928 -12.197 1.00 0.00 C ATOM 1290 NE ARG A 86 9.982 13.311 -11.684 1.00 0.00 N ATOM 1291 CZ ARG A 86 11.101 13.765 -11.047 1.00 0.00 C ATOM 1292 NH1 ARG A 86 12.220 12.985 -11.015 1.00 0.00 N ATOM 1293 NH2 ARG A 86 11.101 14.946 -10.362 1.00 0.00 N ATOM 0 H ARG A 86 6.048 11.070 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 86 8.000 9.122 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.342 11.101 -11.151 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.083 12.166 -9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.268 11.040 -10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.537 9.929 -11.445 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.660 11.604 -12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.944 11.921 -12.903 1.00 0.00 H new ATOM 0 HE ARG A 86 9.222 13.977 -11.821 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.217 12.070 -11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.060 13.317 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.252 15.510 -10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.950 15.264 -9.894 1.00 0.00 H new ATOM 1307 N GLU A 87 8.591 11.149 -7.179 1.00 0.00 N ATOM 1308 CA GLU A 87 9.095 11.147 -5.841 1.00 0.00 C ATOM 1309 C GLU A 87 8.829 9.874 -5.113 1.00 0.00 C ATOM 1310 O GLU A 87 9.742 9.364 -4.466 1.00 0.00 O ATOM 1311 CB GLU A 87 8.761 12.435 -5.071 1.00 0.00 C ATOM 1312 CG GLU A 87 9.323 12.602 -3.658 1.00 0.00 C ATOM 1313 CD GLU A 87 10.837 12.750 -3.638 1.00 0.00 C ATOM 1314 OE1 GLU A 87 11.466 12.802 -4.729 1.00 0.00 O ATOM 1315 OE2 GLU A 87 11.306 13.091 -2.519 1.00 0.00 O ATOM 0 H GLU A 87 7.969 11.943 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 87 10.182 11.169 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.107 13.279 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.676 12.513 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.871 13.478 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.039 11.740 -3.055 1.00 0.00 H new ATOM 1322 N ALA A 88 7.619 9.293 -5.209 1.00 0.00 N ATOM 1323 CA ALA A 88 7.438 8.033 -4.558 1.00 0.00 C ATOM 1324 C ALA A 88 8.135 6.866 -5.168 1.00 0.00 C ATOM 1325 O ALA A 88 8.705 6.126 -4.369 1.00 0.00 O ATOM 1326 CB ALA A 88 5.922 7.839 -4.389 1.00 0.00 C ATOM 0 H ALA A 88 6.810 9.667 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 88 7.940 8.069 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.730 6.887 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.517 8.650 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.443 7.842 -5.368 1.00 0.00 H new ATOM 1332 N PHE A 89 8.197 6.821 -6.511 1.00 0.00 N ATOM 1333 CA PHE A 89 8.941 5.811 -7.197 1.00 0.00 C ATOM 1334 C PHE A 89 10.369 5.868 -6.776 1.00 0.00 C ATOM 1335 O PHE A 89 11.042 4.850 -6.616 1.00 0.00 O ATOM 1336 CB PHE A 89 8.776 6.107 -8.697 1.00 0.00 C ATOM 1337 CG PHE A 89 9.292 4.951 -9.482 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.730 3.714 -9.271 1.00 0.00 C ATOM 1339 CD2 PHE A 89 10.426 5.097 -10.245 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.163 2.718 -10.114 1.00 0.00 C ATOM 1341 CE2 PHE A 89 10.830 4.080 -11.077 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.158 2.880 -11.049 1.00 0.00 C ATOM 0 H PHE A 89 7.729 7.488 -7.124 1.00 0.00 H new ATOM 0 HA PHE A 89 8.586 4.806 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.726 6.283 -8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.318 7.014 -8.963 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.999 3.537 -8.496 1.00 0.00 H new ATOM 0 HD2 PHE A 89 10.999 6.011 -10.191 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.693 1.749 -10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.666 4.222 -11.746 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.405 2.088 -11.741 1.00 0.00 H new ATOM 1352 N ARG A 90 10.975 7.053 -6.582 1.00 0.00 N ATOM 1353 CA ARG A 90 12.328 7.341 -6.220 1.00 0.00 C ATOM 1354 C ARG A 90 12.503 6.925 -4.801 1.00 0.00 C ATOM 1355 O ARG A 90 13.512 6.268 -4.548 1.00 0.00 O ATOM 1356 CB ARG A 90 12.631 8.826 -6.485 1.00 0.00 C ATOM 1357 CG ARG A 90 14.112 9.210 -6.450 1.00 0.00 C ATOM 1358 CD ARG A 90 14.352 10.716 -6.324 1.00 0.00 C ATOM 1359 NE ARG A 90 13.793 11.231 -5.043 1.00 0.00 N ATOM 1360 CZ ARG A 90 14.186 10.946 -3.767 1.00 0.00 C ATOM 1361 NH1 ARG A 90 15.316 10.230 -3.495 1.00 0.00 N ATOM 1362 NH2 ARG A 90 13.399 11.230 -2.688 1.00 0.00 N ATOM 0 H ARG A 90 10.444 7.917 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 90 13.049 6.788 -6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.227 9.093 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.100 9.425 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.590 8.703 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.594 8.849 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.421 10.924 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.889 11.235 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 90 13.013 11.883 -5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.899 9.888 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.577 10.037 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.488 11.668 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.722 11.004 -1.747 1.00 0.00 H new ATOM 1376 N VAL A 91 11.649 7.282 -3.825 1.00 0.00 N ATOM 1377 CA VAL A 91 11.694 6.970 -2.430 1.00 0.00 C ATOM 1378 C VAL A 91 11.714 5.490 -2.256 1.00 0.00 C ATOM 1379 O VAL A 91 12.420 4.869 -1.463 1.00 0.00 O ATOM 1380 CB VAL A 91 10.509 7.555 -1.721 1.00 0.00 C ATOM 1381 CG1 VAL A 91 10.257 7.027 -0.298 1.00 0.00 C ATOM 1382 CG2 VAL A 91 10.668 9.072 -1.524 1.00 0.00 C ATOM 0 H VAL A 91 10.834 7.856 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 91 12.598 7.400 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 91 9.686 7.269 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.378 7.516 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.091 5.950 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.124 7.240 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.793 9.466 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.560 9.270 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 91 10.764 9.557 -2.495 1.00 0.00 H new ATOM 1392 N PHE A 92 10.864 4.780 -3.019 1.00 0.00 N ATOM 1393 CA PHE A 92 10.542 3.390 -2.921 1.00 0.00 C ATOM 1394 C PHE A 92 11.691 2.570 -3.399 1.00 0.00 C ATOM 1395 O PHE A 92 11.971 1.554 -2.765 1.00 0.00 O ATOM 1396 CB PHE A 92 9.231 3.041 -3.644 1.00 0.00 C ATOM 1397 CG PHE A 92 7.864 3.320 -3.119 1.00 0.00 C ATOM 1398 CD1 PHE A 92 7.550 4.188 -2.099 1.00 0.00 C ATOM 1399 CD2 PHE A 92 6.860 2.554 -3.662 1.00 0.00 C ATOM 1400 CE1 PHE A 92 6.274 4.261 -1.593 1.00 0.00 C ATOM 1401 CE2 PHE A 92 5.614 2.585 -3.081 1.00 0.00 C ATOM 1402 CZ PHE A 92 5.310 3.365 -1.990 1.00 0.00 C ATOM 0 H PHE A 92 10.352 5.227 -3.780 1.00 0.00 H new ATOM 0 HA PHE A 92 10.367 3.152 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 92 9.285 3.533 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.267 1.967 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.320 4.824 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.046 1.939 -4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.026 5.030 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.836 1.966 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.366 3.278 -1.473 1.00 0.00 H new ATOM 1412 N ASP A 93 12.265 2.923 -4.562 1.00 0.00 N ATOM 1413 CA ASP A 93 13.288 2.081 -5.100 1.00 0.00 C ATOM 1414 C ASP A 93 14.635 2.588 -4.714 1.00 0.00 C ATOM 1415 O ASP A 93 14.887 3.792 -4.739 1.00 0.00 O ATOM 1416 CB ASP A 93 13.099 2.114 -6.626 1.00 0.00 C ATOM 1417 CG ASP A 93 13.960 1.020 -7.240 1.00 0.00 C ATOM 1418 OD1 ASP A 93 14.121 -0.023 -6.551 1.00 0.00 O ATOM 1419 OD2 ASP A 93 14.401 1.061 -8.420 1.00 0.00 O ATOM 0 H ASP A 93 12.036 3.752 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 93 13.218 1.063 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.051 1.960 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 93 13.384 3.088 -7.023 1.00 0.00 H new ATOM 1424 N LYS A 94 15.414 1.644 -4.157 1.00 0.00 N ATOM 1425 CA LYS A 94 16.595 1.959 -3.414 1.00 0.00 C ATOM 1426 C LYS A 94 17.742 2.343 -4.284 1.00 0.00 C ATOM 1427 O LYS A 94 18.363 3.361 -3.980 1.00 0.00 O ATOM 1428 CB LYS A 94 16.991 0.854 -2.421 1.00 0.00 C ATOM 1429 CG LYS A 94 16.263 0.982 -1.081 1.00 0.00 C ATOM 1430 CD LYS A 94 16.515 -0.170 -0.107 1.00 0.00 C ATOM 1431 CE LYS A 94 15.783 -0.060 1.231 1.00 0.00 C ATOM 1432 NZ LYS A 94 14.323 -0.103 0.988 1.00 0.00 N ATOM 0 H LYS A 94 15.221 0.645 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 94 16.335 2.838 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.771 -0.120 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 94 18.067 0.891 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.566 1.915 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.192 1.053 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.222 -1.103 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.586 -0.234 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.079 -0.876 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.054 0.869 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.892 -0.830 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.907 0.824 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.144 -0.333 -0.010 1.00 0.00 H new ATOM 1446 N ASP A 95 18.013 1.652 -5.405 1.00 0.00 N ATOM 1447 CA ASP A 95 19.096 1.951 -6.291 1.00 0.00 C ATOM 1448 C ASP A 95 18.814 2.954 -7.356 1.00 0.00 C ATOM 1449 O ASP A 95 19.495 3.954 -7.582 1.00 0.00 O ATOM 1450 CB ASP A 95 19.671 0.643 -6.861 1.00 0.00 C ATOM 1451 CG ASP A 95 18.757 0.018 -7.906 1.00 0.00 C ATOM 1452 OD1 ASP A 95 17.570 -0.194 -7.539 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.093 -0.212 -9.098 1.00 0.00 O ATOM 0 H ASP A 95 17.456 0.853 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 95 19.845 2.456 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 95 20.646 0.841 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 95 19.829 -0.066 -6.049 1.00 0.00 H new ATOM 1458 N GLY A 96 17.683 2.740 -8.050 1.00 0.00 N ATOM 1459 CA GLY A 96 17.100 3.770 -8.853 1.00 0.00 C ATOM 1460 C GLY A 96 17.662 3.815 -10.233 1.00 0.00 C ATOM 1461 O GLY A 96 17.577 4.841 -10.906 1.00 0.00 O ATOM 0 H GLY A 96 17.173 1.857 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.023 3.614 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.258 4.734 -8.370 1.00 0.00 H new ATOM 1465 N ASN A 97 18.138 2.682 -10.778 1.00 0.00 N ATOM 1466 CA ASN A 97 18.509 2.580 -12.155 1.00 0.00 C ATOM 1467 C ASN A 97 17.341 2.588 -13.080 1.00 0.00 C ATOM 1468 O ASN A 97 17.298 3.213 -14.139 1.00 0.00 O ATOM 1469 CB ASN A 97 19.364 1.313 -12.323 1.00 0.00 C ATOM 1470 CG ASN A 97 20.825 1.517 -11.950 1.00 0.00 C ATOM 1471 OD1 ASN A 97 21.528 2.401 -12.436 1.00 0.00 O ATOM 1472 ND2 ASN A 97 21.330 0.557 -11.130 1.00 0.00 N ATOM 0 H ASN A 97 18.268 1.818 -10.251 1.00 0.00 H new ATOM 0 HA ASN A 97 19.085 3.463 -12.430 1.00 0.00 H new ATOM 0 HB2 ASN A 97 18.947 0.517 -11.706 1.00 0.00 H new ATOM 0 HB3 ASN A 97 19.304 0.978 -13.358 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.324 0.554 -10.899 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.715 -0.160 -10.746 1.00 0.00 H new ATOM 1479 N GLY A 98 16.308 1.800 -12.732 1.00 0.00 N ATOM 1480 CA GLY A 98 15.261 1.513 -13.663 1.00 0.00 C ATOM 1481 C GLY A 98 14.103 0.852 -12.999 1.00 0.00 C ATOM 1482 O GLY A 98 13.162 1.533 -12.592 1.00 0.00 O ATOM 0 H GLY A 98 16.198 1.365 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.931 2.438 -14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.644 0.869 -14.455 1.00 0.00 H new ATOM 1486 N TYR A 99 14.226 -0.458 -12.722 1.00 0.00 N ATOM 1487 CA TYR A 99 13.089 -1.238 -12.343 1.00 0.00 C ATOM 1488 C TYR A 99 12.951 -1.381 -10.867 1.00 0.00 C ATOM 1489 O TYR A 99 13.937 -1.325 -10.133 1.00 0.00 O ATOM 1490 CB TYR A 99 13.223 -2.700 -12.803 1.00 0.00 C ATOM 1491 CG TYR A 99 13.292 -2.806 -14.288 1.00 0.00 C ATOM 1492 CD1 TYR A 99 12.169 -3.016 -15.052 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.551 -2.863 -14.838 1.00 0.00 C ATOM 1494 CE1 TYR A 99 12.297 -3.205 -16.408 1.00 0.00 C ATOM 1495 CE2 TYR A 99 14.674 -3.003 -16.200 1.00 0.00 C ATOM 1496 CZ TYR A 99 13.547 -3.139 -16.977 1.00 0.00 C ATOM 1497 OH TYR A 99 13.601 -3.303 -18.377 1.00 0.00 O ATOM 0 H TYR A 99 15.105 -0.974 -12.760 1.00 0.00 H new ATOM 0 HA TYR A 99 12.252 -0.707 -12.796 1.00 0.00 H new ATOM 0 HB2 TYR A 99 14.119 -3.139 -12.365 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.374 -3.276 -12.436 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.193 -3.032 -14.591 1.00 0.00 H new ATOM 0 HD2 TYR A 99 15.428 -2.799 -14.211 1.00 0.00 H new ATOM 0 HE1 TYR A 99 11.428 -3.403 -17.018 1.00 0.00 H new ATOM 0 HE2 TYR A 99 15.652 -3.006 -16.658 1.00 0.00 H new ATOM 0 HH TYR A 99 14.531 -3.238 -18.678 1.00 0.00 H new ATOM 1507 N ILE A 100 11.738 -1.629 -10.343 1.00 0.00 N ATOM 1508 CA ILE A 100 11.527 -2.301 -9.099 1.00 0.00 C ATOM 1509 C ILE A 100 11.422 -3.720 -9.543 1.00 0.00 C ATOM 1510 O ILE A 100 10.522 -4.044 -10.316 1.00 0.00 O ATOM 1511 CB ILE A 100 10.203 -1.996 -8.464 1.00 0.00 C ATOM 1512 CG1 ILE A 100 9.897 -0.499 -8.636 1.00 0.00 C ATOM 1513 CG2 ILE A 100 10.412 -2.275 -6.966 1.00 0.00 C ATOM 1514 CD1 ILE A 100 8.761 0.012 -7.751 1.00 0.00 C ATOM 0 H ILE A 100 10.871 -1.351 -10.803 1.00 0.00 H new ATOM 0 HA ILE A 100 12.303 -2.033 -8.382 1.00 0.00 H new ATOM 0 HB ILE A 100 9.391 -2.579 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 100 10.799 0.073 -8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.644 -0.308 -9.679 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.486 -2.076 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.696 -3.318 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.202 -1.629 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.609 1.076 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.845 -0.531 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.018 -0.144 -6.703 1.00 0.00 H new ATOM 1526 N SER A 101 12.312 -4.595 -9.042 1.00 0.00 N ATOM 1527 CA SER A 101 12.297 -5.999 -9.311 1.00 0.00 C ATOM 1528 C SER A 101 11.216 -6.595 -8.475 1.00 0.00 C ATOM 1529 O SER A 101 10.881 -6.042 -7.428 1.00 0.00 O ATOM 1530 CB SER A 101 13.702 -6.614 -9.202 1.00 0.00 C ATOM 1531 OG SER A 101 14.032 -7.114 -7.915 1.00 0.00 O ATOM 0 H SER A 101 13.073 -4.313 -8.424 1.00 0.00 H new ATOM 0 HA SER A 101 12.045 -6.229 -10.346 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.786 -7.426 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.437 -5.860 -9.483 1.00 0.00 H new ATOM 0 HG SER A 101 14.938 -7.488 -7.932 1.00 0.00 H new ATOM 1537 N ALA A 102 10.685 -7.774 -8.843 1.00 0.00 N ATOM 1538 CA ALA A 102 9.661 -8.454 -8.112 1.00 0.00 C ATOM 1539 C ALA A 102 10.081 -8.803 -6.725 1.00 0.00 C ATOM 1540 O ALA A 102 9.239 -8.779 -5.828 1.00 0.00 O ATOM 1541 CB ALA A 102 9.328 -9.799 -8.780 1.00 0.00 C ATOM 0 H ALA A 102 10.980 -8.273 -9.682 1.00 0.00 H new ATOM 0 HA ALA A 102 8.814 -7.768 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.547 -10.304 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.980 -9.623 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.221 -10.424 -8.805 1.00 0.00 H new ATOM 1547 N ALA A 103 11.391 -8.926 -6.446 1.00 0.00 N ATOM 1548 CA ALA A 103 11.816 -8.979 -5.082 1.00 0.00 C ATOM 1549 C ALA A 103 11.662 -7.652 -4.423 1.00 0.00 C ATOM 1550 O ALA A 103 11.123 -7.537 -3.323 1.00 0.00 O ATOM 1551 CB ALA A 103 13.231 -9.581 -5.088 1.00 0.00 C ATOM 0 H ALA A 103 12.136 -8.987 -7.140 1.00 0.00 H new ATOM 0 HA ALA A 103 11.192 -9.623 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 103 13.604 -9.644 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.200 -10.579 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.894 -8.947 -5.678 1.00 0.00 H new ATOM 1557 N GLU A 104 12.238 -6.591 -5.015 1.00 0.00 N ATOM 1558 CA GLU A 104 12.221 -5.309 -4.380 1.00 0.00 C ATOM 1559 C GLU A 104 10.848 -4.787 -4.131 1.00 0.00 C ATOM 1560 O GLU A 104 10.583 -4.197 -3.085 1.00 0.00 O ATOM 1561 CB GLU A 104 12.940 -4.204 -5.171 1.00 0.00 C ATOM 1562 CG GLU A 104 14.413 -4.422 -5.523 1.00 0.00 C ATOM 1563 CD GLU A 104 14.852 -3.424 -6.584 1.00 0.00 C ATOM 1564 OE1 GLU A 104 14.267 -3.313 -7.695 1.00 0.00 O ATOM 1565 OE2 GLU A 104 15.867 -2.720 -6.338 1.00 0.00 O ATOM 0 H GLU A 104 12.709 -6.618 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 104 12.743 -5.513 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.393 -4.048 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.866 -3.280 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.028 -4.309 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.561 -5.439 -5.886 1.00 0.00 H new ATOM 1572 N LEU A 105 9.931 -5.090 -5.067 1.00 0.00 N ATOM 1573 CA LEU A 105 8.525 -4.828 -5.063 1.00 0.00 C ATOM 1574 C LEU A 105 7.764 -5.460 -3.948 1.00 0.00 C ATOM 1575 O LEU A 105 6.718 -5.087 -3.419 1.00 0.00 O ATOM 1576 CB LEU A 105 7.817 -5.028 -6.414 1.00 0.00 C ATOM 1577 CG LEU A 105 6.446 -4.357 -6.609 1.00 0.00 C ATOM 1578 CD1 LEU A 105 6.487 -2.835 -6.825 1.00 0.00 C ATOM 1579 CD2 LEU A 105 5.520 -5.012 -7.648 1.00 0.00 C ATOM 0 H LEU A 105 10.210 -5.573 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 105 8.507 -3.755 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.482 -4.666 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.692 -6.099 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 105 5.998 -4.538 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.472 -2.458 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.946 -2.357 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.072 -2.610 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.583 -4.457 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.004 -5.002 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.315 -6.042 -7.355 1.00 0.00 H new ATOM 1591 N ARG A 106 8.325 -6.580 -3.460 1.00 0.00 N ATOM 1592 CA ARG A 106 7.791 -7.216 -2.296 1.00 0.00 C ATOM 1593 C ARG A 106 8.222 -6.521 -1.051 1.00 0.00 C ATOM 1594 O ARG A 106 7.409 -6.121 -0.219 1.00 0.00 O ATOM 1595 CB ARG A 106 8.260 -8.681 -2.252 1.00 0.00 C ATOM 1596 CG ARG A 106 7.896 -9.503 -1.014 1.00 0.00 C ATOM 1597 CD ARG A 106 8.055 -11.014 -1.195 1.00 0.00 C ATOM 1598 NE ARG A 106 7.362 -11.594 -0.011 1.00 0.00 N ATOM 1599 CZ ARG A 106 7.111 -12.905 0.277 1.00 0.00 C ATOM 1600 NH1 ARG A 106 7.416 -13.965 -0.527 1.00 0.00 N ATOM 1601 NH2 ARG A 106 6.708 -13.249 1.534 1.00 0.00 N ATOM 0 H ARG A 106 9.139 -7.041 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 106 6.703 -7.170 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.853 -9.191 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.345 -8.690 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.521 -9.181 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.863 -9.288 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.604 -11.354 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.105 -11.304 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 106 7.030 -10.920 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.870 -13.809 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.190 -14.914 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.597 -12.530 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.518 -14.225 1.759 1.00 0.00 H new ATOM 1615 N HIS A 107 9.548 -6.319 -0.951 1.00 0.00 N ATOM 1616 CA HIS A 107 10.168 -5.639 0.143 1.00 0.00 C ATOM 1617 C HIS A 107 9.594 -4.296 0.440 1.00 0.00 C ATOM 1618 O HIS A 107 9.166 -4.005 1.556 1.00 0.00 O ATOM 1619 CB HIS A 107 11.690 -5.560 -0.069 1.00 0.00 C ATOM 1620 CG HIS A 107 12.427 -4.823 1.010 1.00 0.00 C ATOM 1621 ND1 HIS A 107 13.098 -5.386 2.076 1.00 0.00 N ATOM 1622 CD2 HIS A 107 12.599 -3.486 1.191 1.00 0.00 C ATOM 1623 CE1 HIS A 107 13.578 -4.352 2.819 1.00 0.00 C ATOM 1624 NE2 HIS A 107 13.365 -3.161 2.292 1.00 0.00 N ATOM 0 H HIS A 107 10.211 -6.640 -1.656 1.00 0.00 H new ATOM 0 HA HIS A 107 9.954 -6.238 1.028 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.088 -6.572 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.887 -5.074 -1.024 1.00 0.00 H new ATOM 0 HD1 HIS A 107 13.212 -6.381 2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.174 -2.744 0.531 1.00 0.00 H new ATOM 0 HE1 HIS A 107 14.090 -4.494 3.760 1.00 0.00 H new ATOM 1632 N VAL A 108 9.386 -3.445 -0.580 1.00 0.00 N ATOM 1633 CA VAL A 108 8.777 -2.152 -0.521 1.00 0.00 C ATOM 1634 C VAL A 108 7.407 -2.163 0.065 1.00 0.00 C ATOM 1635 O VAL A 108 7.165 -1.583 1.122 1.00 0.00 O ATOM 1636 CB VAL A 108 8.883 -1.365 -1.793 1.00 0.00 C ATOM 1637 CG1 VAL A 108 8.149 -0.019 -1.663 1.00 0.00 C ATOM 1638 CG2 VAL A 108 10.395 -1.143 -1.964 1.00 0.00 C ATOM 0 H VAL A 108 9.670 -3.685 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 108 9.385 -1.596 0.193 1.00 0.00 H new ATOM 0 HB VAL A 108 8.432 -1.877 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 108 8.238 0.536 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 108 7.096 -0.198 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.592 0.560 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.578 -0.572 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.781 -0.593 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.899 -2.107 -2.033 1.00 0.00 H new ATOM 1648 N MET A 109 6.478 -2.951 -0.507 1.00 0.00 N ATOM 1649 CA MET A 109 5.138 -2.933 -0.010 1.00 0.00 C ATOM 1650 C MET A 109 5.007 -3.702 1.260 1.00 0.00 C ATOM 1651 O MET A 109 4.093 -3.337 1.998 1.00 0.00 O ATOM 1652 CB MET A 109 4.269 -3.536 -1.127 1.00 0.00 C ATOM 1653 CG MET A 109 3.988 -2.550 -2.263 1.00 0.00 C ATOM 1654 SD MET A 109 5.299 -2.033 -3.412 1.00 0.00 S ATOM 1655 CE MET A 109 4.211 -0.863 -4.274 1.00 0.00 C ATOM 0 H MET A 109 6.647 -3.583 -1.290 1.00 0.00 H new ATOM 0 HA MET A 109 4.824 -1.918 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 109 4.767 -4.417 -1.532 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.323 -3.872 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.188 -2.980 -2.866 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.591 -1.644 -1.806 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.766 -0.370 -5.072 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.364 -1.400 -4.700 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.849 -0.115 -3.568 1.00 0.00 H new ATOM 1665 N THR A 110 5.989 -4.534 1.652 1.00 0.00 N ATOM 1666 CA THR A 110 6.058 -5.100 2.963 1.00 0.00 C ATOM 1667 C THR A 110 6.405 -4.123 4.033 1.00 0.00 C ATOM 1668 O THR A 110 5.690 -4.085 5.034 1.00 0.00 O ATOM 1669 CB THR A 110 6.949 -6.299 3.106 1.00 0.00 C ATOM 1670 OG1 THR A 110 6.767 -7.288 2.104 1.00 0.00 O ATOM 1671 CG2 THR A 110 6.757 -6.948 4.487 1.00 0.00 C ATOM 0 H THR A 110 6.754 -4.820 1.042 1.00 0.00 H new ATOM 0 HA THR A 110 5.029 -5.434 3.100 1.00 0.00 H new ATOM 0 HB THR A 110 7.963 -5.916 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.165 -6.979 1.263 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.410 -7.816 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.005 -6.227 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.719 -7.262 4.600 1.00 0.00 H new ATOM 1679 N ASN A 111 7.496 -3.371 3.802 1.00 0.00 N ATOM 1680 CA ASN A 111 8.002 -2.521 4.835 1.00 0.00 C ATOM 1681 C ASN A 111 7.156 -1.307 5.010 1.00 0.00 C ATOM 1682 O ASN A 111 6.923 -0.744 6.078 1.00 0.00 O ATOM 1683 CB ASN A 111 9.470 -2.082 4.710 1.00 0.00 C ATOM 1684 CG ASN A 111 9.917 -1.598 6.082 1.00 0.00 C ATOM 1685 OD1 ASN A 111 9.599 -2.071 7.172 1.00 0.00 O ATOM 1686 ND2 ASN A 111 10.898 -0.656 6.080 1.00 0.00 N ATOM 0 H ASN A 111 8.016 -3.350 2.925 1.00 0.00 H new ATOM 0 HA ASN A 111 7.959 -3.167 5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 111 10.092 -2.912 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.572 -1.288 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.334 -0.372 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.197 -0.233 5.201 1.00 0.00 H new ATOM 1693 N LEU A 112 6.490 -0.902 3.913 1.00 0.00 N ATOM 1694 CA LEU A 112 5.486 0.115 3.885 1.00 0.00 C ATOM 1695 C LEU A 112 4.292 -0.239 4.703 1.00 0.00 C ATOM 1696 O LEU A 112 3.795 0.604 5.449 1.00 0.00 O ATOM 1697 CB LEU A 112 5.000 0.464 2.468 1.00 0.00 C ATOM 1698 CG LEU A 112 4.222 1.787 2.369 1.00 0.00 C ATOM 1699 CD1 LEU A 112 5.169 2.977 2.594 1.00 0.00 C ATOM 1700 CD2 LEU A 112 3.611 1.922 0.963 1.00 0.00 C ATOM 0 H LEU A 112 6.663 -1.309 2.994 1.00 0.00 H new ATOM 0 HA LEU A 112 5.986 0.985 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.863 0.514 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.365 -0.344 2.106 1.00 0.00 H new ATOM 0 HG LEU A 112 3.440 1.785 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.607 3.908 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.620 2.901 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.953 2.967 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.060 2.860 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.407 1.913 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.933 1.089 0.779 1.00 0.00 H new ATOM 1712 N GLY A 113 3.811 -1.493 4.631 1.00 0.00 N ATOM 1713 CA GLY A 113 2.793 -1.807 5.586 1.00 0.00 C ATOM 1714 C GLY A 113 2.255 -3.196 5.626 1.00 0.00 C ATOM 1715 O GLY A 113 1.742 -3.728 6.609 1.00 0.00 O ATOM 0 H GLY A 113 4.091 -2.227 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.186 -1.576 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.955 -1.133 5.410 1.00 0.00 H new ATOM 1719 N GLU A 114 2.258 -3.883 4.469 1.00 0.00 N ATOM 1720 CA GLU A 114 1.383 -4.991 4.246 1.00 0.00 C ATOM 1721 C GLU A 114 2.014 -6.280 4.647 1.00 0.00 C ATOM 1722 O GLU A 114 3.240 -6.354 4.603 1.00 0.00 O ATOM 1723 CB GLU A 114 0.950 -5.010 2.771 1.00 0.00 C ATOM 1724 CG GLU A 114 -0.031 -3.875 2.469 1.00 0.00 C ATOM 1725 CD GLU A 114 -1.325 -4.127 3.229 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -1.951 -5.217 3.131 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -1.783 -3.157 3.889 1.00 0.00 O ATOM 0 H GLU A 114 2.872 -3.668 3.683 1.00 0.00 H new ATOM 0 HA GLU A 114 0.499 -4.871 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.827 -4.917 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.485 -5.968 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.398 -2.917 2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.227 -3.821 1.398 1.00 0.00 H new ATOM 1734 N LYS A 115 1.230 -7.309 5.015 1.00 0.00 N ATOM 1735 CA LYS A 115 1.721 -8.642 5.183 1.00 0.00 C ATOM 1736 C LYS A 115 1.596 -9.309 3.856 1.00 0.00 C ATOM 1737 O LYS A 115 0.489 -9.561 3.383 1.00 0.00 O ATOM 1738 CB LYS A 115 0.964 -9.483 6.224 1.00 0.00 C ATOM 1739 CG LYS A 115 0.892 -8.789 7.586 1.00 0.00 C ATOM 1740 CD LYS A 115 0.492 -9.680 8.763 1.00 0.00 C ATOM 1741 CE LYS A 115 -0.585 -9.208 9.742 1.00 0.00 C ATOM 1742 NZ LYS A 115 -1.946 -9.236 9.162 1.00 0.00 N ATOM 0 H LYS A 115 0.232 -7.213 5.200 1.00 0.00 H new ATOM 0 HA LYS A 115 2.745 -8.572 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.046 -9.680 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.456 -10.449 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.866 -8.349 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.179 -7.967 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.162 -10.634 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.394 -9.878 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.562 -9.839 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.355 -8.193 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.632 -8.906 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.982 -8.614 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.182 -10.208 8.878 1.00 0.00 H new ATOM 1756 N LEU A 116 2.711 -9.743 3.241 1.00 0.00 N ATOM 1757 CA LEU A 116 2.735 -10.526 2.045 1.00 0.00 C ATOM 1758 C LEU A 116 3.326 -11.857 2.360 1.00 0.00 C ATOM 1759 O LEU A 116 4.438 -12.026 2.858 1.00 0.00 O ATOM 1760 CB LEU A 116 3.551 -9.924 0.889 1.00 0.00 C ATOM 1761 CG LEU A 116 3.337 -8.408 0.740 1.00 0.00 C ATOM 1762 CD1 LEU A 116 4.336 -7.658 -0.157 1.00 0.00 C ATOM 1763 CD2 LEU A 116 1.935 -7.953 0.299 1.00 0.00 C ATOM 0 H LEU A 116 3.644 -9.536 3.597 1.00 0.00 H new ATOM 0 HA LEU A 116 1.700 -10.578 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.610 -10.123 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.275 -10.419 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 116 3.502 -8.135 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.079 -6.599 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.344 -7.778 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.294 -8.065 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.910 -6.865 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.702 -8.384 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.198 -8.287 1.029 1.00 0.00 H new ATOM 1775 N THR A 117 2.594 -12.898 1.923 1.00 0.00 N ATOM 1776 CA THR A 117 2.997 -14.269 1.871 1.00 0.00 C ATOM 1777 C THR A 117 3.575 -14.505 0.518 1.00 0.00 C ATOM 1778 O THR A 117 3.585 -13.605 -0.320 1.00 0.00 O ATOM 1779 CB THR A 117 1.930 -15.275 2.187 1.00 0.00 C ATOM 1780 OG1 THR A 117 0.868 -15.262 1.244 1.00 0.00 O ATOM 1781 CG2 THR A 117 1.460 -14.861 3.592 1.00 0.00 C ATOM 0 H THR A 117 1.643 -12.768 1.578 1.00 0.00 H new ATOM 0 HA THR A 117 3.725 -14.425 2.667 1.00 0.00 H new ATOM 0 HB THR A 117 2.299 -16.300 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.201 -15.935 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.672 -15.536 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.299 -14.912 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.076 -13.842 3.561 1.00 0.00 H new ATOM 1789 N ASP A 118 4.148 -15.686 0.226 1.00 0.00 N ATOM 1790 CA ASP A 118 4.551 -16.151 -1.064 1.00 0.00 C ATOM 1791 C ASP A 118 3.458 -16.259 -2.071 1.00 0.00 C ATOM 1792 O ASP A 118 3.757 -15.884 -3.204 1.00 0.00 O ATOM 1793 CB ASP A 118 5.234 -17.512 -0.849 1.00 0.00 C ATOM 1794 CG ASP A 118 6.459 -17.420 0.050 1.00 0.00 C ATOM 1795 OD1 ASP A 118 7.359 -16.627 -0.334 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.421 -17.905 1.212 1.00 0.00 O ATOM 0 H ASP A 118 4.345 -16.372 0.955 1.00 0.00 H new ATOM 0 HA ASP A 118 5.222 -15.408 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.518 -18.208 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.527 -17.923 -1.815 1.00 0.00 H new ATOM 1801 N GLU A 119 2.238 -16.718 -1.739 1.00 0.00 N ATOM 1802 CA GLU A 119 1.132 -16.682 -2.645 1.00 0.00 C ATOM 1803 C GLU A 119 0.611 -15.298 -2.830 1.00 0.00 C ATOM 1804 O GLU A 119 0.293 -14.938 -3.962 1.00 0.00 O ATOM 1805 CB GLU A 119 -0.095 -17.417 -2.077 1.00 0.00 C ATOM 1806 CG GLU A 119 0.042 -18.924 -1.851 1.00 0.00 C ATOM 1807 CD GLU A 119 -1.167 -19.494 -1.124 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -1.404 -19.158 0.067 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -1.787 -20.451 -1.662 1.00 0.00 O ATOM 0 H GLU A 119 2.016 -17.120 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 119 1.522 -17.126 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.357 -16.954 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.933 -17.251 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.161 -19.427 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.943 -19.125 -1.272 1.00 0.00 H new ATOM 1816 N GLU A 120 0.600 -14.487 -1.757 1.00 0.00 N ATOM 1817 CA GLU A 120 0.096 -13.149 -1.755 1.00 0.00 C ATOM 1818 C GLU A 120 0.755 -12.335 -2.815 1.00 0.00 C ATOM 1819 O GLU A 120 0.147 -11.674 -3.656 1.00 0.00 O ATOM 1820 CB GLU A 120 0.228 -12.433 -0.400 1.00 0.00 C ATOM 1821 CG GLU A 120 -0.420 -11.058 -0.222 1.00 0.00 C ATOM 1822 CD GLU A 120 -1.917 -11.332 -0.252 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -2.442 -12.169 0.530 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -2.656 -10.864 -1.160 1.00 0.00 O ATOM 0 H GLU A 120 0.960 -14.778 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.971 -13.241 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.185 -13.093 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.292 -12.326 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.120 -10.597 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.126 -10.375 -1.019 1.00 0.00 H new ATOM 1831 N VAL A 121 2.099 -12.367 -2.860 1.00 0.00 N ATOM 1832 CA VAL A 121 2.904 -11.649 -3.798 1.00 0.00 C ATOM 1833 C VAL A 121 2.751 -12.135 -5.198 1.00 0.00 C ATOM 1834 O VAL A 121 2.707 -11.382 -6.169 1.00 0.00 O ATOM 1835 CB VAL A 121 4.344 -11.461 -3.423 1.00 0.00 C ATOM 1836 CG1 VAL A 121 5.336 -12.564 -3.830 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.798 -10.129 -4.042 1.00 0.00 C ATOM 0 H VAL A 121 2.652 -12.923 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 121 2.484 -10.644 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 121 4.368 -11.490 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.337 -12.295 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.041 -13.507 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.334 -12.673 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.844 -9.950 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.684 -10.174 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.188 -9.317 -3.646 1.00 0.00 H new ATOM 1847 N ASP A 122 2.584 -13.458 -5.375 1.00 0.00 N ATOM 1848 CA ASP A 122 2.385 -13.898 -6.721 1.00 0.00 C ATOM 1849 C ASP A 122 1.132 -13.359 -7.321 1.00 0.00 C ATOM 1850 O ASP A 122 1.101 -12.904 -8.464 1.00 0.00 O ATOM 1851 CB ASP A 122 2.258 -15.429 -6.780 1.00 0.00 C ATOM 1852 CG ASP A 122 3.607 -16.132 -6.741 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.591 -15.555 -7.277 1.00 0.00 O ATOM 1854 OD2 ASP A 122 3.731 -17.240 -6.154 1.00 0.00 O ATOM 0 H ASP A 122 2.585 -14.175 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 122 3.252 -13.537 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.650 -15.772 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.732 -15.711 -7.692 1.00 0.00 H new ATOM 1859 N GLU A 123 0.013 -13.341 -6.576 1.00 0.00 N ATOM 1860 CA GLU A 123 -1.198 -12.811 -7.120 1.00 0.00 C ATOM 1861 C GLU A 123 -1.121 -11.323 -7.158 1.00 0.00 C ATOM 1862 O GLU A 123 -1.757 -10.705 -8.009 1.00 0.00 O ATOM 1863 CB GLU A 123 -2.435 -13.265 -6.326 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.606 -14.782 -6.235 1.00 0.00 C ATOM 1865 CD GLU A 123 -2.676 -15.434 -7.609 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -3.528 -14.993 -8.425 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -1.897 -16.393 -7.857 1.00 0.00 O ATOM 0 H GLU A 123 -0.055 -13.685 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.308 -13.198 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -2.374 -12.857 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.325 -12.838 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.773 -15.207 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -3.515 -15.011 -5.679 1.00 0.00 H new ATOM 1874 N MET A 124 -0.276 -10.650 -6.356 1.00 0.00 N ATOM 1875 CA MET A 124 0.003 -9.279 -6.651 1.00 0.00 C ATOM 1876 C MET A 124 0.783 -9.045 -7.899 1.00 0.00 C ATOM 1877 O MET A 124 0.474 -8.144 -8.677 1.00 0.00 O ATOM 1878 CB MET A 124 0.826 -8.691 -5.492 1.00 0.00 C ATOM 1879 CG MET A 124 1.231 -7.223 -5.633 1.00 0.00 C ATOM 1880 SD MET A 124 2.394 -6.497 -4.440 1.00 0.00 S ATOM 1881 CE MET A 124 4.095 -6.913 -4.923 1.00 0.00 C ATOM 0 H MET A 124 0.196 -11.034 -5.537 1.00 0.00 H new ATOM 0 HA MET A 124 -0.969 -8.806 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.252 -8.802 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.731 -9.287 -5.376 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.661 -7.097 -6.627 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.318 -6.628 -5.603 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.639 -7.285 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.076 -7.681 -5.696 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.592 -6.023 -5.308 1.00 0.00 H new ATOM 1891 N ILE A 125 1.780 -9.894 -8.205 1.00 0.00 N ATOM 1892 CA ILE A 125 2.634 -9.790 -9.348 1.00 0.00 C ATOM 1893 C ILE A 125 1.859 -9.981 -10.606 1.00 0.00 C ATOM 1894 O ILE A 125 2.091 -9.282 -11.591 1.00 0.00 O ATOM 1895 CB ILE A 125 3.828 -10.680 -9.169 1.00 0.00 C ATOM 1896 CG1 ILE A 125 4.846 -10.110 -8.167 1.00 0.00 C ATOM 1897 CG2 ILE A 125 4.527 -10.973 -10.507 1.00 0.00 C ATOM 1898 CD1 ILE A 125 5.825 -11.115 -7.563 1.00 0.00 C ATOM 0 H ILE A 125 2.003 -10.700 -7.621 1.00 0.00 H new ATOM 0 HA ILE A 125 3.041 -8.783 -9.442 1.00 0.00 H new ATOM 0 HB ILE A 125 3.441 -11.614 -8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.420 -9.329 -8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.298 -9.633 -7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 125 5.387 -11.621 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.829 -11.469 -11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.862 -10.037 -10.955 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.494 -10.601 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.271 -11.885 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.410 -11.577 -8.359 1.00 0.00 H new ATOM 1910 N ARG A 126 0.909 -10.933 -10.626 1.00 0.00 N ATOM 1911 CA ARG A 126 -0.119 -11.098 -11.606 1.00 0.00 C ATOM 1912 C ARG A 126 -0.792 -9.864 -12.101 1.00 0.00 C ATOM 1913 O ARG A 126 -0.947 -9.707 -13.311 1.00 0.00 O ATOM 1914 CB ARG A 126 -1.141 -12.093 -11.032 1.00 0.00 C ATOM 1915 CG ARG A 126 -2.139 -12.550 -12.099 1.00 0.00 C ATOM 1916 CD ARG A 126 -3.245 -13.501 -11.636 1.00 0.00 C ATOM 1917 NE ARG A 126 -2.740 -14.650 -10.833 1.00 0.00 N ATOM 1918 CZ ARG A 126 -1.981 -15.660 -11.350 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -1.555 -15.787 -12.641 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -1.351 -16.481 -10.460 1.00 0.00 N ATOM 0 H ARG A 126 0.857 -11.644 -9.897 1.00 0.00 H new ATOM 0 HA ARG A 126 0.373 -11.465 -12.506 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.619 -12.959 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.678 -11.628 -10.205 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.608 -11.665 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.583 -13.037 -12.900 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.969 -12.943 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.775 -13.882 -12.509 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.975 -14.684 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.803 -15.079 -13.332 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.989 -16.590 -12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.459 -16.325 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.772 -17.250 -10.797 1.00 0.00 H new ATOM 1934 N GLU A 127 -1.248 -8.981 -11.193 1.00 0.00 N ATOM 1935 CA GLU A 127 -1.765 -7.669 -11.428 1.00 0.00 C ATOM 1936 C GLU A 127 -0.746 -6.600 -11.619 1.00 0.00 C ATOM 1937 O GLU A 127 -0.891 -5.714 -12.460 1.00 0.00 O ATOM 1938 CB GLU A 127 -2.779 -7.387 -10.306 1.00 0.00 C ATOM 1939 CG GLU A 127 -3.435 -6.026 -10.547 1.00 0.00 C ATOM 1940 CD GLU A 127 -4.586 -5.799 -9.578 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -4.358 -5.464 -8.385 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -5.751 -5.908 -10.046 1.00 0.00 O ATOM 0 H GLU A 127 -1.254 -9.211 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.256 -7.648 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.537 -8.170 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.279 -7.396 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.694 -5.235 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.801 -5.971 -11.572 1.00 0.00 H new ATOM 1949 N ALA A 128 0.330 -6.537 -10.815 1.00 0.00 N ATOM 1950 CA ALA A 128 1.261 -5.452 -10.793 1.00 0.00 C ATOM 1951 C ALA A 128 2.016 -5.265 -12.065 1.00 0.00 C ATOM 1952 O ALA A 128 2.180 -4.133 -12.516 1.00 0.00 O ATOM 1953 CB ALA A 128 2.136 -5.653 -9.544 1.00 0.00 C ATOM 0 H ALA A 128 0.561 -7.275 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 128 0.733 -4.501 -10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.868 -4.848 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.507 -5.645 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.654 -6.609 -9.613 1.00 0.00 H new ATOM 1959 N ASP A 129 2.520 -6.371 -12.641 1.00 0.00 N ATOM 1960 CA ASP A 129 3.429 -6.303 -13.743 1.00 0.00 C ATOM 1961 C ASP A 129 2.638 -6.230 -15.003 1.00 0.00 C ATOM 1962 O ASP A 129 1.588 -6.852 -15.161 1.00 0.00 O ATOM 1963 CB ASP A 129 4.485 -7.417 -13.836 1.00 0.00 C ATOM 1964 CG ASP A 129 5.642 -7.004 -14.735 1.00 0.00 C ATOM 1965 OD1 ASP A 129 5.589 -7.168 -15.984 1.00 0.00 O ATOM 1966 OD2 ASP A 129 6.633 -6.397 -14.249 1.00 0.00 O ATOM 0 H ASP A 129 2.296 -7.320 -12.341 1.00 0.00 H new ATOM 0 HA ASP A 129 4.025 -5.406 -13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.860 -7.650 -12.840 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.026 -8.326 -14.224 1.00 0.00 H new ATOM 1971 N ILE A 130 3.039 -5.376 -15.962 1.00 0.00 N ATOM 1972 CA ILE A 130 2.366 -5.196 -17.210 1.00 0.00 C ATOM 1973 C ILE A 130 2.651 -6.271 -18.201 1.00 0.00 C ATOM 1974 O ILE A 130 1.737 -6.939 -18.682 1.00 0.00 O ATOM 1975 CB ILE A 130 2.732 -3.827 -17.703 1.00 0.00 C ATOM 1976 CG1 ILE A 130 2.094 -2.734 -16.830 1.00 0.00 C ATOM 1977 CG2 ILE A 130 2.338 -3.577 -19.169 1.00 0.00 C ATOM 1978 CD1 ILE A 130 0.573 -2.614 -16.906 1.00 0.00 C ATOM 0 H ILE A 130 3.866 -4.787 -15.863 1.00 0.00 H new ATOM 0 HA ILE A 130 1.288 -5.273 -17.066 1.00 0.00 H new ATOM 0 HB ILE A 130 3.819 -3.781 -17.636 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.372 -2.918 -15.792 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.528 -1.774 -17.111 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.633 -2.568 -19.458 1.00 0.00 H new ATOM 0 HG22 ILE A 130 2.843 -4.300 -19.810 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.259 -3.686 -19.279 1.00 0.00 H new ATOM 0 HD11 ILE A 130 0.238 -1.811 -16.249 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.276 -2.392 -17.931 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.118 -3.553 -16.592 1.00 0.00 H new ATOM 1990 N ASP A 131 3.915 -6.699 -18.374 1.00 0.00 N ATOM 1991 CA ASP A 131 4.303 -7.763 -19.246 1.00 0.00 C ATOM 1992 C ASP A 131 4.100 -9.149 -18.739 1.00 0.00 C ATOM 1993 O ASP A 131 4.205 -10.090 -19.524 1.00 0.00 O ATOM 1994 CB ASP A 131 5.758 -7.633 -19.727 1.00 0.00 C ATOM 1995 CG ASP A 131 6.149 -6.163 -19.780 1.00 0.00 C ATOM 1996 OD1 ASP A 131 6.593 -5.642 -18.722 1.00 0.00 O ATOM 1997 OD2 ASP A 131 6.064 -5.575 -20.891 1.00 0.00 O ATOM 0 H ASP A 131 4.704 -6.282 -17.881 1.00 0.00 H new ATOM 0 HA ASP A 131 3.605 -7.631 -20.073 1.00 0.00 H new ATOM 0 HB2 ASP A 131 6.424 -8.173 -19.054 1.00 0.00 H new ATOM 0 HB3 ASP A 131 5.867 -8.085 -20.713 1.00 0.00 H new ATOM 2002 N GLY A 132 4.077 -9.253 -17.398 1.00 0.00 N ATOM 2003 CA GLY A 132 4.158 -10.482 -16.672 1.00 0.00 C ATOM 2004 C GLY A 132 5.571 -10.937 -16.548 1.00 0.00 C ATOM 2005 O GLY A 132 5.840 -12.123 -16.365 1.00 0.00 O ATOM 0 H GLY A 132 3.998 -8.438 -16.790 1.00 0.00 H new ATOM 0 HA2 GLY A 132 3.726 -10.351 -15.680 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.569 -11.247 -17.178 1.00 0.00 H new ATOM 2009 N ASP A 133 6.565 -10.035 -16.635 1.00 0.00 N ATOM 2010 CA ASP A 133 7.947 -10.357 -16.459 1.00 0.00 C ATOM 2011 C ASP A 133 8.413 -10.282 -15.046 1.00 0.00 C ATOM 2012 O ASP A 133 9.313 -10.966 -14.560 1.00 0.00 O ATOM 2013 CB ASP A 133 8.837 -9.632 -17.482 1.00 0.00 C ATOM 2014 CG ASP A 133 9.007 -8.126 -17.341 1.00 0.00 C ATOM 2015 OD1 ASP A 133 8.743 -7.511 -16.273 1.00 0.00 O ATOM 2016 OD2 ASP A 133 9.495 -7.566 -18.358 1.00 0.00 O ATOM 0 H ASP A 133 6.401 -9.048 -16.835 1.00 0.00 H new ATOM 0 HA ASP A 133 8.053 -11.418 -16.686 1.00 0.00 H new ATOM 0 HB2 ASP A 133 9.828 -10.085 -17.443 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.434 -9.831 -18.475 1.00 0.00 H new ATOM 2021 N GLY A 134 7.717 -9.408 -14.297 1.00 0.00 N ATOM 2022 CA GLY A 134 7.673 -9.301 -12.872 1.00 0.00 C ATOM 2023 C GLY A 134 8.400 -8.100 -12.372 1.00 0.00 C ATOM 2024 O GLY A 134 8.265 -7.726 -11.208 1.00 0.00 O ATOM 0 H GLY A 134 7.125 -8.705 -14.739 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.634 -9.256 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.108 -10.197 -12.429 1.00 0.00 H new ATOM 2028 N GLN A 135 9.151 -7.484 -13.303 1.00 0.00 N ATOM 2029 CA GLN A 135 9.940 -6.356 -12.915 1.00 0.00 C ATOM 2030 C GLN A 135 9.241 -5.086 -13.258 1.00 0.00 C ATOM 2031 O GLN A 135 8.990 -4.810 -14.430 1.00 0.00 O ATOM 2032 CB GLN A 135 11.412 -6.341 -13.358 1.00 0.00 C ATOM 2033 CG GLN A 135 11.705 -6.565 -14.843 1.00 0.00 C ATOM 2034 CD GLN A 135 13.186 -6.439 -15.173 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.012 -6.268 -14.278 1.00 0.00 O ATOM 2036 NE2 GLN A 135 13.544 -6.839 -16.423 1.00 0.00 N ATOM 0 H GLN A 135 9.213 -7.752 -14.285 1.00 0.00 H new ATOM 0 HA GLN A 135 10.027 -6.457 -11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.840 -5.380 -13.072 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.942 -7.107 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.355 -7.556 -15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.142 -5.842 -15.434 1.00 0.00 H new ATOM 0 HE21 GLN A 135 12.831 -6.971 -17.140 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.526 -7.007 -16.643 1.00 0.00 H new ATOM 2045 N VAL A 136 8.844 -4.239 -12.292 1.00 0.00 N ATOM 2046 CA VAL A 136 7.991 -3.118 -12.539 1.00 0.00 C ATOM 2047 C VAL A 136 8.831 -1.904 -12.740 1.00 0.00 C ATOM 2048 O VAL A 136 9.599 -1.532 -11.854 1.00 0.00 O ATOM 2049 CB VAL A 136 6.968 -2.855 -11.474 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.518 -1.413 -11.185 1.00 0.00 C ATOM 2051 CG2 VAL A 136 5.802 -3.849 -11.612 1.00 0.00 C ATOM 0 H VAL A 136 9.122 -4.335 -11.316 1.00 0.00 H new ATOM 0 HA VAL A 136 7.419 -3.365 -13.433 1.00 0.00 H new ATOM 0 HB VAL A 136 7.523 -3.030 -10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 136 5.776 -1.416 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.378 -0.818 -10.879 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.080 -0.981 -12.085 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.063 -3.653 -10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.339 -3.733 -12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.177 -4.867 -11.506 1.00 0.00 H new ATOM 2061 N ASN A 137 8.730 -1.231 -13.900 1.00 0.00 N ATOM 2062 CA ASN A 137 9.427 -0.037 -14.265 1.00 0.00 C ATOM 2063 C ASN A 137 8.557 1.145 -14.006 1.00 0.00 C ATOM 2064 O ASN A 137 7.529 1.038 -13.339 1.00 0.00 O ATOM 2065 CB ASN A 137 9.925 -0.170 -15.715 1.00 0.00 C ATOM 2066 CG ASN A 137 11.128 0.684 -16.088 1.00 0.00 C ATOM 2067 OD1 ASN A 137 10.979 1.822 -16.529 1.00 0.00 O ATOM 2068 ND2 ASN A 137 12.373 0.208 -15.816 1.00 0.00 N ATOM 0 H ASN A 137 8.109 -1.550 -14.643 1.00 0.00 H new ATOM 0 HA ASN A 137 10.317 0.116 -13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.176 -1.215 -15.898 1.00 0.00 H new ATOM 0 HB3 ASN A 137 9.103 0.083 -16.385 1.00 0.00 H new ATOM 0 HD21 ASN A 137 13.190 0.796 -15.978 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.489 -0.737 -15.450 1.00 0.00 H new ATOM 2075 N TYR A 138 8.896 2.318 -14.571 1.00 0.00 N ATOM 2076 CA TYR A 138 8.237 3.542 -14.238 1.00 0.00 C ATOM 2077 C TYR A 138 6.810 3.536 -14.668 1.00 0.00 C ATOM 2078 O TYR A 138 5.860 3.776 -13.925 1.00 0.00 O ATOM 2079 CB TYR A 138 9.087 4.774 -14.592 1.00 0.00 C ATOM 2080 CG TYR A 138 8.503 6.044 -14.076 1.00 0.00 C ATOM 2081 CD1 TYR A 138 8.105 6.073 -12.760 1.00 0.00 C ATOM 2082 CD2 TYR A 138 8.119 7.054 -14.927 1.00 0.00 C ATOM 2083 CE1 TYR A 138 7.357 7.101 -12.237 1.00 0.00 C ATOM 2084 CE2 TYR A 138 7.341 8.082 -14.451 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.979 8.081 -13.124 1.00 0.00 C ATOM 2086 OH TYR A 138 6.218 9.147 -12.600 1.00 0.00 O ATOM 0 H TYR A 138 9.635 2.418 -15.266 1.00 0.00 H new ATOM 0 HA TYR A 138 8.156 3.627 -13.154 1.00 0.00 H new ATOM 0 HB2 TYR A 138 10.090 4.648 -14.184 1.00 0.00 H new ATOM 0 HB3 TYR A 138 9.190 4.840 -15.675 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.391 5.257 -12.113 1.00 0.00 H new ATOM 0 HD2 TYR A 138 8.427 7.039 -15.962 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.083 7.137 -11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 138 7.019 8.877 -15.108 1.00 0.00 H new ATOM 0 HH TYR A 138 6.008 9.782 -13.316 1.00 0.00 H new ATOM 2096 N GLU A 139 6.598 3.284 -15.972 1.00 0.00 N ATOM 2097 CA GLU A 139 5.297 3.364 -16.559 1.00 0.00 C ATOM 2098 C GLU A 139 4.314 2.387 -16.011 1.00 0.00 C ATOM 2099 O GLU A 139 3.123 2.548 -15.753 1.00 0.00 O ATOM 2100 CB GLU A 139 5.280 3.273 -18.094 1.00 0.00 C ATOM 2101 CG GLU A 139 5.848 4.522 -18.770 1.00 0.00 C ATOM 2102 CD GLU A 139 7.367 4.525 -18.871 1.00 0.00 C ATOM 2103 OE1 GLU A 139 7.843 3.625 -19.614 1.00 0.00 O ATOM 2104 OE2 GLU A 139 8.073 5.454 -18.396 1.00 0.00 O ATOM 0 H GLU A 139 7.336 3.022 -16.625 1.00 0.00 H new ATOM 0 HA GLU A 139 4.985 4.368 -16.272 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.856 2.402 -18.408 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.256 3.117 -18.432 1.00 0.00 H new ATOM 0 HG2 GLU A 139 5.426 4.606 -19.771 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.528 5.403 -18.214 1.00 0.00 H new ATOM 2111 N GLU A 140 4.879 1.262 -15.537 1.00 0.00 N ATOM 2112 CA GLU A 140 4.182 0.229 -14.836 1.00 0.00 C ATOM 2113 C GLU A 140 3.686 0.692 -13.510 1.00 0.00 C ATOM 2114 O GLU A 140 2.645 0.216 -13.059 1.00 0.00 O ATOM 2115 CB GLU A 140 5.076 -1.021 -14.787 1.00 0.00 C ATOM 2116 CG GLU A 140 5.737 -1.363 -16.124 1.00 0.00 C ATOM 2117 CD GLU A 140 6.393 -2.735 -16.184 1.00 0.00 C ATOM 2118 OE1 GLU A 140 5.730 -3.754 -15.852 1.00 0.00 O ATOM 2119 OE2 GLU A 140 7.507 -2.925 -16.741 1.00 0.00 O ATOM 0 H GLU A 140 5.873 1.063 -15.649 1.00 0.00 H new ATOM 0 HA GLU A 140 3.272 -0.044 -15.370 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.852 -0.871 -14.037 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.477 -1.871 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.985 -1.302 -16.910 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.490 -0.607 -16.344 1.00 0.00 H new ATOM 2126 N PHE A 141 4.468 1.471 -12.740 1.00 0.00 N ATOM 2127 CA PHE A 141 4.194 1.977 -11.431 1.00 0.00 C ATOM 2128 C PHE A 141 3.145 3.024 -11.581 1.00 0.00 C ATOM 2129 O PHE A 141 2.131 2.956 -10.887 1.00 0.00 O ATOM 2130 CB PHE A 141 5.562 2.390 -10.864 1.00 0.00 C ATOM 2131 CG PHE A 141 5.469 2.703 -9.410 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.582 1.759 -8.417 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.172 3.994 -9.043 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.612 2.090 -7.082 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.170 4.393 -7.727 1.00 0.00 C ATOM 2136 CZ PHE A 141 5.472 3.428 -6.796 1.00 0.00 C ATOM 0 H PHE A 141 5.384 1.775 -13.071 1.00 0.00 H new ATOM 0 HA PHE A 141 3.770 1.284 -10.704 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.281 1.586 -11.021 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.935 3.261 -11.403 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.650 0.718 -8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.933 4.716 -9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.737 1.347 -6.308 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.943 5.409 -7.441 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.608 3.741 -5.771 1.00 0.00 H new ATOM 2146 N VAL A 142 3.277 3.857 -12.629 1.00 0.00 N ATOM 2147 CA VAL A 142 2.275 4.811 -12.992 1.00 0.00 C ATOM 2148 C VAL A 142 0.913 4.284 -13.286 1.00 0.00 C ATOM 2149 O VAL A 142 -0.028 4.781 -12.671 1.00 0.00 O ATOM 2150 CB VAL A 142 2.754 5.617 -14.162 1.00 0.00 C ATOM 2151 CG1 VAL A 142 1.783 6.764 -14.490 1.00 0.00 C ATOM 2152 CG2 VAL A 142 4.104 6.307 -13.903 1.00 0.00 C ATOM 0 H VAL A 142 4.096 3.868 -13.237 1.00 0.00 H new ATOM 0 HA VAL A 142 2.144 5.412 -12.092 1.00 0.00 H new ATOM 0 HB VAL A 142 2.834 4.893 -14.973 1.00 0.00 H new ATOM 0 HG11 VAL A 142 2.161 7.328 -15.343 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.803 6.353 -14.732 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.696 7.425 -13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.398 6.875 -14.786 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.010 6.982 -13.052 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.862 5.554 -13.687 1.00 0.00 H new ATOM 2162 N GLN A 143 0.766 3.282 -14.171 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.491 2.709 -14.538 1.00 0.00 C ATOM 2164 C GLN A 143 -1.113 1.935 -13.427 1.00 0.00 C ATOM 2165 O GLN A 143 -2.343 1.927 -13.391 1.00 0.00 O ATOM 2166 CB GLN A 143 -0.350 1.822 -15.787 1.00 0.00 C ATOM 2167 CG GLN A 143 -1.709 1.373 -16.329 1.00 0.00 C ATOM 2168 CD GLN A 143 -1.578 0.507 -17.574 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -2.092 -0.605 -17.685 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -0.796 0.965 -18.588 1.00 0.00 N ATOM 0 H GLN A 143 1.557 2.853 -14.651 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.155 3.543 -14.766 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.186 2.370 -16.562 1.00 0.00 H new ATOM 0 HB3 GLN A 143 0.250 0.946 -15.543 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.240 0.817 -15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.313 2.250 -16.561 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.359 1.884 -18.520 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -0.647 0.390 -19.417 1.00 0.00 H new ATOM 2179 N MET A 144 -0.288 1.353 -12.539 1.00 0.00 N ATOM 2180 CA MET A 144 -0.700 0.746 -11.311 1.00 0.00 C ATOM 2181 C MET A 144 -1.352 1.656 -10.327 1.00 0.00 C ATOM 2182 O MET A 144 -2.308 1.289 -9.646 1.00 0.00 O ATOM 2183 CB MET A 144 0.518 0.115 -10.616 1.00 0.00 C ATOM 2184 CG MET A 144 0.099 -0.627 -9.345 1.00 0.00 C ATOM 2185 SD MET A 144 1.298 -1.843 -8.722 1.00 0.00 S ATOM 2186 CE MET A 144 2.848 -0.908 -8.575 1.00 0.00 C ATOM 0 H MET A 144 0.720 1.303 -12.686 1.00 0.00 H new ATOM 0 HA MET A 144 -1.452 0.015 -11.608 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.013 -0.576 -11.298 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.242 0.891 -10.367 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.089 0.107 -8.561 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.845 -1.138 -9.537 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.608 -1.362 -9.210 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.682 0.123 -8.888 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.185 -0.923 -7.539 1.00 0.00 H new ATOM 2196 N MET A 145 -0.781 2.846 -10.069 1.00 0.00 N ATOM 2197 CA MET A 145 -1.267 3.716 -9.044 1.00 0.00 C ATOM 2198 C MET A 145 -2.364 4.540 -9.625 1.00 0.00 C ATOM 2199 O MET A 145 -3.380 4.883 -9.023 1.00 0.00 O ATOM 2200 CB MET A 145 -0.128 4.613 -8.528 1.00 0.00 C ATOM 2201 CG MET A 145 0.883 3.862 -7.659 1.00 0.00 C ATOM 2202 SD MET A 145 0.259 2.757 -6.357 1.00 0.00 S ATOM 2203 CE MET A 145 1.896 1.994 -6.171 1.00 0.00 C ATOM 0 H MET A 145 0.026 3.208 -10.577 1.00 0.00 H new ATOM 0 HA MET A 145 -1.643 3.139 -8.199 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.391 5.055 -9.378 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.554 5.434 -7.952 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.514 3.270 -8.322 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.526 4.603 -7.184 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.862 1.250 -5.375 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.181 1.513 -7.106 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.628 2.761 -5.919 1.00 0.00 H new