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 97 ASN : amide:sc= 0.277 K(o=0.28,f=-2.6!) USER MOD Set 1.2: A 135 GLN : amide:sc= 0 X(o=0.28,f=0.27) USER MOD Set 2.1: A 109 MET CE :methyl -126:sc= 0 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl -109:sc= -0.1 (180deg=0) USER MOD Set 3.1: A 94 LYS NZ :NH3+ 179:sc= 0.587 (180deg=0) USER MOD Set 3.2: A 107 HIS : no HE2:sc= 0.516 K(o=1.1,f=-0.55) USER MOD Set 4.1: A 26 THR OG1 : rot -84:sc= 1.28 USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -20:sc= 0.241 USER MOD Single : A 8 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.111) USER MOD Single : A 17 SER OG : rot 67:sc= 0.0211 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -22:sc= 0.458 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 67:sc= 0.813 USER MOD Single : A 36 MET CE :methyl 179:sc=-0.00317 (180deg=-0.0038) USER MOD Single : A 38 SER OG : rot 74:sc= 0.0677 USER MOD Single : A 41 GLN : amide:sc= -0.593 K(o=-0.59,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.737 K(o=0.74,f=-5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 60 ASN : amide:sc= 0.281 K(o=0.28,f=-3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -77:sc= 0.832 USER MOD Single : A 110 THR OG1 : rot 11:sc= 0.472 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 155:sc= -0.0913 (180deg=-0.564) USER MOD Single : A 117 THR OG1 : rot -71:sc= 1.01 USER MOD Single : A 137 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc=-0.00879 X(o=-0.0088,f=0) USER MOD Single : A 144 MET CE :methyl -137:sc= 0 (180deg=-0.705) USER MOD Single : A 145 MET CE :methyl -168:sc= -0.9 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.984 17.266 1.899 1.00 0.00 N ATOM 59 CA THR A 5 -13.440 18.196 0.913 1.00 0.00 C ATOM 60 C THR A 5 -14.544 17.610 0.102 1.00 0.00 C ATOM 61 O THR A 5 -14.790 16.406 0.158 1.00 0.00 O ATOM 62 CB THR A 5 -12.366 18.546 -0.074 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.686 17.378 -0.510 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.248 19.359 0.598 1.00 0.00 C ATOM 0 HA THR A 5 -13.759 19.077 1.470 1.00 0.00 H new ATOM 0 HB THR A 5 -12.867 19.084 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.831 16.655 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.481 19.601 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.663 20.281 1.006 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.806 18.773 1.404 1.00 0.00 H new ATOM 72 N GLU A 6 -15.281 18.482 -0.609 1.00 0.00 N ATOM 73 CA GLU A 6 -16.469 18.029 -1.264 1.00 0.00 C ATOM 74 C GLU A 6 -16.171 16.999 -2.300 1.00 0.00 C ATOM 75 O GLU A 6 -16.940 16.043 -2.380 1.00 0.00 O ATOM 76 CB GLU A 6 -17.226 19.270 -1.764 1.00 0.00 C ATOM 77 CG GLU A 6 -18.515 18.905 -2.504 1.00 0.00 C ATOM 78 CD GLU A 6 -19.299 20.069 -3.093 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.062 20.745 -2.352 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.069 20.370 -4.294 1.00 0.00 O ATOM 0 H GLU A 6 -15.064 19.471 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.128 17.499 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.466 19.913 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.579 19.845 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.265 18.216 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.166 18.366 -1.815 1.00 0.00 H new ATOM 87 N GLU A 7 -14.994 17.108 -2.942 1.00 0.00 N ATOM 88 CA GLU A 7 -14.739 16.286 -4.085 1.00 0.00 C ATOM 89 C GLU A 7 -14.329 14.892 -3.760 1.00 0.00 C ATOM 90 O GLU A 7 -14.511 13.913 -4.482 1.00 0.00 O ATOM 91 CB GLU A 7 -13.618 16.890 -4.948 1.00 0.00 C ATOM 92 CG GLU A 7 -14.166 18.077 -5.742 1.00 0.00 C ATOM 93 CD GLU A 7 -13.203 18.414 -6.871 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.014 18.747 -6.620 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.641 18.340 -8.050 1.00 0.00 O ATOM 0 H GLU A 7 -14.240 17.744 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.693 16.250 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.792 17.213 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.222 16.136 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.149 17.836 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.293 18.939 -5.088 1.00 0.00 H new ATOM 102 N GLN A 8 -13.718 14.701 -2.577 1.00 0.00 N ATOM 103 CA GLN A 8 -13.362 13.394 -2.119 1.00 0.00 C ATOM 104 C GLN A 8 -14.576 12.642 -1.693 1.00 0.00 C ATOM 105 O GLN A 8 -14.666 11.469 -2.053 1.00 0.00 O ATOM 106 CB GLN A 8 -12.360 13.380 -0.953 1.00 0.00 C ATOM 107 CG GLN A 8 -10.933 13.742 -1.371 1.00 0.00 C ATOM 108 CD GLN A 8 -10.177 12.452 -1.657 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.495 11.982 -0.748 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.343 11.882 -2.880 1.00 0.00 N ATOM 0 H GLN A 8 -13.470 15.454 -1.936 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.876 12.922 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.695 14.080 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.357 12.389 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.946 14.378 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.437 14.305 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.927 12.338 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.883 10.998 -3.097 1.00 0.00 H new ATOM 119 N ILE A 9 -15.502 13.374 -1.048 1.00 0.00 N ATOM 120 CA ILE A 9 -16.731 12.794 -0.602 1.00 0.00 C ATOM 121 C ILE A 9 -17.570 12.401 -1.769 1.00 0.00 C ATOM 122 O ILE A 9 -18.365 11.464 -1.737 1.00 0.00 O ATOM 123 CB ILE A 9 -17.418 13.715 0.361 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.593 13.830 1.655 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.800 13.181 0.774 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.129 15.010 2.464 1.00 0.00 C ATOM 0 H ILE A 9 -15.400 14.366 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.534 11.874 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.522 14.675 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.665 12.909 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.539 13.978 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.265 13.877 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.430 13.079 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.686 12.208 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.557 15.109 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.035 15.925 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.178 14.840 2.705 1.00 0.00 H new ATOM 138 N ALA A 10 -17.527 13.222 -2.834 1.00 0.00 N ATOM 139 CA ALA A 10 -18.265 13.034 -4.045 1.00 0.00 C ATOM 140 C ALA A 10 -17.814 11.894 -4.892 1.00 0.00 C ATOM 141 O ALA A 10 -18.588 11.205 -5.556 1.00 0.00 O ATOM 142 CB ALA A 10 -18.170 14.323 -4.878 1.00 0.00 C ATOM 0 H ALA A 10 -16.947 14.061 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.284 12.797 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.727 14.198 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.590 15.154 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.125 14.532 -5.108 1.00 0.00 H new ATOM 148 N GLU A 11 -16.523 11.529 -4.811 1.00 0.00 N ATOM 149 CA GLU A 11 -15.858 10.406 -5.395 1.00 0.00 C ATOM 150 C GLU A 11 -16.327 9.129 -4.787 1.00 0.00 C ATOM 151 O GLU A 11 -16.561 8.144 -5.485 1.00 0.00 O ATOM 152 CB GLU A 11 -14.322 10.485 -5.397 1.00 0.00 C ATOM 153 CG GLU A 11 -13.646 11.415 -6.407 1.00 0.00 C ATOM 154 CD GLU A 11 -13.992 11.143 -7.864 1.00 0.00 C ATOM 155 OE1 GLU A 11 -15.093 11.582 -8.292 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.201 10.509 -8.612 1.00 0.00 O ATOM 0 H GLU A 11 -15.868 12.093 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.141 10.432 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.003 10.789 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.937 9.479 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.919 12.443 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.566 11.336 -6.285 1.00 0.00 H new ATOM 163 N PHE A 12 -16.460 9.190 -3.450 1.00 0.00 N ATOM 164 CA PHE A 12 -16.786 8.113 -2.568 1.00 0.00 C ATOM 165 C PHE A 12 -18.239 7.821 -2.727 1.00 0.00 C ATOM 166 O PHE A 12 -18.606 6.651 -2.818 1.00 0.00 O ATOM 167 CB PHE A 12 -16.422 8.341 -1.091 1.00 0.00 C ATOM 168 CG PHE A 12 -15.001 8.528 -0.684 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.935 8.314 -1.526 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.798 8.932 0.614 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.669 8.622 -1.088 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.517 9.275 0.979 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.432 9.196 0.138 1.00 0.00 C ATOM 0 H PHE A 12 -16.328 10.067 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.170 7.261 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.971 9.221 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.809 7.491 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.090 7.910 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.613 8.978 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.829 8.405 -1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.354 9.628 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.456 9.561 0.423 1.00 0.00 H new ATOM 183 N LYS A 13 -19.096 8.836 -2.940 1.00 0.00 N ATOM 184 CA LYS A 13 -20.477 8.682 -3.275 1.00 0.00 C ATOM 185 C LYS A 13 -20.724 8.032 -4.592 1.00 0.00 C ATOM 186 O LYS A 13 -21.574 7.157 -4.752 1.00 0.00 O ATOM 187 CB LYS A 13 -21.123 10.078 -3.251 1.00 0.00 C ATOM 188 CG LYS A 13 -22.617 10.107 -2.924 1.00 0.00 C ATOM 189 CD LYS A 13 -22.887 9.948 -1.426 1.00 0.00 C ATOM 190 CE LYS A 13 -24.356 10.094 -1.025 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.053 8.912 -1.580 1.00 0.00 N ATOM 0 H LYS A 13 -18.810 9.813 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.918 8.010 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.597 10.690 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.973 10.545 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.044 11.048 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.121 9.309 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.533 8.967 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.300 10.690 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.462 10.135 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.778 11.017 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.030 8.887 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.063 8.971 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.556 8.047 -1.287 1.00 0.00 H new ATOM 205 N GLU A 14 -19.885 8.410 -5.574 1.00 0.00 N ATOM 206 CA GLU A 14 -19.967 7.867 -6.894 1.00 0.00 C ATOM 207 C GLU A 14 -19.473 6.462 -6.959 1.00 0.00 C ATOM 208 O GLU A 14 -20.026 5.580 -7.613 1.00 0.00 O ATOM 209 CB GLU A 14 -19.329 8.742 -7.986 1.00 0.00 C ATOM 210 CG GLU A 14 -20.014 10.074 -8.298 1.00 0.00 C ATOM 211 CD GLU A 14 -21.406 9.846 -8.870 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.690 8.720 -9.359 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.204 10.820 -8.906 1.00 0.00 O ATOM 0 H GLU A 14 -19.143 9.099 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.033 7.859 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.300 8.951 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.288 8.159 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.083 10.674 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.412 10.640 -9.009 1.00 0.00 H new ATOM 220 N ALA A 15 -18.425 6.133 -6.183 1.00 0.00 N ATOM 221 CA ALA A 15 -17.861 4.822 -6.101 1.00 0.00 C ATOM 222 C ALA A 15 -18.814 3.912 -5.405 1.00 0.00 C ATOM 223 O ALA A 15 -19.017 2.761 -5.787 1.00 0.00 O ATOM 224 CB ALA A 15 -16.527 4.775 -5.337 1.00 0.00 C ATOM 0 H ALA A 15 -17.950 6.811 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.672 4.509 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.157 3.750 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.798 5.413 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.679 5.129 -4.317 1.00 0.00 H new ATOM 230 N PHE A 16 -19.487 4.439 -4.366 1.00 0.00 N ATOM 231 CA PHE A 16 -20.513 3.722 -3.675 1.00 0.00 C ATOM 232 C PHE A 16 -21.643 3.325 -4.561 1.00 0.00 C ATOM 233 O PHE A 16 -22.118 2.196 -4.448 1.00 0.00 O ATOM 234 CB PHE A 16 -20.979 4.676 -2.563 1.00 0.00 C ATOM 235 CG PHE A 16 -21.696 3.840 -1.559 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.018 3.497 -1.719 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.985 3.377 -0.477 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.653 2.800 -0.718 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.588 2.576 0.464 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.931 2.310 0.345 1.00 0.00 C ATOM 0 H PHE A 16 -19.316 5.376 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.133 2.778 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.129 5.185 -2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.635 5.448 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.550 3.771 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.945 3.645 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.720 2.637 -0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.016 2.163 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.425 1.710 1.095 1.00 0.00 H new ATOM 250 N SER A 17 -22.082 4.199 -5.485 1.00 0.00 N ATOM 251 CA SER A 17 -23.119 3.810 -6.390 1.00 0.00 C ATOM 252 C SER A 17 -22.792 2.741 -7.375 1.00 0.00 C ATOM 253 O SER A 17 -23.695 2.111 -7.923 1.00 0.00 O ATOM 254 CB SER A 17 -23.636 4.991 -7.228 1.00 0.00 C ATOM 255 OG SER A 17 -24.194 5.968 -6.361 1.00 0.00 O ATOM 0 H SER A 17 -21.731 5.149 -5.605 1.00 0.00 H new ATOM 0 HA SER A 17 -23.859 3.418 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.822 5.425 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.387 4.647 -7.939 1.00 0.00 H new ATOM 0 HG SER A 17 -23.485 6.359 -5.809 1.00 0.00 H new ATOM 261 N LEU A 18 -21.486 2.505 -7.594 1.00 0.00 N ATOM 262 CA LEU A 18 -21.023 1.495 -8.494 1.00 0.00 C ATOM 263 C LEU A 18 -20.946 0.168 -7.821 1.00 0.00 C ATOM 264 O LEU A 18 -20.993 -0.874 -8.473 1.00 0.00 O ATOM 265 CB LEU A 18 -19.610 1.814 -9.012 1.00 0.00 C ATOM 266 CG LEU A 18 -19.556 2.992 -9.998 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.182 3.610 -10.306 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.249 2.552 -11.299 1.00 0.00 C ATOM 0 H LEU A 18 -20.737 3.026 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.737 1.470 -9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.964 2.035 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.204 0.927 -9.499 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.068 3.809 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.302 4.429 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.739 3.990 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.529 2.850 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.225 3.370 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.729 1.689 -11.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.284 2.285 -11.087 1.00 0.00 H new ATOM 280 N PHE A 19 -20.849 0.196 -6.480 1.00 0.00 N ATOM 281 CA PHE A 19 -20.843 -0.907 -5.570 1.00 0.00 C ATOM 282 C PHE A 19 -22.227 -1.391 -5.307 1.00 0.00 C ATOM 283 O PHE A 19 -22.595 -2.556 -5.458 1.00 0.00 O ATOM 284 CB PHE A 19 -20.155 -0.687 -4.212 1.00 0.00 C ATOM 285 CG PHE A 19 -18.711 -1.051 -4.262 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.381 -2.379 -4.399 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.739 -0.083 -4.184 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.052 -2.727 -4.334 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.403 -0.406 -4.207 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.093 -1.745 -4.252 1.00 0.00 C ATOM 0 H PHE A 19 -20.766 1.084 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.236 -1.643 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.257 0.357 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.655 -1.284 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.144 -3.128 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.031 0.954 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.763 -3.767 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.635 0.354 -4.191 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.054 -2.037 -4.222 1.00 0.00 H new ATOM 300 N ASP A 20 -23.095 -0.450 -4.895 1.00 0.00 N ATOM 301 CA ASP A 20 -24.424 -0.789 -4.491 1.00 0.00 C ATOM 302 C ASP A 20 -25.269 -1.180 -5.655 1.00 0.00 C ATOM 303 O ASP A 20 -25.642 -0.390 -6.520 1.00 0.00 O ATOM 304 CB ASP A 20 -25.066 0.351 -3.683 1.00 0.00 C ATOM 305 CG ASP A 20 -26.291 -0.126 -2.917 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.505 -1.367 -2.933 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.017 0.710 -2.314 1.00 0.00 O ATOM 0 H ASP A 20 -22.877 0.545 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.357 -1.659 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.335 0.759 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.349 1.160 -4.356 1.00 0.00 H new ATOM 312 N LYS A 21 -25.495 -2.490 -5.856 1.00 0.00 N ATOM 313 CA LYS A 21 -26.053 -3.079 -7.034 1.00 0.00 C ATOM 314 C LYS A 21 -27.520 -2.851 -6.904 1.00 0.00 C ATOM 315 O LYS A 21 -28.056 -2.057 -7.675 1.00 0.00 O ATOM 316 CB LYS A 21 -25.654 -4.519 -7.396 1.00 0.00 C ATOM 317 CG LYS A 21 -26.268 -5.022 -8.705 1.00 0.00 C ATOM 318 CD LYS A 21 -25.564 -4.383 -9.904 1.00 0.00 C ATOM 319 CE LYS A 21 -26.052 -4.784 -11.297 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.404 -4.244 -11.563 1.00 0.00 N ATOM 0 H LYS A 21 -25.272 -3.186 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.619 -2.597 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.568 -4.577 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.955 -5.184 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.183 -6.107 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.331 -4.784 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.656 -3.301 -9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.502 -4.619 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.355 -4.416 -12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.068 -5.871 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.711 -4.531 -12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.071 -4.615 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.381 -3.206 -11.505 1.00 0.00 H new ATOM 334 N ASP A 22 -28.292 -3.437 -5.972 1.00 0.00 N ATOM 335 CA ASP A 22 -29.691 -3.159 -5.873 1.00 0.00 C ATOM 336 C ASP A 22 -30.011 -1.739 -5.555 1.00 0.00 C ATOM 337 O ASP A 22 -30.934 -1.176 -6.140 1.00 0.00 O ATOM 338 CB ASP A 22 -30.301 -4.176 -4.893 1.00 0.00 C ATOM 339 CG ASP A 22 -29.533 -4.460 -3.609 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.750 -3.608 -3.112 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.784 -5.568 -3.065 1.00 0.00 O ATOM 0 H ASP A 22 -27.946 -4.106 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.152 -3.281 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.296 -3.825 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.430 -5.119 -5.424 1.00 0.00 H new ATOM 346 N GLY A 23 -29.312 -1.046 -4.638 1.00 0.00 N ATOM 347 CA GLY A 23 -29.535 0.319 -4.277 1.00 0.00 C ATOM 348 C GLY A 23 -30.351 0.488 -3.042 1.00 0.00 C ATOM 349 O GLY A 23 -31.201 1.376 -3.004 1.00 0.00 O ATOM 0 H GLY A 23 -28.543 -1.467 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.572 0.810 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.033 0.827 -5.103 1.00 0.00 H new ATOM 353 N ASP A 24 -30.153 -0.344 -2.003 1.00 0.00 N ATOM 354 CA ASP A 24 -30.589 0.045 -0.698 1.00 0.00 C ATOM 355 C ASP A 24 -29.814 1.119 -0.016 1.00 0.00 C ATOM 356 O ASP A 24 -30.391 1.919 0.720 1.00 0.00 O ATOM 357 CB ASP A 24 -30.610 -1.216 0.183 1.00 0.00 C ATOM 358 CG ASP A 24 -29.193 -1.642 0.540 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.369 -1.920 -0.371 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.889 -1.670 1.762 1.00 0.00 O ATOM 0 H ASP A 24 -29.705 -1.259 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.572 0.494 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.177 -1.021 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.118 -2.025 -0.342 1.00 0.00 H new ATOM 365 N GLY A 25 -28.506 1.269 -0.289 1.00 0.00 N ATOM 366 CA GLY A 25 -27.690 2.222 0.397 1.00 0.00 C ATOM 367 C GLY A 25 -26.558 1.603 1.141 1.00 0.00 C ATOM 368 O GLY A 25 -25.887 2.388 1.810 1.00 0.00 O ATOM 0 H GLY A 25 -28.009 0.724 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.294 2.936 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.310 2.785 1.095 1.00 0.00 H new ATOM 372 N THR A 26 -26.377 0.280 0.981 1.00 0.00 N ATOM 373 CA THR A 26 -25.358 -0.412 1.708 1.00 0.00 C ATOM 374 C THR A 26 -24.760 -1.450 0.822 1.00 0.00 C ATOM 375 O THR A 26 -25.289 -1.784 -0.237 1.00 0.00 O ATOM 376 CB THR A 26 -25.807 -1.094 2.966 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.580 -2.276 2.817 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.520 -0.220 4.012 1.00 0.00 C ATOM 0 H THR A 26 -26.930 -0.306 0.355 1.00 0.00 H new ATOM 0 HA THR A 26 -24.652 0.360 2.013 1.00 0.00 H new ATOM 0 HB THR A 26 -24.816 -1.360 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.521 -2.037 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.793 -0.831 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.853 0.580 4.333 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.420 0.211 3.573 1.00 0.00 H new ATOM 386 N ILE A 27 -23.554 -1.952 1.141 1.00 0.00 N ATOM 387 CA ILE A 27 -22.812 -2.904 0.374 1.00 0.00 C ATOM 388 C ILE A 27 -22.709 -4.210 1.085 1.00 0.00 C ATOM 389 O ILE A 27 -22.026 -4.287 2.105 1.00 0.00 O ATOM 390 CB ILE A 27 -21.450 -2.452 -0.059 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.193 -0.994 -0.479 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.146 -3.427 -1.209 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.767 -0.585 -0.842 1.00 0.00 C ATOM 0 H ILE A 27 -23.065 -1.674 1.992 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.392 -3.019 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.800 -2.466 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.829 -0.778 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.526 -0.350 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.163 -3.205 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.158 -4.450 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.901 -3.318 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.750 0.470 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.112 -0.749 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.420 -1.184 -1.684 1.00 0.00 H new ATOM 405 N THR A 28 -23.265 -5.313 0.552 1.00 0.00 N ATOM 406 CA THR A 28 -23.018 -6.663 0.955 1.00 0.00 C ATOM 407 C THR A 28 -21.839 -7.312 0.315 1.00 0.00 C ATOM 408 O THR A 28 -21.318 -6.908 -0.724 1.00 0.00 O ATOM 409 CB THR A 28 -24.119 -7.634 0.647 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.799 -7.547 -0.596 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.178 -7.278 1.704 1.00 0.00 C ATOM 0 H THR A 28 -23.935 -5.256 -0.215 1.00 0.00 H new ATOM 0 HA THR A 28 -22.883 -6.501 2.024 1.00 0.00 H new ATOM 0 HB THR A 28 -23.663 -8.624 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.693 -6.645 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.045 -7.927 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.758 -7.416 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.482 -6.239 1.579 1.00 0.00 H new ATOM 419 N THR A 29 -21.492 -8.491 0.861 1.00 0.00 N ATOM 420 CA THR A 29 -20.307 -9.190 0.472 1.00 0.00 C ATOM 421 C THR A 29 -20.305 -9.751 -0.908 1.00 0.00 C ATOM 422 O THR A 29 -19.280 -9.847 -1.580 1.00 0.00 O ATOM 423 CB THR A 29 -19.819 -10.305 1.349 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.883 -11.199 1.641 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.174 -9.901 2.686 1.00 0.00 C ATOM 0 H THR A 29 -22.039 -8.964 1.580 1.00 0.00 H new ATOM 0 HA THR A 29 -19.631 -8.340 0.566 1.00 0.00 H new ATOM 0 HB THR A 29 -19.026 -10.760 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.554 -11.924 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.864 -10.796 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.304 -9.273 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.896 -9.348 3.286 1.00 0.00 H new ATOM 433 N LYS A 30 -21.500 -9.975 -1.484 1.00 0.00 N ATOM 434 CA LYS A 30 -21.768 -10.199 -2.870 1.00 0.00 C ATOM 435 C LYS A 30 -21.323 -9.082 -3.750 1.00 0.00 C ATOM 436 O LYS A 30 -20.428 -9.358 -4.548 1.00 0.00 O ATOM 437 CB LYS A 30 -23.258 -10.481 -3.127 1.00 0.00 C ATOM 438 CG LYS A 30 -23.563 -10.861 -4.577 1.00 0.00 C ATOM 439 CD LYS A 30 -24.988 -11.404 -4.695 1.00 0.00 C ATOM 440 CE LYS A 30 -25.422 -11.864 -6.088 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.781 -10.713 -6.945 1.00 0.00 N ATOM 0 H LYS A 30 -22.354 -10.001 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.180 -11.080 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.586 -11.287 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.839 -9.598 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.444 -9.990 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.851 -11.611 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.092 -12.244 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.678 -10.630 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.616 -12.430 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.275 -12.537 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.071 -11.056 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.566 -10.188 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.958 -10.085 -7.045 1.00 0.00 H new ATOM 455 N GLU A 31 -21.760 -7.832 -3.516 1.00 0.00 N ATOM 456 CA GLU A 31 -21.427 -6.656 -4.259 1.00 0.00 C ATOM 457 C GLU A 31 -20.020 -6.187 -4.110 1.00 0.00 C ATOM 458 O GLU A 31 -19.360 -5.758 -5.055 1.00 0.00 O ATOM 459 CB GLU A 31 -22.401 -5.581 -3.749 1.00 0.00 C ATOM 460 CG GLU A 31 -23.899 -5.796 -3.977 1.00 0.00 C ATOM 461 CD GLU A 31 -24.830 -5.012 -3.064 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.743 -4.962 -1.808 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.767 -4.369 -3.609 1.00 0.00 O ATOM 0 H GLU A 31 -22.397 -7.629 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.514 -6.871 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.240 -5.468 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.126 -4.635 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.131 -5.536 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.116 -6.858 -3.860 1.00 0.00 H new ATOM 470 N LEU A 32 -19.373 -6.334 -2.940 1.00 0.00 N ATOM 471 CA LEU A 32 -17.980 -6.099 -2.719 1.00 0.00 C ATOM 472 C LEU A 32 -17.147 -7.052 -3.506 1.00 0.00 C ATOM 473 O LEU A 32 -16.324 -6.536 -4.260 1.00 0.00 O ATOM 474 CB LEU A 32 -17.592 -6.235 -1.236 1.00 0.00 C ATOM 475 CG LEU A 32 -17.920 -5.016 -0.357 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.405 -5.329 1.057 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.340 -3.659 -0.792 1.00 0.00 C ATOM 0 H LEU A 32 -19.855 -6.637 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.793 -5.075 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.099 -7.107 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.521 -6.430 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.999 -4.883 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.618 -4.487 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.902 -6.222 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.329 -5.500 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.648 -2.888 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.252 -3.718 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.709 -3.408 -1.787 1.00 0.00 H new ATOM 489 N GLY A 33 -17.471 -8.355 -3.432 1.00 0.00 N ATOM 490 CA GLY A 33 -16.772 -9.383 -4.140 1.00 0.00 C ATOM 491 C GLY A 33 -16.914 -9.302 -5.621 1.00 0.00 C ATOM 492 O GLY A 33 -16.023 -9.775 -6.325 1.00 0.00 O ATOM 0 H GLY A 33 -18.242 -8.704 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.714 -9.332 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.135 -10.354 -3.803 1.00 0.00 H new ATOM 496 N THR A 34 -18.032 -8.798 -6.174 1.00 0.00 N ATOM 497 CA THR A 34 -18.313 -8.673 -7.570 1.00 0.00 C ATOM 498 C THR A 34 -17.264 -7.837 -8.218 1.00 0.00 C ATOM 499 O THR A 34 -16.538 -8.342 -9.073 1.00 0.00 O ATOM 500 CB THR A 34 -19.724 -8.212 -7.788 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.709 -9.161 -7.406 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.986 -8.125 -9.301 1.00 0.00 C ATOM 0 H THR A 34 -18.799 -8.451 -5.598 1.00 0.00 H new ATOM 0 HA THR A 34 -18.264 -9.644 -8.063 1.00 0.00 H new ATOM 0 HB THR A 34 -19.801 -7.288 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.691 -9.278 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.009 -7.791 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.291 -7.415 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.844 -9.107 -9.752 1.00 0.00 H new ATOM 510 N VAL A 35 -17.104 -6.549 -7.864 1.00 0.00 N ATOM 511 CA VAL A 35 -16.287 -5.593 -8.546 1.00 0.00 C ATOM 512 C VAL A 35 -14.842 -5.847 -8.285 1.00 0.00 C ATOM 513 O VAL A 35 -13.962 -5.681 -9.128 1.00 0.00 O ATOM 514 CB VAL A 35 -16.735 -4.197 -8.232 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.673 -3.210 -8.745 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.119 -3.928 -8.848 1.00 0.00 C ATOM 0 H VAL A 35 -17.575 -6.151 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.412 -5.708 -9.623 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.838 -4.066 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.987 -2.190 -8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.721 -3.412 -8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.557 -3.327 -9.822 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.431 -2.911 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.065 -4.049 -9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.842 -4.634 -8.439 1.00 0.00 H new ATOM 526 N MET A 36 -14.485 -6.314 -7.075 1.00 0.00 N ATOM 527 CA MET A 36 -13.217 -6.895 -6.759 1.00 0.00 C ATOM 528 C MET A 36 -12.847 -8.071 -7.596 1.00 0.00 C ATOM 529 O MET A 36 -11.732 -8.138 -8.112 1.00 0.00 O ATOM 530 CB MET A 36 -13.102 -7.296 -5.279 1.00 0.00 C ATOM 531 CG MET A 36 -13.230 -6.209 -4.210 1.00 0.00 C ATOM 532 SD MET A 36 -12.925 -6.814 -2.522 1.00 0.00 S ATOM 533 CE MET A 36 -13.668 -5.355 -1.736 1.00 0.00 C ATOM 0 H MET A 36 -15.116 -6.284 -6.274 1.00 0.00 H new ATOM 0 HA MET A 36 -12.514 -6.092 -6.983 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.867 -8.047 -5.080 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.136 -7.781 -5.142 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.527 -5.407 -4.433 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.230 -5.779 -4.258 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.632 -5.468 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.113 -4.463 -2.026 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.705 -5.257 -2.057 1.00 0.00 H new ATOM 543 N ARG A 37 -13.737 -9.030 -7.908 1.00 0.00 N ATOM 544 CA ARG A 37 -13.348 -10.081 -8.797 1.00 0.00 C ATOM 545 C ARG A 37 -13.296 -9.590 -10.203 1.00 0.00 C ATOM 546 O ARG A 37 -12.419 -9.954 -10.986 1.00 0.00 O ATOM 547 CB ARG A 37 -14.419 -11.184 -8.808 1.00 0.00 C ATOM 548 CG ARG A 37 -13.805 -12.563 -9.059 1.00 0.00 C ATOM 549 CD ARG A 37 -14.557 -13.661 -8.304 1.00 0.00 C ATOM 550 NE ARG A 37 -13.896 -14.978 -8.525 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.508 -15.948 -9.266 1.00 0.00 C ATOM 552 NH1 ARG A 37 -15.561 -15.701 -10.099 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.146 -17.260 -9.163 1.00 0.00 N ATOM 0 H ARG A 37 -14.694 -9.080 -7.559 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.378 -10.441 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.947 -11.188 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.157 -10.968 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.820 -12.780 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.760 -12.558 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.580 -13.431 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.592 -13.703 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.978 -15.157 -8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.928 -14.754 -10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.981 -16.464 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.402 -17.535 -8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.619 -17.965 -9.728 1.00 0.00 H new ATOM 567 N SER A 38 -14.161 -8.637 -10.592 1.00 0.00 N ATOM 568 CA SER A 38 -13.938 -7.840 -11.758 1.00 0.00 C ATOM 569 C SER A 38 -12.673 -7.062 -11.877 1.00 0.00 C ATOM 570 O SER A 38 -12.066 -6.937 -12.940 1.00 0.00 O ATOM 571 CB SER A 38 -15.132 -6.911 -12.035 1.00 0.00 C ATOM 572 OG SER A 38 -16.268 -7.747 -12.200 1.00 0.00 O ATOM 0 H SER A 38 -15.023 -8.417 -10.093 1.00 0.00 H new ATOM 0 HA SER A 38 -13.825 -8.616 -12.515 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.280 -6.214 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.958 -6.313 -12.930 1.00 0.00 H new ATOM 0 HG SER A 38 -16.550 -8.092 -11.327 1.00 0.00 H new ATOM 578 N LEU A 39 -12.059 -6.626 -10.763 1.00 0.00 N ATOM 579 CA LEU A 39 -10.740 -6.076 -10.772 1.00 0.00 C ATOM 580 C LEU A 39 -9.605 -7.030 -10.921 1.00 0.00 C ATOM 581 O LEU A 39 -8.459 -6.610 -11.071 1.00 0.00 O ATOM 582 CB LEU A 39 -10.557 -5.255 -9.484 1.00 0.00 C ATOM 583 CG LEU A 39 -11.384 -3.959 -9.458 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.408 -3.360 -8.042 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.966 -2.958 -10.549 1.00 0.00 C ATOM 0 H LEU A 39 -12.487 -6.656 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.688 -5.476 -11.680 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.834 -5.870 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.502 -5.006 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.413 -4.215 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.998 -2.444 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.853 -4.076 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.390 -3.135 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.586 -2.064 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.920 -2.686 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.096 -3.414 -11.530 1.00 0.00 H new ATOM 597 N GLY A 40 -9.889 -8.331 -10.729 1.00 0.00 N ATOM 598 CA GLY A 40 -8.863 -9.314 -10.884 1.00 0.00 C ATOM 599 C GLY A 40 -8.381 -9.810 -9.564 1.00 0.00 C ATOM 600 O GLY A 40 -7.295 -10.376 -9.446 1.00 0.00 O ATOM 0 H GLY A 40 -10.806 -8.696 -10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.243 -10.150 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.029 -8.887 -11.440 1.00 0.00 H new ATOM 604 N GLN A 41 -9.160 -9.609 -8.486 1.00 0.00 N ATOM 605 CA GLN A 41 -8.830 -10.181 -7.218 1.00 0.00 C ATOM 606 C GLN A 41 -9.659 -11.407 -7.045 1.00 0.00 C ATOM 607 O GLN A 41 -10.594 -11.570 -7.828 1.00 0.00 O ATOM 608 CB GLN A 41 -9.074 -9.142 -6.110 1.00 0.00 C ATOM 609 CG GLN A 41 -8.458 -7.791 -6.480 1.00 0.00 C ATOM 610 CD GLN A 41 -8.813 -6.666 -5.517 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.864 -5.498 -5.897 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.056 -7.041 -4.233 1.00 0.00 N ATOM 0 H GLN A 41 -10.015 -9.053 -8.492 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.778 -10.462 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.145 -9.025 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.645 -9.497 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.374 -7.895 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.786 -7.515 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.000 -8.025 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.294 -6.338 -3.533 1.00 0.00 H new ATOM 621 N ASN A 42 -9.376 -12.300 -6.080 1.00 0.00 N ATOM 622 CA ASN A 42 -10.220 -13.415 -5.781 1.00 0.00 C ATOM 623 C ASN A 42 -10.227 -13.622 -4.306 1.00 0.00 C ATOM 624 O ASN A 42 -9.889 -14.662 -3.744 1.00 0.00 O ATOM 625 CB ASN A 42 -9.607 -14.681 -6.402 1.00 0.00 C ATOM 626 CG ASN A 42 -10.643 -15.755 -6.704 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.843 -15.488 -6.678 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.214 -16.942 -7.210 1.00 0.00 N ATOM 0 H ASN A 42 -8.542 -12.246 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.223 -13.229 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.089 -14.413 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.858 -15.087 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.889 -17.616 -7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.217 -17.158 -7.229 1.00 0.00 H new ATOM 635 N PRO A 43 -10.711 -12.695 -3.532 1.00 0.00 N ATOM 636 CA PRO A 43 -10.909 -12.971 -2.139 1.00 0.00 C ATOM 637 C PRO A 43 -11.984 -13.965 -1.862 1.00 0.00 C ATOM 638 O PRO A 43 -12.926 -14.149 -2.631 1.00 0.00 O ATOM 639 CB PRO A 43 -11.305 -11.660 -1.464 1.00 0.00 C ATOM 640 CG PRO A 43 -11.786 -10.775 -2.626 1.00 0.00 C ATOM 641 CD PRO A 43 -10.956 -11.289 -3.813 1.00 0.00 C ATOM 0 HA PRO A 43 -9.979 -13.395 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.092 -11.813 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.461 -11.209 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.856 -10.886 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.603 -9.718 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.494 -11.164 -4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.020 -10.738 -3.906 1.00 0.00 H new ATOM 649 N THR A 44 -11.804 -14.744 -0.781 1.00 0.00 N ATOM 650 CA THR A 44 -12.701 -15.749 -0.300 1.00 0.00 C ATOM 651 C THR A 44 -13.921 -15.212 0.367 1.00 0.00 C ATOM 652 O THR A 44 -13.910 -14.032 0.714 1.00 0.00 O ATOM 653 CB THR A 44 -12.105 -16.775 0.618 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.755 -16.223 1.879 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.842 -17.346 -0.048 1.00 0.00 C ATOM 0 H THR A 44 -10.969 -14.665 -0.201 1.00 0.00 H new ATOM 0 HA THR A 44 -12.968 -16.240 -1.236 1.00 0.00 H new ATOM 0 HB THR A 44 -12.849 -17.553 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.372 -16.923 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.393 -18.095 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.109 -17.807 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.127 -16.542 -0.222 1.00 0.00 H new ATOM 663 N GLU A 45 -14.934 -16.058 0.623 1.00 0.00 N ATOM 664 CA GLU A 45 -16.107 -15.507 1.227 1.00 0.00 C ATOM 665 C GLU A 45 -15.861 -14.982 2.599 1.00 0.00 C ATOM 666 O GLU A 45 -16.429 -13.989 3.050 1.00 0.00 O ATOM 667 CB GLU A 45 -17.154 -16.626 1.359 1.00 0.00 C ATOM 668 CG GLU A 45 -17.780 -16.936 -0.003 1.00 0.00 C ATOM 669 CD GLU A 45 -18.721 -18.133 -0.005 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.774 -18.030 0.678 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.445 -19.141 -0.710 1.00 0.00 O ATOM 0 H GLU A 45 -14.948 -17.059 0.428 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.437 -14.683 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.687 -17.524 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.930 -16.325 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.328 -16.058 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.982 -17.115 -0.724 1.00 0.00 H new ATOM 678 N ALA A 46 -15.026 -15.699 3.373 1.00 0.00 N ATOM 679 CA ALA A 46 -14.498 -15.245 4.622 1.00 0.00 C ATOM 680 C ALA A 46 -13.571 -14.078 4.606 1.00 0.00 C ATOM 681 O ALA A 46 -13.650 -13.156 5.415 1.00 0.00 O ATOM 682 CB ALA A 46 -13.759 -16.352 5.392 1.00 0.00 C ATOM 0 H ALA A 46 -14.706 -16.633 3.118 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.421 -14.925 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.380 -15.951 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.446 -17.172 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.926 -16.719 4.792 1.00 0.00 H new ATOM 688 N GLU A 47 -12.674 -13.963 3.610 1.00 0.00 N ATOM 689 CA GLU A 47 -11.922 -12.754 3.476 1.00 0.00 C ATOM 690 C GLU A 47 -12.748 -11.555 3.160 1.00 0.00 C ATOM 691 O GLU A 47 -12.563 -10.505 3.772 1.00 0.00 O ATOM 692 CB GLU A 47 -10.926 -12.819 2.306 1.00 0.00 C ATOM 693 CG GLU A 47 -9.706 -13.696 2.594 1.00 0.00 C ATOM 694 CD GLU A 47 -8.730 -13.534 1.438 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.860 -14.154 0.349 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.715 -12.819 1.656 1.00 0.00 O ATOM 0 H GLU A 47 -12.473 -14.683 2.916 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.442 -12.662 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.439 -13.201 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.590 -11.810 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.237 -13.401 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.003 -14.740 2.699 1.00 0.00 H new ATOM 703 N LEU A 48 -13.767 -11.642 2.286 1.00 0.00 N ATOM 704 CA LEU A 48 -14.730 -10.638 1.955 1.00 0.00 C ATOM 705 C LEU A 48 -15.506 -10.173 3.138 1.00 0.00 C ATOM 706 O LEU A 48 -15.612 -8.990 3.458 1.00 0.00 O ATOM 707 CB LEU A 48 -15.747 -11.173 0.933 1.00 0.00 C ATOM 708 CG LEU A 48 -15.302 -11.032 -0.533 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.183 -11.905 -1.443 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.113 -9.558 -0.927 1.00 0.00 C ATOM 0 H LEU A 48 -13.930 -12.501 1.761 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.156 -9.806 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.937 -12.225 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.691 -10.645 1.067 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.301 -11.438 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.858 -11.796 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.094 -12.949 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.223 -11.589 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.799 -9.497 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.055 -9.024 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.351 -9.106 -0.291 1.00 0.00 H new ATOM 722 N GLN A 49 -15.942 -11.048 4.062 1.00 0.00 N ATOM 723 CA GLN A 49 -16.643 -10.848 5.292 1.00 0.00 C ATOM 724 C GLN A 49 -15.820 -10.260 6.386 1.00 0.00 C ATOM 725 O GLN A 49 -16.239 -9.580 7.321 1.00 0.00 O ATOM 726 CB GLN A 49 -17.303 -12.147 5.786 1.00 0.00 C ATOM 727 CG GLN A 49 -18.164 -11.914 7.029 1.00 0.00 C ATOM 728 CD GLN A 49 -18.926 -13.213 7.252 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.840 -13.503 6.482 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.486 -14.005 8.266 1.00 0.00 N ATOM 0 H GLN A 49 -15.774 -12.044 3.918 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.409 -10.112 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.920 -12.566 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.531 -12.883 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.546 -11.669 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.849 -11.079 6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.720 -13.692 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.922 -14.913 8.430 1.00 0.00 H new ATOM 739 N ASP A 50 -14.517 -10.596 6.362 1.00 0.00 N ATOM 740 CA ASP A 50 -13.484 -10.083 7.207 1.00 0.00 C ATOM 741 C ASP A 50 -13.256 -8.626 6.998 1.00 0.00 C ATOM 742 O ASP A 50 -13.271 -7.848 7.951 1.00 0.00 O ATOM 743 CB ASP A 50 -12.132 -10.780 6.976 1.00 0.00 C ATOM 744 CG ASP A 50 -11.041 -10.240 7.888 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.297 -10.166 9.120 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.961 -9.862 7.362 1.00 0.00 O ATOM 0 H ASP A 50 -14.160 -11.282 5.697 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.839 -10.274 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.245 -11.851 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.831 -10.649 5.936 1.00 0.00 H new ATOM 751 N MET A 51 -13.164 -8.145 5.745 1.00 0.00 N ATOM 752 CA MET A 51 -13.098 -6.787 5.304 1.00 0.00 C ATOM 753 C MET A 51 -14.201 -5.925 5.816 1.00 0.00 C ATOM 754 O MET A 51 -13.949 -4.751 6.086 1.00 0.00 O ATOM 755 CB MET A 51 -13.232 -6.718 3.774 1.00 0.00 C ATOM 756 CG MET A 51 -11.993 -7.217 3.029 1.00 0.00 C ATOM 757 SD MET A 51 -12.236 -7.451 1.243 1.00 0.00 S ATOM 758 CE MET A 51 -10.982 -8.735 0.970 1.00 0.00 C ATOM 0 H MET A 51 -13.133 -8.786 4.952 1.00 0.00 H new ATOM 0 HA MET A 51 -12.140 -6.428 5.680 1.00 0.00 H new ATOM 0 HB2 MET A 51 -14.094 -7.310 3.466 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.432 -5.687 3.481 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.181 -6.507 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.677 -8.163 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.975 -9.018 -0.082 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.001 -8.351 1.249 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.216 -9.608 1.579 1.00 0.00 H new ATOM 768 N ILE A 52 -15.345 -6.605 6.012 1.00 0.00 N ATOM 769 CA ILE A 52 -16.495 -6.053 6.657 1.00 0.00 C ATOM 770 C ILE A 52 -16.202 -5.877 8.108 1.00 0.00 C ATOM 771 O ILE A 52 -16.209 -4.771 8.644 1.00 0.00 O ATOM 772 CB ILE A 52 -17.822 -6.726 6.468 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.108 -6.868 4.964 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.843 -5.860 7.226 1.00 0.00 C ATOM 775 CD1 ILE A 52 -19.588 -7.049 4.628 1.00 0.00 C ATOM 0 H ILE A 52 -15.473 -7.571 5.711 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.648 -5.108 6.135 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.861 -7.740 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.734 -5.983 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.551 -7.722 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.836 -6.298 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.570 -5.814 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.847 -4.853 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.707 -7.142 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.964 -7.950 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -20.150 -6.185 4.982 1.00 0.00 H new ATOM 787 N ASN A 53 -15.976 -6.999 8.814 1.00 0.00 N ATOM 788 CA ASN A 53 -15.876 -7.208 10.226 1.00 0.00 C ATOM 789 C ASN A 53 -14.838 -6.310 10.806 1.00 0.00 C ATOM 790 O ASN A 53 -15.036 -5.786 11.901 1.00 0.00 O ATOM 791 CB ASN A 53 -15.452 -8.643 10.581 1.00 0.00 C ATOM 792 CG ASN A 53 -16.627 -9.606 10.494 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.802 -9.357 10.227 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.302 -10.862 10.901 1.00 0.00 N ATOM 0 H ASN A 53 -15.846 -7.881 8.319 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.868 -7.005 10.629 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.662 -8.969 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.037 -8.663 11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.026 -11.576 10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.334 -11.090 11.127 1.00 0.00 H new ATOM 801 N GLU A 54 -13.716 -6.005 10.130 1.00 0.00 N ATOM 802 CA GLU A 54 -12.674 -5.076 10.441 1.00 0.00 C ATOM 803 C GLU A 54 -13.246 -3.759 10.839 1.00 0.00 C ATOM 804 O GLU A 54 -12.953 -3.179 11.883 1.00 0.00 O ATOM 805 CB GLU A 54 -11.735 -4.878 9.240 1.00 0.00 C ATOM 806 CG GLU A 54 -10.486 -4.067 9.592 1.00 0.00 C ATOM 807 CD GLU A 54 -9.374 -4.186 8.560 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.570 -4.783 7.468 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.281 -3.600 8.783 1.00 0.00 O ATOM 0 H GLU A 54 -13.518 -6.476 9.247 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.104 -5.489 11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.434 -5.852 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.277 -4.373 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.762 -3.018 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.109 -4.397 10.560 1.00 0.00 H new ATOM 816 N VAL A 55 -14.048 -3.170 9.934 1.00 0.00 N ATOM 817 CA VAL A 55 -14.462 -1.805 10.031 1.00 0.00 C ATOM 818 C VAL A 55 -15.817 -1.705 10.642 1.00 0.00 C ATOM 819 O VAL A 55 -16.099 -0.650 11.207 1.00 0.00 O ATOM 820 CB VAL A 55 -14.384 -1.050 8.737 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.884 -1.060 8.396 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.160 -1.703 7.581 1.00 0.00 C ATOM 0 H VAL A 55 -14.417 -3.654 9.116 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.743 -1.318 10.690 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.827 -0.061 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.720 -0.528 7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.326 -0.569 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.541 -2.090 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.053 -1.096 6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.763 -2.701 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.215 -1.776 7.846 1.00 0.00 H new ATOM 832 N ASP A 56 -16.620 -2.784 10.623 1.00 0.00 N ATOM 833 CA ASP A 56 -18.010 -2.829 10.960 1.00 0.00 C ATOM 834 C ASP A 56 -18.093 -2.799 12.447 1.00 0.00 C ATOM 835 O ASP A 56 -18.229 -3.727 13.243 1.00 0.00 O ATOM 836 CB ASP A 56 -18.801 -3.928 10.232 1.00 0.00 C ATOM 837 CG ASP A 56 -20.305 -3.869 10.459 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.950 -2.789 10.518 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.881 -4.959 10.721 1.00 0.00 O ATOM 0 H ASP A 56 -16.266 -3.701 10.349 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.538 -1.955 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.603 -3.855 9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.434 -4.901 10.558 1.00 0.00 H new ATOM 844 N ALA A 57 -18.078 -1.562 12.974 1.00 0.00 N ATOM 845 CA ALA A 57 -18.199 -1.258 14.366 1.00 0.00 C ATOM 846 C ALA A 57 -19.614 -1.259 14.833 1.00 0.00 C ATOM 847 O ALA A 57 -19.995 -1.504 15.977 1.00 0.00 O ATOM 848 CB ALA A 57 -17.555 0.136 14.445 1.00 0.00 C ATOM 0 H ALA A 57 -17.976 -0.728 12.396 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.724 -1.995 15.013 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.583 0.492 15.475 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.520 0.078 14.109 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.105 0.828 13.807 1.00 0.00 H new ATOM 854 N ASP A 58 -20.480 -0.933 13.856 1.00 0.00 N ATOM 855 CA ASP A 58 -21.872 -0.662 14.032 1.00 0.00 C ATOM 856 C ASP A 58 -22.761 -1.858 14.035 1.00 0.00 C ATOM 857 O ASP A 58 -23.609 -1.987 14.917 1.00 0.00 O ATOM 858 CB ASP A 58 -22.448 0.430 13.114 1.00 0.00 C ATOM 859 CG ASP A 58 -22.436 0.110 11.626 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.103 -0.837 11.131 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.802 0.887 10.862 1.00 0.00 O ATOM 0 H ASP A 58 -20.188 -0.854 12.882 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.876 -0.263 15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.476 0.629 13.417 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.885 1.349 13.275 1.00 0.00 H new ATOM 866 N GLY A 59 -22.593 -2.795 13.085 1.00 0.00 N ATOM 867 CA GLY A 59 -23.072 -4.141 13.150 1.00 0.00 C ATOM 868 C GLY A 59 -24.287 -4.425 12.335 1.00 0.00 C ATOM 869 O GLY A 59 -25.096 -5.245 12.767 1.00 0.00 O ATOM 0 H GLY A 59 -22.092 -2.600 12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.274 -4.809 12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.288 -4.382 14.191 1.00 0.00 H new ATOM 873 N ASN A 60 -24.484 -3.831 11.144 1.00 0.00 N ATOM 874 CA ASN A 60 -25.384 -4.263 10.121 1.00 0.00 C ATOM 875 C ASN A 60 -24.806 -5.389 9.335 1.00 0.00 C ATOM 876 O ASN A 60 -25.540 -6.268 8.885 1.00 0.00 O ATOM 877 CB ASN A 60 -25.957 -3.148 9.231 1.00 0.00 C ATOM 878 CG ASN A 60 -24.886 -2.196 8.717 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.681 -2.443 8.747 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.293 -0.966 8.304 1.00 0.00 N ATOM 0 H ASN A 60 -23.976 -2.987 10.879 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.261 -4.633 10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.476 -3.596 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.698 -2.583 9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.604 -0.267 8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.288 -0.742 8.272 1.00 0.00 H new ATOM 887 N GLY A 61 -23.469 -5.509 9.256 1.00 0.00 N ATOM 888 CA GLY A 61 -23.024 -6.573 8.410 1.00 0.00 C ATOM 889 C GLY A 61 -23.026 -6.294 6.946 1.00 0.00 C ATOM 890 O GLY A 61 -23.123 -7.199 6.119 1.00 0.00 O ATOM 0 H GLY A 61 -22.762 -4.940 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.011 -6.845 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.654 -7.443 8.594 1.00 0.00 H new ATOM 894 N THR A 62 -23.071 -4.997 6.592 1.00 0.00 N ATOM 895 CA THR A 62 -23.019 -4.438 5.277 1.00 0.00 C ATOM 896 C THR A 62 -22.081 -3.284 5.367 1.00 0.00 C ATOM 897 O THR A 62 -21.849 -2.766 6.458 1.00 0.00 O ATOM 898 CB THR A 62 -24.367 -4.053 4.743 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.045 -3.213 5.666 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.335 -5.246 4.685 1.00 0.00 C ATOM 0 H THR A 62 -23.152 -4.268 7.301 1.00 0.00 H new ATOM 0 HA THR A 62 -22.667 -5.177 4.557 1.00 0.00 H new ATOM 0 HB THR A 62 -24.157 -3.609 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.922 -2.969 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.296 -4.916 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.923 -6.018 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.473 -5.652 5.687 1.00 0.00 H new ATOM 908 N ILE A 63 -21.511 -2.813 4.244 1.00 0.00 N ATOM 909 CA ILE A 63 -20.759 -1.600 4.336 1.00 0.00 C ATOM 910 C ILE A 63 -21.635 -0.456 3.958 1.00 0.00 C ATOM 911 O ILE A 63 -22.200 -0.394 2.868 1.00 0.00 O ATOM 912 CB ILE A 63 -19.537 -1.631 3.466 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.533 -2.629 4.067 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.876 -0.246 3.365 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.026 -2.168 5.433 1.00 0.00 C ATOM 0 H ILE A 63 -21.563 -3.242 3.320 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.416 -1.485 5.364 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.835 -1.933 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.006 -3.606 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.689 -2.750 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.995 -0.309 2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.583 0.464 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.581 0.090 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.319 -2.899 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.530 -1.203 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -18.867 -2.072 6.120 1.00 0.00 H new ATOM 927 N ASP A 64 -21.817 0.488 4.899 1.00 0.00 N ATOM 928 CA ASP A 64 -22.602 1.650 4.619 1.00 0.00 C ATOM 929 C ASP A 64 -21.794 2.839 4.226 1.00 0.00 C ATOM 930 O ASP A 64 -20.571 2.816 4.093 1.00 0.00 O ATOM 931 CB ASP A 64 -23.624 2.019 5.708 1.00 0.00 C ATOM 932 CG ASP A 64 -22.980 1.860 7.078 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.839 0.711 7.575 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.716 2.909 7.723 1.00 0.00 O ATOM 0 H ASP A 64 -21.427 0.449 5.841 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.182 1.344 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.964 3.045 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.503 1.379 5.630 1.00 0.00 H new ATOM 939 N PHE A 65 -22.388 4.001 3.903 1.00 0.00 N ATOM 940 CA PHE A 65 -21.726 5.144 3.356 1.00 0.00 C ATOM 941 C PHE A 65 -20.761 5.806 4.279 1.00 0.00 C ATOM 942 O PHE A 65 -19.625 6.071 3.888 1.00 0.00 O ATOM 943 CB PHE A 65 -22.628 6.164 2.641 1.00 0.00 C ATOM 944 CG PHE A 65 -21.815 7.238 2.006 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.913 7.098 0.978 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.843 8.467 2.621 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.099 8.096 0.496 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.068 9.498 2.144 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.246 9.345 1.052 1.00 0.00 C ATOM 0 H PHE A 65 -23.389 4.151 4.031 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.132 4.689 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.226 5.658 1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.324 6.603 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.838 6.127 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.476 8.623 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.377 7.907 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.106 10.456 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.723 10.194 0.637 1.00 0.00 H new ATOM 959 N PRO A 66 -20.985 6.109 5.523 1.00 0.00 N ATOM 960 CA PRO A 66 -20.016 6.849 6.279 1.00 0.00 C ATOM 961 C PRO A 66 -18.909 5.970 6.750 1.00 0.00 C ATOM 962 O PRO A 66 -17.772 6.427 6.850 1.00 0.00 O ATOM 963 CB PRO A 66 -20.756 7.525 7.431 1.00 0.00 C ATOM 964 CG PRO A 66 -22.057 6.717 7.565 1.00 0.00 C ATOM 965 CD PRO A 66 -22.300 6.200 6.138 1.00 0.00 C ATOM 0 HA PRO A 66 -19.539 7.607 5.658 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.172 7.497 8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.958 8.574 7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.951 5.898 8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.882 7.338 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.794 5.228 6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.947 6.878 5.581 1.00 0.00 H new ATOM 973 N GLU A 67 -19.212 4.660 6.810 1.00 0.00 N ATOM 974 CA GLU A 67 -18.253 3.608 6.945 1.00 0.00 C ATOM 975 C GLU A 67 -17.375 3.518 5.745 1.00 0.00 C ATOM 976 O GLU A 67 -16.180 3.254 5.867 1.00 0.00 O ATOM 977 CB GLU A 67 -19.020 2.303 7.218 1.00 0.00 C ATOM 978 CG GLU A 67 -18.287 1.162 7.927 1.00 0.00 C ATOM 979 CD GLU A 67 -19.286 0.040 8.172 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.062 -0.366 7.266 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.425 -0.382 9.351 1.00 0.00 O ATOM 0 H GLU A 67 -20.172 4.319 6.762 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.582 3.808 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.899 2.553 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.379 1.923 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.456 0.806 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.865 1.509 8.870 1.00 0.00 H new ATOM 988 N PHE A 68 -17.956 3.671 4.541 1.00 0.00 N ATOM 989 CA PHE A 68 -17.239 3.448 3.324 1.00 0.00 C ATOM 990 C PHE A 68 -16.230 4.531 3.156 1.00 0.00 C ATOM 991 O PHE A 68 -15.056 4.388 2.818 1.00 0.00 O ATOM 992 CB PHE A 68 -18.194 3.339 2.124 1.00 0.00 C ATOM 993 CG PHE A 68 -17.583 3.250 0.768 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.212 2.030 0.254 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.203 4.390 0.099 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.607 1.914 -0.975 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.675 4.289 -1.167 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.337 3.060 -1.685 1.00 0.00 C ATOM 0 H PHE A 68 -18.928 3.951 4.411 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.716 2.493 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.820 2.458 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.855 4.206 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.401 1.138 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.318 5.358 0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.349 0.944 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.525 5.180 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.859 2.995 -2.651 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.632 5.768 3.500 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.773 6.911 3.485 1.00 0.00 C ATOM 1010 C LEU A 69 -14.445 6.674 4.117 1.00 0.00 C ATOM 1011 O LEU A 69 -13.442 7.022 3.496 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.487 8.134 4.086 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.807 9.457 4.476 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.787 10.610 4.748 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.779 9.416 5.619 1.00 0.00 C ATOM 0 H LEU A 69 -17.584 5.979 3.798 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.553 7.118 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.271 8.400 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.982 7.776 4.989 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.243 9.645 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.228 11.507 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.377 10.805 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.451 10.337 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.381 10.417 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.261 9.061 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.965 8.742 5.352 1.00 0.00 H new ATOM 1027 N THR A 70 -14.317 6.119 5.336 1.00 0.00 N ATOM 1028 CA THR A 70 -13.017 6.140 5.932 1.00 0.00 C ATOM 1029 C THR A 70 -12.044 5.180 5.340 1.00 0.00 C ATOM 1030 O THR A 70 -10.890 5.514 5.074 1.00 0.00 O ATOM 1031 CB THR A 70 -12.911 5.854 7.401 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.733 4.846 7.969 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.336 7.190 8.033 1.00 0.00 C ATOM 0 H THR A 70 -15.061 5.682 5.880 1.00 0.00 H new ATOM 0 HA THR A 70 -12.789 7.186 5.729 1.00 0.00 H new ATOM 0 HB THR A 70 -11.905 5.475 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.549 4.776 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.299 7.107 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.659 7.979 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.352 7.433 7.722 1.00 0.00 H new ATOM 1041 N MET A 71 -12.515 3.946 5.089 1.00 0.00 N ATOM 1042 CA MET A 71 -11.734 2.914 4.480 1.00 0.00 C ATOM 1043 C MET A 71 -11.329 3.216 3.078 1.00 0.00 C ATOM 1044 O MET A 71 -10.178 2.989 2.706 1.00 0.00 O ATOM 1045 CB MET A 71 -12.418 1.550 4.671 1.00 0.00 C ATOM 1046 CG MET A 71 -13.706 1.374 3.864 1.00 0.00 C ATOM 1047 SD MET A 71 -14.680 -0.131 4.168 1.00 0.00 S ATOM 1048 CE MET A 71 -13.623 -1.409 3.430 1.00 0.00 C ATOM 0 H MET A 71 -13.467 3.657 5.316 1.00 0.00 H new ATOM 0 HA MET A 71 -10.777 2.865 5.000 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.718 0.763 4.392 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.644 1.415 5.729 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.346 2.235 4.058 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.447 1.401 2.805 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.097 -2.384 3.544 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.481 -1.196 2.370 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.655 -1.415 3.932 1.00 0.00 H new ATOM 1058 N MET A 72 -12.178 3.805 2.217 1.00 0.00 N ATOM 1059 CA MET A 72 -11.890 4.374 0.937 1.00 0.00 C ATOM 1060 C MET A 72 -10.986 5.558 0.965 1.00 0.00 C ATOM 1061 O MET A 72 -10.151 5.669 0.069 1.00 0.00 O ATOM 1062 CB MET A 72 -13.131 4.917 0.208 1.00 0.00 C ATOM 1063 CG MET A 72 -12.969 4.897 -1.313 1.00 0.00 C ATOM 1064 SD MET A 72 -12.818 3.204 -1.958 1.00 0.00 S ATOM 1065 CE MET A 72 -12.744 3.543 -3.741 1.00 0.00 C ATOM 0 H MET A 72 -13.169 3.890 2.444 1.00 0.00 H new ATOM 0 HA MET A 72 -11.433 3.520 0.436 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.001 4.323 0.486 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.324 5.938 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.826 5.386 -1.776 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.085 5.471 -1.591 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.650 2.604 -4.286 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.655 4.054 -4.052 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.882 4.175 -3.956 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.965 6.337 2.061 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.039 7.413 2.231 1.00 0.00 C ATOM 1077 C ALA A 73 -8.660 6.952 2.554 1.00 0.00 C ATOM 1078 O ALA A 73 -7.746 7.621 2.075 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.495 8.413 3.307 1.00 0.00 C ATOM 0 H ALA A 73 -11.605 6.217 2.846 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.017 7.913 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.758 9.211 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.458 8.839 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.593 7.899 4.263 1.00 0.00 H new ATOM 1234 N GLU A 83 3.807 7.095 1.672 1.00 0.00 N ATOM 1235 CA GLU A 83 3.556 7.533 3.009 1.00 0.00 C ATOM 1236 C GLU A 83 2.751 6.672 3.920 1.00 0.00 C ATOM 1237 O GLU A 83 3.123 6.549 5.086 1.00 0.00 O ATOM 1238 CB GLU A 83 2.809 8.877 2.987 1.00 0.00 C ATOM 1239 CG GLU A 83 3.564 10.137 2.557 1.00 0.00 C ATOM 1240 CD GLU A 83 4.786 10.387 3.428 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.596 10.707 4.632 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.927 10.068 2.999 1.00 0.00 O ATOM 0 HA GLU A 83 4.569 7.545 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.950 8.766 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.418 9.053 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.873 10.038 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.897 10.997 2.611 1.00 0.00 H new ATOM 1249 N GLU A 84 1.712 5.983 3.415 1.00 0.00 N ATOM 1250 CA GLU A 84 0.849 5.084 4.117 1.00 0.00 C ATOM 1251 C GLU A 84 1.492 3.862 4.675 1.00 0.00 C ATOM 1252 O GLU A 84 1.252 3.494 5.824 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.532 4.713 3.550 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.608 5.796 3.651 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.122 6.057 5.059 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -2.645 5.060 5.623 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -1.968 7.116 5.725 1.00 0.00 O ATOM 0 H GLU A 84 1.455 6.063 2.431 1.00 0.00 H new ATOM 0 HA GLU A 84 0.624 5.795 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.412 4.444 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.889 3.823 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.206 6.726 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.450 5.512 3.019 1.00 0.00 H new ATOM 1264 N ILE A 85 2.303 3.158 3.865 1.00 0.00 N ATOM 1265 CA ILE A 85 3.030 1.968 4.184 1.00 0.00 C ATOM 1266 C ILE A 85 4.089 2.243 5.195 1.00 0.00 C ATOM 1267 O ILE A 85 4.139 1.515 6.185 1.00 0.00 O ATOM 1268 CB ILE A 85 3.465 1.152 3.003 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.818 1.415 2.320 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.304 0.972 2.010 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.932 2.753 1.589 1.00 0.00 C ATOM 0 H ILE A 85 2.463 3.449 2.901 1.00 0.00 H new ATOM 0 HA ILE A 85 2.322 1.289 4.660 1.00 0.00 H new ATOM 0 HB ILE A 85 3.726 0.207 3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.603 1.364 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.008 0.613 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.640 0.377 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.477 0.462 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.970 1.949 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.923 2.841 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.175 2.806 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.779 3.568 2.296 1.00 0.00 H new ATOM 1283 N ARG A 86 4.828 3.349 4.995 1.00 0.00 N ATOM 1284 CA ARG A 86 5.818 3.802 5.923 1.00 0.00 C ATOM 1285 C ARG A 86 5.360 4.216 7.279 1.00 0.00 C ATOM 1286 O ARG A 86 5.848 3.640 8.250 1.00 0.00 O ATOM 1287 CB ARG A 86 6.706 4.947 5.408 1.00 0.00 C ATOM 1288 CG ARG A 86 7.881 5.269 6.333 1.00 0.00 C ATOM 1289 CD ARG A 86 9.004 6.196 5.861 1.00 0.00 C ATOM 1290 NE ARG A 86 8.527 7.577 6.154 1.00 0.00 N ATOM 1291 CZ ARG A 86 7.642 8.339 5.448 1.00 0.00 C ATOM 1292 NH1 ARG A 86 7.344 8.088 4.140 1.00 0.00 N ATOM 1293 NH2 ARG A 86 7.338 9.612 5.837 1.00 0.00 N ATOM 0 H ARG A 86 4.736 3.942 4.170 1.00 0.00 H new ATOM 0 HA ARG A 86 6.375 2.870 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.091 4.683 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.096 5.842 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.466 5.702 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.341 4.321 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.936 5.983 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.200 6.066 4.797 1.00 0.00 H new ATOM 0 HE ARG A 86 8.913 8.010 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.788 7.308 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.677 8.681 3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.775 10.009 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.674 10.166 5.296 1.00 0.00 H new ATOM 1307 N GLU A 87 4.266 4.987 7.414 1.00 0.00 N ATOM 1308 CA GLU A 87 3.637 5.231 8.675 1.00 0.00 C ATOM 1309 C GLU A 87 2.937 4.041 9.234 1.00 0.00 C ATOM 1310 O GLU A 87 3.031 3.803 10.437 1.00 0.00 O ATOM 1311 CB GLU A 87 2.792 6.513 8.581 1.00 0.00 C ATOM 1312 CG GLU A 87 1.999 6.883 9.835 1.00 0.00 C ATOM 1313 CD GLU A 87 2.946 7.358 10.928 1.00 0.00 C ATOM 1314 OE1 GLU A 87 4.185 7.408 10.706 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.440 7.588 12.059 1.00 0.00 O ATOM 0 H GLU A 87 3.808 5.451 6.629 1.00 0.00 H new ATOM 0 HA GLU A 87 4.405 5.411 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.453 7.344 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.093 6.405 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.278 7.666 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.431 6.021 10.184 1.00 0.00 H new ATOM 1322 N ALA A 88 2.323 3.152 8.432 1.00 0.00 N ATOM 1323 CA ALA A 88 1.756 1.942 8.942 1.00 0.00 C ATOM 1324 C ALA A 88 2.679 0.988 9.618 1.00 0.00 C ATOM 1325 O ALA A 88 2.261 0.364 10.592 1.00 0.00 O ATOM 1326 CB ALA A 88 1.030 1.192 7.813 1.00 0.00 C ATOM 0 H ALA A 88 2.219 3.273 7.425 1.00 0.00 H new ATOM 0 HA ALA A 88 1.085 2.290 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.600 0.271 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.236 1.821 7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.739 0.952 7.021 1.00 0.00 H new ATOM 1332 N PHE A 89 3.932 0.939 9.130 1.00 0.00 N ATOM 1333 CA PHE A 89 4.991 0.260 9.811 1.00 0.00 C ATOM 1334 C PHE A 89 5.370 0.808 11.143 1.00 0.00 C ATOM 1335 O PHE A 89 5.567 0.055 12.096 1.00 0.00 O ATOM 1336 CB PHE A 89 6.194 0.028 8.882 1.00 0.00 C ATOM 1337 CG PHE A 89 7.322 -0.833 9.335 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.263 -0.564 10.301 1.00 0.00 C ATOM 1339 CD2 PHE A 89 7.185 -2.134 8.910 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.078 -1.563 10.780 1.00 0.00 C ATOM 1341 CE2 PHE A 89 7.955 -3.159 9.407 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.965 -2.841 10.284 1.00 0.00 C ATOM 0 H PHE A 89 4.214 1.376 8.252 1.00 0.00 H new ATOM 0 HA PHE A 89 4.574 -0.713 10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.812 -0.398 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.609 1.006 8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.363 0.440 10.687 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.444 -2.359 8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.807 -1.344 11.546 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.772 -4.183 9.117 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.673 -3.599 10.585 1.00 0.00 H new ATOM 1352 N ARG A 90 5.477 2.143 11.272 1.00 0.00 N ATOM 1353 CA ARG A 90 5.622 2.800 12.534 1.00 0.00 C ATOM 1354 C ARG A 90 4.460 2.691 13.460 1.00 0.00 C ATOM 1355 O ARG A 90 4.634 2.625 14.675 1.00 0.00 O ATOM 1356 CB ARG A 90 5.916 4.271 12.197 1.00 0.00 C ATOM 1357 CG ARG A 90 6.198 5.197 13.382 1.00 0.00 C ATOM 1358 CD ARG A 90 7.095 6.420 13.182 1.00 0.00 C ATOM 1359 NE ARG A 90 6.292 7.458 12.477 1.00 0.00 N ATOM 1360 CZ ARG A 90 6.756 8.724 12.263 1.00 0.00 C ATOM 1361 NH1 ARG A 90 8.089 9.004 12.353 1.00 0.00 N ATOM 1362 NH2 ARG A 90 5.852 9.692 11.934 1.00 0.00 N ATOM 0 H ARG A 90 5.462 2.782 10.477 1.00 0.00 H new ATOM 0 HA ARG A 90 6.421 2.309 13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.775 4.303 11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.066 4.672 11.645 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.238 5.553 13.755 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.642 4.591 14.172 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.449 6.796 14.142 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.977 6.156 12.598 1.00 0.00 H new ATOM 0 HE ARG A 90 5.360 7.214 12.141 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.751 8.263 12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.423 9.954 12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.862 9.459 11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.166 10.648 11.768 1.00 0.00 H new ATOM 1376 N VAL A 91 3.236 2.634 12.905 1.00 0.00 N ATOM 1377 CA VAL A 91 2.032 2.396 13.639 1.00 0.00 C ATOM 1378 C VAL A 91 2.131 1.064 14.301 1.00 0.00 C ATOM 1379 O VAL A 91 1.776 0.957 15.474 1.00 0.00 O ATOM 1380 CB VAL A 91 0.720 2.478 12.919 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.439 1.835 13.700 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.400 3.973 12.744 1.00 0.00 C ATOM 0 H VAL A 91 3.079 2.759 11.905 1.00 0.00 H new ATOM 0 HA VAL A 91 1.991 3.239 14.328 1.00 0.00 H new ATOM 0 HB VAL A 91 0.813 1.940 11.976 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.361 1.927 13.125 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.222 0.781 13.871 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.557 2.341 14.658 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.551 4.083 12.222 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.334 4.448 13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.190 4.449 12.163 1.00 0.00 H new ATOM 1392 N PHE A 92 2.815 0.079 13.693 1.00 0.00 N ATOM 1393 CA PHE A 92 3.162 -1.078 14.458 1.00 0.00 C ATOM 1394 C PHE A 92 4.383 -1.041 15.312 1.00 0.00 C ATOM 1395 O PHE A 92 4.270 -1.361 16.494 1.00 0.00 O ATOM 1396 CB PHE A 92 3.430 -2.317 13.586 1.00 0.00 C ATOM 1397 CG PHE A 92 2.094 -2.623 13.002 1.00 0.00 C ATOM 1398 CD1 PHE A 92 1.052 -3.009 13.813 1.00 0.00 C ATOM 1399 CD2 PHE A 92 1.911 -2.470 11.648 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -0.145 -3.407 13.264 1.00 0.00 C ATOM 1401 CE2 PHE A 92 0.652 -2.738 11.164 1.00 0.00 C ATOM 1402 CZ PHE A 92 -0.354 -3.308 11.909 1.00 0.00 C ATOM 0 H PHE A 92 3.116 0.078 12.719 1.00 0.00 H new ATOM 0 HA PHE A 92 2.271 -1.112 15.085 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.169 -2.111 12.812 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.811 -3.150 14.177 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.174 -3.000 14.886 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.714 -2.156 10.998 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.924 -3.799 13.901 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.440 -2.485 10.136 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.266 -3.661 11.451 1.00 0.00 H new ATOM 1412 N ASP A 93 5.570 -0.652 14.813 1.00 0.00 N ATOM 1413 CA ASP A 93 6.836 -0.727 15.473 1.00 0.00 C ATOM 1414 C ASP A 93 6.815 0.205 16.635 1.00 0.00 C ATOM 1415 O ASP A 93 7.048 1.410 16.561 1.00 0.00 O ATOM 1416 CB ASP A 93 7.996 -0.342 14.538 1.00 0.00 C ATOM 1417 CG ASP A 93 9.388 -0.652 15.067 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.461 -1.351 16.113 1.00 0.00 O ATOM 1419 OD2 ASP A 93 10.370 -0.139 14.466 1.00 0.00 O ATOM 0 H ASP A 93 5.649 -0.255 13.877 1.00 0.00 H new ATOM 0 HA ASP A 93 6.998 -1.756 15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.863 -0.860 13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.934 0.726 14.330 1.00 0.00 H new ATOM 1424 N LYS A 94 6.610 -0.256 17.882 1.00 0.00 N ATOM 1425 CA LYS A 94 6.406 0.483 19.089 1.00 0.00 C ATOM 1426 C LYS A 94 7.690 1.117 19.498 1.00 0.00 C ATOM 1427 O LYS A 94 7.828 2.337 19.581 1.00 0.00 O ATOM 1428 CB LYS A 94 5.743 -0.372 20.183 1.00 0.00 C ATOM 1429 CG LYS A 94 5.261 0.414 21.404 1.00 0.00 C ATOM 1430 CD LYS A 94 4.270 1.536 21.092 1.00 0.00 C ATOM 1431 CE LYS A 94 3.724 2.170 22.374 1.00 0.00 C ATOM 1432 NZ LYS A 94 2.448 2.901 22.209 1.00 0.00 N ATOM 0 H LYS A 94 6.585 -1.260 18.060 1.00 0.00 H new ATOM 0 HA LYS A 94 5.692 1.288 18.913 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.893 -0.899 19.748 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.453 -1.130 20.513 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.795 -0.279 22.104 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.127 0.843 21.908 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.760 2.299 20.487 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.445 1.141 20.500 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.584 1.387 23.119 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.472 2.857 22.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.145 3.282 23.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.581 3.683 21.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.721 2.252 21.846 1.00 0.00 H new ATOM 1446 N ASP A 95 8.766 0.319 19.622 1.00 0.00 N ATOM 1447 CA ASP A 95 10.057 0.666 20.130 1.00 0.00 C ATOM 1448 C ASP A 95 10.882 1.571 19.281 1.00 0.00 C ATOM 1449 O ASP A 95 11.697 2.373 19.735 1.00 0.00 O ATOM 1450 CB ASP A 95 10.799 -0.611 20.560 1.00 0.00 C ATOM 1451 CG ASP A 95 10.905 -1.765 19.573 1.00 0.00 C ATOM 1452 OD1 ASP A 95 11.274 -1.568 18.385 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.523 -2.885 20.005 1.00 0.00 O ATOM 0 H ASP A 95 8.726 -0.660 19.339 1.00 0.00 H new ATOM 0 HA ASP A 95 9.877 1.295 21.002 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.812 -0.325 20.843 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.312 -0.989 21.459 1.00 0.00 H new ATOM 1458 N GLY A 96 10.871 1.264 17.972 1.00 0.00 N ATOM 1459 CA GLY A 96 11.650 1.941 16.981 1.00 0.00 C ATOM 1460 C GLY A 96 12.863 1.205 16.526 1.00 0.00 C ATOM 1461 O GLY A 96 13.725 1.831 15.911 1.00 0.00 O ATOM 0 H GLY A 96 10.296 0.514 17.588 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.017 2.140 16.116 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.958 2.908 17.380 1.00 0.00 H new ATOM 1465 N ASN A 97 13.007 -0.124 16.672 1.00 0.00 N ATOM 1466 CA ASN A 97 14.101 -0.895 16.168 1.00 0.00 C ATOM 1467 C ASN A 97 14.157 -1.002 14.683 1.00 0.00 C ATOM 1468 O ASN A 97 15.237 -1.143 14.111 1.00 0.00 O ATOM 1469 CB ASN A 97 14.386 -2.171 16.979 1.00 0.00 C ATOM 1470 CG ASN A 97 13.314 -3.230 16.768 1.00 0.00 C ATOM 1471 OD1 ASN A 97 12.273 -3.017 16.149 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.523 -4.456 17.319 1.00 0.00 N ATOM 0 H ASN A 97 12.321 -0.692 17.170 1.00 0.00 H new ATOM 0 HA ASN A 97 14.993 -0.299 16.361 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.357 -2.575 16.691 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.446 -1.922 18.038 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.820 -5.188 17.217 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.383 -4.644 17.834 1.00 0.00 H new ATOM 1479 N GLY A 98 13.001 -0.942 13.999 1.00 0.00 N ATOM 1480 CA GLY A 98 12.895 -1.145 12.587 1.00 0.00 C ATOM 1481 C GLY A 98 12.197 -2.399 12.186 1.00 0.00 C ATOM 1482 O GLY A 98 12.089 -2.738 11.009 1.00 0.00 O ATOM 0 H GLY A 98 12.106 -0.745 14.446 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.367 -0.297 12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.897 -1.151 12.159 1.00 0.00 H new ATOM 1486 N TYR A 99 11.728 -3.131 13.212 1.00 0.00 N ATOM 1487 CA TYR A 99 11.292 -4.488 13.094 1.00 0.00 C ATOM 1488 C TYR A 99 10.063 -4.647 13.921 1.00 0.00 C ATOM 1489 O TYR A 99 9.970 -4.255 15.083 1.00 0.00 O ATOM 1490 CB TYR A 99 12.371 -5.463 13.594 1.00 0.00 C ATOM 1491 CG TYR A 99 13.527 -5.481 12.655 1.00 0.00 C ATOM 1492 CD1 TYR A 99 13.415 -6.164 11.466 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.752 -4.966 13.009 1.00 0.00 C ATOM 1494 CE1 TYR A 99 14.527 -6.553 10.758 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.867 -5.193 12.237 1.00 0.00 C ATOM 1496 CZ TYR A 99 15.734 -6.023 11.148 1.00 0.00 C ATOM 1497 OH TYR A 99 16.907 -6.390 10.456 1.00 0.00 O ATOM 0 H TYR A 99 11.649 -2.764 14.160 1.00 0.00 H new ATOM 0 HA TYR A 99 11.094 -4.714 12.046 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.706 -5.167 14.588 1.00 0.00 H new ATOM 0 HB3 TYR A 99 11.952 -6.465 13.684 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.434 -6.399 11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.840 -4.374 13.908 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.456 -7.245 9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.815 -4.735 12.477 1.00 0.00 H new ATOM 0 HH TYR A 99 17.677 -5.930 10.851 1.00 0.00 H new ATOM 1507 N ILE A 100 9.049 -5.346 13.381 1.00 0.00 N ATOM 1508 CA ILE A 100 7.810 -5.696 14.004 1.00 0.00 C ATOM 1509 C ILE A 100 7.923 -7.023 14.671 1.00 0.00 C ATOM 1510 O ILE A 100 8.211 -8.069 14.091 1.00 0.00 O ATOM 1511 CB ILE A 100 6.647 -5.797 13.061 1.00 0.00 C ATOM 1512 CG1 ILE A 100 6.311 -4.408 12.494 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.328 -6.289 13.680 1.00 0.00 C ATOM 1514 CD1 ILE A 100 5.550 -4.437 11.170 1.00 0.00 C ATOM 0 H ILE A 100 9.103 -5.696 12.424 1.00 0.00 H new ATOM 0 HA ILE A 100 7.620 -4.884 14.705 1.00 0.00 H new ATOM 0 HB ILE A 100 6.983 -6.524 12.322 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.718 -3.862 13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.238 -3.851 12.355 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.556 -6.324 12.911 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.471 -7.286 14.096 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.021 -5.606 14.472 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.353 -3.417 10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.148 -4.952 10.418 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.605 -4.963 11.305 1.00 0.00 H new ATOM 1526 N SER A 101 7.753 -6.970 16.004 1.00 0.00 N ATOM 1527 CA SER A 101 7.547 -8.147 16.788 1.00 0.00 C ATOM 1528 C SER A 101 6.100 -8.500 16.838 1.00 0.00 C ATOM 1529 O SER A 101 5.204 -7.684 16.628 1.00 0.00 O ATOM 1530 CB SER A 101 8.048 -7.937 18.227 1.00 0.00 C ATOM 1531 OG SER A 101 7.481 -6.786 18.835 1.00 0.00 O ATOM 0 H SER A 101 7.758 -6.104 16.542 1.00 0.00 H new ATOM 0 HA SER A 101 8.107 -8.955 16.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.807 -8.816 18.825 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.134 -7.844 18.221 1.00 0.00 H new ATOM 0 HG SER A 101 7.921 -5.982 18.487 1.00 0.00 H new ATOM 1537 N ALA A 102 5.736 -9.725 17.258 1.00 0.00 N ATOM 1538 CA ALA A 102 4.410 -10.196 17.513 1.00 0.00 C ATOM 1539 C ALA A 102 3.632 -9.317 18.430 1.00 0.00 C ATOM 1540 O ALA A 102 2.452 -9.090 18.169 1.00 0.00 O ATOM 1541 CB ALA A 102 4.404 -11.607 18.126 1.00 0.00 C ATOM 0 H ALA A 102 6.433 -10.448 17.434 1.00 0.00 H new ATOM 0 HA ALA A 102 3.938 -10.199 16.530 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.376 -11.923 18.302 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.885 -12.304 17.440 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.947 -11.595 19.071 1.00 0.00 H new ATOM 1547 N ALA A 103 4.215 -8.904 19.570 1.00 0.00 N ATOM 1548 CA ALA A 103 3.644 -8.090 20.598 1.00 0.00 C ATOM 1549 C ALA A 103 3.259 -6.703 20.214 1.00 0.00 C ATOM 1550 O ALA A 103 2.375 -6.043 20.757 1.00 0.00 O ATOM 1551 CB ALA A 103 4.727 -8.164 21.687 1.00 0.00 C ATOM 0 H ALA A 103 5.176 -9.166 19.790 1.00 0.00 H new ATOM 0 HA ALA A 103 2.665 -8.454 20.909 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.416 -7.574 22.550 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.869 -9.202 21.989 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.664 -7.768 21.296 1.00 0.00 H new ATOM 1557 N GLU A 104 3.953 -6.264 19.149 1.00 0.00 N ATOM 1558 CA GLU A 104 3.580 -5.052 18.488 1.00 0.00 C ATOM 1559 C GLU A 104 2.425 -5.146 17.551 1.00 0.00 C ATOM 1560 O GLU A 104 1.595 -4.241 17.494 1.00 0.00 O ATOM 1561 CB GLU A 104 4.779 -4.416 17.763 1.00 0.00 C ATOM 1562 CG GLU A 104 5.871 -4.008 18.753 1.00 0.00 C ATOM 1563 CD GLU A 104 7.225 -3.701 18.128 1.00 0.00 C ATOM 1564 OE1 GLU A 104 7.751 -4.586 17.402 1.00 0.00 O ATOM 1565 OE2 GLU A 104 7.784 -2.595 18.360 1.00 0.00 O ATOM 0 H GLU A 104 4.762 -6.740 18.750 1.00 0.00 H new ATOM 0 HA GLU A 104 3.241 -4.415 19.305 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.186 -5.122 17.039 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.447 -3.542 17.203 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.533 -3.129 19.301 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.997 -4.809 19.482 1.00 0.00 H new ATOM 1572 N LEU A 105 2.242 -6.324 16.927 1.00 0.00 N ATOM 1573 CA LEU A 105 1.033 -6.672 16.248 1.00 0.00 C ATOM 1574 C LEU A 105 -0.080 -6.878 17.217 1.00 0.00 C ATOM 1575 O LEU A 105 -1.250 -6.598 16.959 1.00 0.00 O ATOM 1576 CB LEU A 105 1.293 -7.864 15.311 1.00 0.00 C ATOM 1577 CG LEU A 105 0.144 -8.480 14.495 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -0.389 -7.517 13.421 1.00 0.00 C ATOM 1579 CD2 LEU A 105 0.633 -9.756 13.789 1.00 0.00 C ATOM 0 H LEU A 105 2.954 -7.054 16.894 1.00 0.00 H new ATOM 0 HA LEU A 105 0.704 -5.849 15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.061 -7.555 14.602 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.721 -8.662 15.917 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.660 -8.701 15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.199 -7.997 12.871 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.762 -6.610 13.898 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.415 -7.260 12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.184 -10.189 13.212 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.458 -9.509 13.120 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.973 -10.476 14.533 1.00 0.00 H new ATOM 1591 N ARG A 106 0.209 -7.399 18.422 1.00 0.00 N ATOM 1592 CA ARG A 106 -0.788 -7.512 19.442 1.00 0.00 C ATOM 1593 C ARG A 106 -1.207 -6.183 19.972 1.00 0.00 C ATOM 1594 O ARG A 106 -2.383 -5.927 20.224 1.00 0.00 O ATOM 1595 CB ARG A 106 -0.182 -8.369 20.565 1.00 0.00 C ATOM 1596 CG ARG A 106 -1.205 -9.164 21.379 1.00 0.00 C ATOM 1597 CD ARG A 106 -0.570 -10.112 22.398 1.00 0.00 C ATOM 1598 NE ARG A 106 -1.670 -10.981 22.902 1.00 0.00 N ATOM 1599 CZ ARG A 106 -1.536 -12.251 23.384 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -0.335 -12.890 23.486 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -2.650 -13.034 23.483 1.00 0.00 N ATOM 0 H ARG A 106 1.131 -7.742 18.691 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.686 -7.970 19.028 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.535 -9.064 20.128 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.375 -7.719 21.240 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.861 -8.468 21.902 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.830 -9.741 20.698 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.217 -10.709 21.936 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.110 -9.554 23.214 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.612 -10.590 22.885 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.521 -12.417 23.194 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.293 -13.840 23.854 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.558 -12.667 23.200 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.574 -13.986 23.840 1.00 0.00 H new ATOM 1615 N HIS A 107 -0.252 -5.244 20.096 1.00 0.00 N ATOM 1616 CA HIS A 107 -0.539 -3.923 20.561 1.00 0.00 C ATOM 1617 C HIS A 107 -1.453 -3.109 19.711 1.00 0.00 C ATOM 1618 O HIS A 107 -2.394 -2.509 20.228 1.00 0.00 O ATOM 1619 CB HIS A 107 0.783 -3.155 20.724 1.00 0.00 C ATOM 1620 CG HIS A 107 0.650 -1.708 21.096 1.00 0.00 C ATOM 1621 ND1 HIS A 107 0.160 -1.306 22.322 1.00 0.00 N ATOM 1622 CD2 HIS A 107 0.833 -0.566 20.381 1.00 0.00 C ATOM 1623 CE1 HIS A 107 0.165 0.053 22.340 1.00 0.00 C ATOM 1624 NE2 HIS A 107 0.629 0.527 21.198 1.00 0.00 N ATOM 0 H HIS A 107 0.730 -5.403 19.871 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.071 -4.068 21.501 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.381 -3.654 21.487 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.339 -3.222 19.789 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.150 -1.918 23.077 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.097 -0.521 19.335 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.164 0.660 23.171 1.00 0.00 H new ATOM 1632 N VAL A 108 -1.158 -2.978 18.405 1.00 0.00 N ATOM 1633 CA VAL A 108 -2.075 -2.346 17.508 1.00 0.00 C ATOM 1634 C VAL A 108 -3.438 -2.937 17.399 1.00 0.00 C ATOM 1635 O VAL A 108 -4.421 -2.197 17.381 1.00 0.00 O ATOM 1636 CB VAL A 108 -1.483 -2.148 16.144 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -2.527 -1.727 15.096 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -0.455 -1.021 16.339 1.00 0.00 C ATOM 0 H VAL A 108 -0.294 -3.306 17.974 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.240 -1.383 17.992 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.053 -3.076 15.768 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.041 -1.599 14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.294 -2.497 15.017 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.987 -0.786 15.398 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.033 -0.805 15.388 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.961 -0.125 16.699 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.293 -1.333 17.068 1.00 0.00 H new ATOM 1648 N MET A 109 -3.566 -4.275 17.443 1.00 0.00 N ATOM 1649 CA MET A 109 -4.840 -4.924 17.463 1.00 0.00 C ATOM 1650 C MET A 109 -5.561 -4.729 18.752 1.00 0.00 C ATOM 1651 O MET A 109 -6.790 -4.702 18.717 1.00 0.00 O ATOM 1652 CB MET A 109 -4.635 -6.435 17.260 1.00 0.00 C ATOM 1653 CG MET A 109 -4.050 -6.898 15.924 1.00 0.00 C ATOM 1654 SD MET A 109 -5.372 -6.926 14.677 1.00 0.00 S ATOM 1655 CE MET A 109 -4.454 -7.672 13.300 1.00 0.00 C ATOM 0 H MET A 109 -2.773 -4.916 17.465 1.00 0.00 H new ATOM 0 HA MET A 109 -5.439 -4.483 16.666 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.982 -6.795 18.055 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.599 -6.926 17.392 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.251 -6.227 15.610 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.610 -7.890 16.029 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.536 -7.034 12.420 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.405 -7.776 13.576 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.869 -8.655 13.076 1.00 0.00 H new ATOM 1665 N THR A 110 -4.931 -4.482 19.914 1.00 0.00 N ATOM 1666 CA THR A 110 -5.677 -4.081 21.066 1.00 0.00 C ATOM 1667 C THR A 110 -5.960 -2.620 21.125 1.00 0.00 C ATOM 1668 O THR A 110 -6.842 -2.152 21.844 1.00 0.00 O ATOM 1669 CB THR A 110 -5.035 -4.427 22.377 1.00 0.00 C ATOM 1670 OG1 THR A 110 -3.673 -4.025 22.412 1.00 0.00 O ATOM 1671 CG2 THR A 110 -5.162 -5.950 22.547 1.00 0.00 C ATOM 0 H THR A 110 -3.924 -4.558 20.056 1.00 0.00 H new ATOM 0 HA THR A 110 -6.597 -4.650 20.935 1.00 0.00 H new ATOM 0 HB THR A 110 -5.530 -3.900 23.193 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.480 -3.457 21.637 1.00 0.00 H new ATOM 0 HG21 THR A 110 -4.707 -6.250 23.491 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.216 -6.229 22.547 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.654 -6.452 21.724 1.00 0.00 H new ATOM 1679 N ASN A 111 -5.261 -1.777 20.345 1.00 0.00 N ATOM 1680 CA ASN A 111 -5.430 -0.362 20.221 1.00 0.00 C ATOM 1681 C ASN A 111 -6.680 -0.098 19.453 1.00 0.00 C ATOM 1682 O ASN A 111 -7.594 0.611 19.870 1.00 0.00 O ATOM 1683 CB ASN A 111 -4.231 0.313 19.533 1.00 0.00 C ATOM 1684 CG ASN A 111 -3.924 1.729 19.998 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -3.049 1.986 20.823 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -4.565 2.665 19.248 1.00 0.00 N ATOM 0 H ASN A 111 -4.509 -2.119 19.747 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.497 0.065 21.222 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.347 -0.304 19.694 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.414 0.333 18.459 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.328 3.652 19.352 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.282 2.380 18.581 1.00 0.00 H new ATOM 1693 N LEU A 112 -6.844 -0.965 18.437 1.00 0.00 N ATOM 1694 CA LEU A 112 -8.052 -0.959 17.672 1.00 0.00 C ATOM 1695 C LEU A 112 -9.191 -1.603 18.383 1.00 0.00 C ATOM 1696 O LEU A 112 -10.324 -1.129 18.314 1.00 0.00 O ATOM 1697 CB LEU A 112 -7.783 -1.778 16.398 1.00 0.00 C ATOM 1698 CG LEU A 112 -6.764 -1.118 15.454 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -6.494 -2.112 14.311 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -7.262 0.268 15.013 1.00 0.00 C ATOM 0 H LEU A 112 -6.154 -1.658 18.149 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.325 0.078 17.475 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.420 -2.766 16.680 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.722 -1.924 15.863 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.811 -0.914 15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.773 -1.681 13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.092 -3.038 14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.425 -2.322 13.784 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.530 0.722 14.345 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.213 0.164 14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.396 0.902 15.889 1.00 0.00 H new ATOM 1712 N GLY A 113 -8.988 -2.749 19.057 1.00 0.00 N ATOM 1713 CA GLY A 113 -9.966 -3.607 19.650 1.00 0.00 C ATOM 1714 C GLY A 113 -10.359 -4.862 18.949 1.00 0.00 C ATOM 1715 O GLY A 113 -11.433 -5.402 19.213 1.00 0.00 O ATOM 0 H GLY A 113 -8.044 -3.108 19.199 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.601 -3.885 20.639 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.871 -3.018 19.798 1.00 0.00 H new ATOM 1719 N GLU A 114 -9.463 -5.527 18.199 1.00 0.00 N ATOM 1720 CA GLU A 114 -9.764 -6.859 17.775 1.00 0.00 C ATOM 1721 C GLU A 114 -9.342 -7.775 18.872 1.00 0.00 C ATOM 1722 O GLU A 114 -8.518 -7.365 19.687 1.00 0.00 O ATOM 1723 CB GLU A 114 -8.925 -7.197 16.531 1.00 0.00 C ATOM 1724 CG GLU A 114 -9.014 -8.595 15.914 1.00 0.00 C ATOM 1725 CD GLU A 114 -10.458 -8.978 15.626 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -11.248 -9.204 16.581 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -10.789 -9.058 14.413 1.00 0.00 O ATOM 0 H GLU A 114 -8.561 -5.160 17.895 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.825 -6.958 17.546 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.191 -6.480 15.754 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.880 -7.019 16.785 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.436 -8.625 14.991 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.570 -9.324 16.592 1.00 0.00 H new ATOM 1734 N LYS A 115 -10.008 -8.942 18.936 1.00 0.00 N ATOM 1735 CA LYS A 115 -9.819 -9.943 19.940 1.00 0.00 C ATOM 1736 C LYS A 115 -8.997 -11.104 19.496 1.00 0.00 C ATOM 1737 O LYS A 115 -9.152 -11.672 18.416 1.00 0.00 O ATOM 1738 CB LYS A 115 -11.202 -10.406 20.428 1.00 0.00 C ATOM 1739 CG LYS A 115 -12.112 -9.345 21.049 1.00 0.00 C ATOM 1740 CD LYS A 115 -13.468 -9.962 21.399 1.00 0.00 C ATOM 1741 CE LYS A 115 -14.646 -9.004 21.213 1.00 0.00 C ATOM 1742 NZ LYS A 115 -14.762 -8.563 19.805 1.00 0.00 N ATOM 0 H LYS A 115 -10.717 -9.201 18.250 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.249 -9.491 20.751 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.728 -10.850 19.583 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.054 -11.197 21.163 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.647 -8.934 21.945 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.248 -8.517 20.353 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.627 -10.844 20.778 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.447 -10.301 22.435 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.569 -9.495 21.520 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.517 -8.136 21.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.745 -8.287 19.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.135 -7.749 19.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -14.488 -9.342 19.173 1.00 0.00 H new ATOM 1756 N LEU A 116 -8.009 -11.432 20.347 1.00 0.00 N ATOM 1757 CA LEU A 116 -6.947 -12.307 19.958 1.00 0.00 C ATOM 1758 C LEU A 116 -6.730 -13.421 20.923 1.00 0.00 C ATOM 1759 O LEU A 116 -6.606 -13.188 22.125 1.00 0.00 O ATOM 1760 CB LEU A 116 -5.674 -11.527 19.587 1.00 0.00 C ATOM 1761 CG LEU A 116 -5.796 -10.830 18.221 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -4.590 -9.882 18.116 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -5.725 -11.817 17.043 1.00 0.00 C ATOM 0 H LEU A 116 -7.945 -11.091 21.306 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.258 -12.808 19.042 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.470 -10.782 20.356 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.824 -12.209 19.570 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.760 -10.324 18.164 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.622 -9.356 17.162 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.624 -9.158 18.930 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.667 -10.459 18.181 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.816 -11.270 16.104 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.770 -12.342 17.066 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.538 -12.538 17.123 1.00 0.00 H new ATOM 1775 N THR A 117 -6.572 -14.681 20.479 1.00 0.00 N ATOM 1776 CA THR A 117 -5.834 -15.731 21.110 1.00 0.00 C ATOM 1777 C THR A 117 -4.408 -15.562 20.714 1.00 0.00 C ATOM 1778 O THR A 117 -4.151 -14.874 19.727 1.00 0.00 O ATOM 1779 CB THR A 117 -6.389 -17.084 20.775 1.00 0.00 C ATOM 1780 OG1 THR A 117 -6.260 -17.373 19.390 1.00 0.00 O ATOM 1781 CG2 THR A 117 -7.874 -17.148 21.170 1.00 0.00 C ATOM 0 H THR A 117 -6.997 -14.989 19.605 1.00 0.00 H new ATOM 0 HA THR A 117 -5.917 -15.668 22.195 1.00 0.00 H new ATOM 0 HB THR A 117 -5.819 -17.826 21.334 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.879 -16.811 18.879 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.274 -18.132 20.925 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.973 -16.972 22.241 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.429 -16.385 20.624 1.00 0.00 H new ATOM 1789 N ASP A 118 -3.454 -16.252 21.365 1.00 0.00 N ATOM 1790 CA ASP A 118 -2.048 -16.195 21.111 1.00 0.00 C ATOM 1791 C ASP A 118 -1.674 -16.802 19.802 1.00 0.00 C ATOM 1792 O ASP A 118 -0.839 -16.210 19.121 1.00 0.00 O ATOM 1793 CB ASP A 118 -1.240 -16.911 22.206 1.00 0.00 C ATOM 1794 CG ASP A 118 -1.052 -15.975 23.392 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -2.043 -15.515 24.019 1.00 0.00 O ATOM 1796 OD2 ASP A 118 0.119 -15.591 23.653 1.00 0.00 O ATOM 0 H ASP A 118 -3.683 -16.895 22.123 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.807 -15.132 21.098 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.758 -17.816 22.522 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.270 -17.219 21.815 1.00 0.00 H new ATOM 1801 N GLU A 119 -2.248 -17.928 19.341 1.00 0.00 N ATOM 1802 CA GLU A 119 -1.986 -18.409 18.020 1.00 0.00 C ATOM 1803 C GLU A 119 -2.437 -17.545 16.893 1.00 0.00 C ATOM 1804 O GLU A 119 -1.746 -17.531 15.876 1.00 0.00 O ATOM 1805 CB GLU A 119 -2.604 -19.801 17.804 1.00 0.00 C ATOM 1806 CG GLU A 119 -2.453 -20.518 16.461 1.00 0.00 C ATOM 1807 CD GLU A 119 -3.244 -21.812 16.324 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -4.504 -21.804 16.346 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.541 -22.857 16.343 1.00 0.00 O ATOM 0 H GLU A 119 -2.892 -18.504 19.882 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.897 -18.423 17.987 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.190 -20.459 18.568 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.672 -19.713 18.004 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.761 -19.837 15.667 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.397 -20.738 16.301 1.00 0.00 H new ATOM 1816 N GLU A 120 -3.554 -16.809 17.027 1.00 0.00 N ATOM 1817 CA GLU A 120 -3.908 -15.858 16.019 1.00 0.00 C ATOM 1818 C GLU A 120 -2.844 -14.846 15.767 1.00 0.00 C ATOM 1819 O GLU A 120 -2.597 -14.480 14.619 1.00 0.00 O ATOM 1820 CB GLU A 120 -5.263 -15.215 16.361 1.00 0.00 C ATOM 1821 CG GLU A 120 -6.468 -16.155 16.299 1.00 0.00 C ATOM 1822 CD GLU A 120 -7.696 -15.491 16.904 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -7.894 -15.467 18.148 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -8.580 -15.095 16.097 1.00 0.00 O ATOM 0 H GLU A 120 -4.200 -16.868 17.814 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.009 -16.396 15.076 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -5.203 -14.794 17.364 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.435 -14.385 15.676 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.669 -16.429 15.263 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.245 -17.077 16.836 1.00 0.00 H new ATOM 1831 N VAL A 121 -2.087 -14.313 16.742 1.00 0.00 N ATOM 1832 CA VAL A 121 -0.975 -13.456 16.471 1.00 0.00 C ATOM 1833 C VAL A 121 0.131 -14.129 15.734 1.00 0.00 C ATOM 1834 O VAL A 121 0.757 -13.564 14.838 1.00 0.00 O ATOM 1835 CB VAL A 121 -0.383 -12.786 17.675 1.00 0.00 C ATOM 1836 CG1 VAL A 121 0.377 -11.523 17.237 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -1.477 -12.520 18.723 1.00 0.00 C ATOM 0 H VAL A 121 -2.249 -14.480 17.735 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.430 -12.691 15.841 1.00 0.00 H new ATOM 0 HB VAL A 121 0.345 -13.437 18.159 1.00 0.00 H new ATOM 0 HG11 VAL A 121 0.807 -11.036 18.112 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.174 -11.799 16.546 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.311 -10.838 16.742 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.037 -12.033 19.593 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.242 -11.873 18.294 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.929 -13.465 19.026 1.00 0.00 H new ATOM 1847 N ASP A 122 0.491 -15.356 16.152 1.00 0.00 N ATOM 1848 CA ASP A 122 1.603 -16.045 15.572 1.00 0.00 C ATOM 1849 C ASP A 122 1.349 -16.345 14.135 1.00 0.00 C ATOM 1850 O ASP A 122 2.245 -16.238 13.299 1.00 0.00 O ATOM 1851 CB ASP A 122 1.729 -17.393 16.301 1.00 0.00 C ATOM 1852 CG ASP A 122 3.103 -18.043 16.233 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.070 -17.488 16.819 1.00 0.00 O ATOM 1854 OD2 ASP A 122 3.223 -19.172 15.686 1.00 0.00 O ATOM 0 H ASP A 122 0.013 -15.871 16.891 1.00 0.00 H new ATOM 0 HA ASP A 122 2.498 -15.429 15.660 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.466 -17.247 17.349 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.997 -18.084 15.882 1.00 0.00 H new ATOM 1859 N GLU A 123 0.137 -16.830 13.810 1.00 0.00 N ATOM 1860 CA GLU A 123 -0.372 -17.185 12.522 1.00 0.00 C ATOM 1861 C GLU A 123 -0.153 -16.125 11.497 1.00 0.00 C ATOM 1862 O GLU A 123 0.433 -16.346 10.439 1.00 0.00 O ATOM 1863 CB GLU A 123 -1.831 -17.670 12.564 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.258 -18.556 11.391 1.00 0.00 C ATOM 1865 CD GLU A 123 -3.665 -19.126 11.296 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -4.534 -18.374 10.779 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -3.800 -20.314 11.694 1.00 0.00 O ATOM 0 H GLU A 123 -0.562 -16.990 14.535 1.00 0.00 H new ATOM 0 HA GLU A 123 0.221 -18.042 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.987 -18.222 13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.486 -16.799 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -2.087 -17.981 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.571 -19.402 11.367 1.00 0.00 H new ATOM 1874 N MET A 124 -0.459 -14.879 11.900 1.00 0.00 N ATOM 1875 CA MET A 124 -0.202 -13.695 11.140 1.00 0.00 C ATOM 1876 C MET A 124 1.216 -13.286 10.936 1.00 0.00 C ATOM 1877 O MET A 124 1.587 -12.958 9.810 1.00 0.00 O ATOM 1878 CB MET A 124 -0.927 -12.441 11.658 1.00 0.00 C ATOM 1879 CG MET A 124 -2.427 -12.738 11.706 1.00 0.00 C ATOM 1880 SD MET A 124 -3.486 -11.267 11.841 1.00 0.00 S ATOM 1881 CE MET A 124 -3.632 -11.240 13.651 1.00 0.00 C ATOM 0 H MET A 124 -0.906 -14.688 12.797 1.00 0.00 H new ATOM 0 HA MET A 124 -0.596 -14.038 10.183 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.561 -12.173 12.649 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.729 -11.591 11.005 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.704 -13.288 10.806 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.627 -13.393 12.554 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.644 -11.526 13.939 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.920 -11.942 14.084 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.420 -10.236 14.018 1.00 0.00 H new ATOM 1891 N ILE A 125 2.070 -13.436 11.964 1.00 0.00 N ATOM 1892 CA ILE A 125 3.477 -13.268 11.776 1.00 0.00 C ATOM 1893 C ILE A 125 4.162 -14.223 10.860 1.00 0.00 C ATOM 1894 O ILE A 125 5.042 -13.892 10.067 1.00 0.00 O ATOM 1895 CB ILE A 125 4.164 -13.274 13.110 1.00 0.00 C ATOM 1896 CG1 ILE A 125 3.959 -12.100 14.082 1.00 0.00 C ATOM 1897 CG2 ILE A 125 5.689 -13.425 12.984 1.00 0.00 C ATOM 1898 CD1 ILE A 125 4.577 -10.747 13.733 1.00 0.00 C ATOM 0 H ILE A 125 1.790 -13.671 12.916 1.00 0.00 H new ATOM 0 HA ILE A 125 3.561 -12.309 11.265 1.00 0.00 H new ATOM 0 HB ILE A 125 3.650 -14.132 13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.886 -11.953 14.202 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.350 -12.402 15.054 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.138 -13.423 13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.921 -14.364 12.482 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.090 -12.594 12.403 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.342 -10.027 14.517 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.659 -10.852 13.649 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.172 -10.396 12.784 1.00 0.00 H new ATOM 1910 N ARG A 126 3.701 -15.486 10.853 1.00 0.00 N ATOM 1911 CA ARG A 126 4.011 -16.551 9.950 1.00 0.00 C ATOM 1912 C ARG A 126 3.808 -16.189 8.519 1.00 0.00 C ATOM 1913 O ARG A 126 4.648 -16.377 7.640 1.00 0.00 O ATOM 1914 CB ARG A 126 3.408 -17.870 10.462 1.00 0.00 C ATOM 1915 CG ARG A 126 4.183 -18.396 11.671 1.00 0.00 C ATOM 1916 CD ARG A 126 3.464 -19.632 12.217 1.00 0.00 C ATOM 1917 NE ARG A 126 4.303 -20.121 13.346 1.00 0.00 N ATOM 1918 CZ ARG A 126 5.205 -21.139 13.231 1.00 0.00 C ATOM 1919 NH1 ARG A 126 5.521 -21.798 12.079 1.00 0.00 N ATOM 1920 NH2 ARG A 126 5.989 -21.473 14.298 1.00 0.00 N ATOM 0 H ARG A 126 3.035 -15.792 11.562 1.00 0.00 H new ATOM 0 HA ARG A 126 5.085 -16.738 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.364 -17.715 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.422 -18.614 9.665 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.204 -18.649 11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.249 -17.627 12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.459 -19.382 12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.360 -20.396 11.447 1.00 0.00 H new ATOM 0 HE ARG A 126 4.198 -19.671 14.255 1.00 0.00 H new ATOM 0 HH11 ARG A 126 5.067 -21.540 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.211 -22.549 12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.899 -20.962 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.664 -22.233 14.217 1.00 0.00 H new ATOM 1934 N GLU A 127 2.600 -15.758 8.115 1.00 0.00 N ATOM 1935 CA GLU A 127 2.244 -15.290 6.811 1.00 0.00 C ATOM 1936 C GLU A 127 2.863 -13.995 6.412 1.00 0.00 C ATOM 1937 O GLU A 127 2.993 -13.762 5.211 1.00 0.00 O ATOM 1938 CB GLU A 127 0.713 -15.157 6.738 1.00 0.00 C ATOM 1939 CG GLU A 127 -0.021 -16.469 7.023 1.00 0.00 C ATOM 1940 CD GLU A 127 -1.487 -16.510 6.617 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.328 -15.760 7.179 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -1.847 -17.406 5.807 1.00 0.00 O ATOM 0 H GLU A 127 1.807 -15.736 8.756 1.00 0.00 H new ATOM 0 HA GLU A 127 2.633 -16.029 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.386 -14.403 7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.433 -14.799 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.502 -17.275 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.047 -16.677 8.091 1.00 0.00 H new ATOM 1949 N ALA A 128 3.222 -13.089 7.339 1.00 0.00 N ATOM 1950 CA ALA A 128 4.027 -11.951 7.019 1.00 0.00 C ATOM 1951 C ALA A 128 5.484 -12.218 6.860 1.00 0.00 C ATOM 1952 O ALA A 128 6.048 -11.718 5.888 1.00 0.00 O ATOM 1953 CB ALA A 128 3.695 -10.858 8.049 1.00 0.00 C ATOM 0 H ALA A 128 2.951 -13.146 8.321 1.00 0.00 H new ATOM 0 HA ALA A 128 3.772 -11.613 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.290 -9.969 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.636 -10.609 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.924 -11.221 9.051 1.00 0.00 H new ATOM 1959 N ASP A 129 6.141 -13.042 7.696 1.00 0.00 N ATOM 1960 CA ASP A 129 7.566 -13.131 7.787 1.00 0.00 C ATOM 1961 C ASP A 129 8.043 -13.921 6.617 1.00 0.00 C ATOM 1962 O ASP A 129 7.454 -14.882 6.125 1.00 0.00 O ATOM 1963 CB ASP A 129 8.069 -13.714 9.118 1.00 0.00 C ATOM 1964 CG ASP A 129 9.546 -14.005 9.346 1.00 0.00 C ATOM 1965 OD1 ASP A 129 10.406 -13.228 8.851 1.00 0.00 O ATOM 1966 OD2 ASP A 129 9.912 -15.084 9.885 1.00 0.00 O ATOM 0 H ASP A 129 5.659 -13.673 8.336 1.00 0.00 H new ATOM 0 HA ASP A 129 7.981 -12.123 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.755 -13.028 9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.532 -14.649 9.278 1.00 0.00 H new ATOM 1971 N ILE A 130 9.213 -13.519 6.090 1.00 0.00 N ATOM 1972 CA ILE A 130 9.912 -14.042 4.957 1.00 0.00 C ATOM 1973 C ILE A 130 11.078 -14.838 5.433 1.00 0.00 C ATOM 1974 O ILE A 130 11.087 -16.047 5.209 1.00 0.00 O ATOM 1975 CB ILE A 130 10.210 -12.996 3.923 1.00 0.00 C ATOM 1976 CG1 ILE A 130 8.806 -12.723 3.357 1.00 0.00 C ATOM 1977 CG2 ILE A 130 11.154 -13.585 2.862 1.00 0.00 C ATOM 1978 CD1 ILE A 130 8.845 -11.841 2.110 1.00 0.00 C ATOM 0 H ILE A 130 9.724 -12.740 6.507 1.00 0.00 H new ATOM 0 HA ILE A 130 9.271 -14.730 4.407 1.00 0.00 H new ATOM 0 HB ILE A 130 10.705 -12.097 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.324 -13.670 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.196 -12.241 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.373 -12.828 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 130 12.082 -13.903 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.677 -14.442 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 130 7.830 -11.677 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.302 -10.882 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.431 -12.333 1.334 1.00 0.00 H new ATOM 1990 N ASP A 131 12.043 -14.329 6.219 1.00 0.00 N ATOM 1991 CA ASP A 131 13.260 -15.029 6.490 1.00 0.00 C ATOM 1992 C ASP A 131 13.328 -15.738 7.799 1.00 0.00 C ATOM 1993 O ASP A 131 14.418 -15.902 8.344 1.00 0.00 O ATOM 1994 CB ASP A 131 14.492 -14.142 6.251 1.00 0.00 C ATOM 1995 CG ASP A 131 14.512 -12.895 7.123 1.00 0.00 C ATOM 1996 OD1 ASP A 131 13.457 -12.397 7.601 1.00 0.00 O ATOM 1997 OD2 ASP A 131 15.645 -12.410 7.384 1.00 0.00 O ATOM 0 H ASP A 131 11.978 -13.418 6.673 1.00 0.00 H new ATOM 0 HA ASP A 131 13.265 -15.838 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 131 15.393 -14.725 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 131 14.520 -13.845 5.203 1.00 0.00 H new ATOM 2002 N GLY A 132 12.170 -16.300 8.192 1.00 0.00 N ATOM 2003 CA GLY A 132 12.016 -17.318 9.184 1.00 0.00 C ATOM 2004 C GLY A 132 12.547 -16.973 10.532 1.00 0.00 C ATOM 2005 O GLY A 132 12.770 -17.809 11.407 1.00 0.00 O ATOM 0 H GLY A 132 11.277 -16.021 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 132 10.956 -17.555 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 132 12.515 -18.222 8.835 1.00 0.00 H new ATOM 2009 N ASP A 133 12.772 -15.674 10.798 1.00 0.00 N ATOM 2010 CA ASP A 133 13.242 -15.135 12.036 1.00 0.00 C ATOM 2011 C ASP A 133 12.207 -14.639 12.987 1.00 0.00 C ATOM 2012 O ASP A 133 12.588 -14.302 14.107 1.00 0.00 O ATOM 2013 CB ASP A 133 14.392 -14.129 11.863 1.00 0.00 C ATOM 2014 CG ASP A 133 14.057 -12.745 11.326 1.00 0.00 C ATOM 2015 OD1 ASP A 133 13.121 -12.574 10.499 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.698 -11.754 11.767 1.00 0.00 O ATOM 0 H ASP A 133 12.614 -14.950 10.097 1.00 0.00 H new ATOM 0 HA ASP A 133 13.642 -16.021 12.530 1.00 0.00 H new ATOM 0 HB2 ASP A 133 14.874 -14.003 12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 133 15.129 -14.576 11.196 1.00 0.00 H new ATOM 2021 N GLY A 134 10.893 -14.634 12.699 1.00 0.00 N ATOM 2022 CA GLY A 134 9.871 -14.459 13.684 1.00 0.00 C ATOM 2023 C GLY A 134 9.552 -13.021 13.909 1.00 0.00 C ATOM 2024 O GLY A 134 8.497 -12.763 14.485 1.00 0.00 O ATOM 0 H GLY A 134 10.531 -14.755 11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.970 -14.985 13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.192 -14.910 14.623 1.00 0.00 H new ATOM 2028 N GLN A 135 10.314 -12.095 13.301 1.00 0.00 N ATOM 2029 CA GLN A 135 9.890 -10.733 13.198 1.00 0.00 C ATOM 2030 C GLN A 135 9.561 -10.421 11.778 1.00 0.00 C ATOM 2031 O GLN A 135 10.051 -11.051 10.842 1.00 0.00 O ATOM 2032 CB GLN A 135 10.948 -9.776 13.773 1.00 0.00 C ATOM 2033 CG GLN A 135 11.058 -9.775 15.299 1.00 0.00 C ATOM 2034 CD GLN A 135 12.086 -8.801 15.857 1.00 0.00 C ATOM 2035 OE1 GLN A 135 11.696 -7.740 16.343 1.00 0.00 O ATOM 2036 NE2 GLN A 135 13.389 -9.164 15.717 1.00 0.00 N ATOM 0 H GLN A 135 11.223 -12.289 12.881 1.00 0.00 H new ATOM 0 HA GLN A 135 8.990 -10.591 13.796 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.919 -10.038 13.354 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.720 -8.764 13.440 1.00 0.00 H new ATOM 0 HG2 GLN A 135 10.082 -9.535 15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.311 -10.781 15.633 1.00 0.00 H new ATOM 0 HE21 GLN A 135 13.626 -10.065 15.302 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.130 -8.535 16.027 1.00 0.00 H new ATOM 2045 N VAL A 136 8.751 -9.365 11.588 1.00 0.00 N ATOM 2046 CA VAL A 136 8.294 -8.886 10.321 1.00 0.00 C ATOM 2047 C VAL A 136 8.928 -7.558 10.086 1.00 0.00 C ATOM 2048 O VAL A 136 8.819 -6.552 10.786 1.00 0.00 O ATOM 2049 CB VAL A 136 6.797 -8.785 10.334 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.227 -8.233 9.017 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.321 -10.246 10.404 1.00 0.00 C ATOM 0 H VAL A 136 8.394 -8.812 12.367 1.00 0.00 H new ATOM 0 HA VAL A 136 8.570 -9.567 9.516 1.00 0.00 H new ATOM 0 HB VAL A 136 6.482 -8.132 11.148 1.00 0.00 H new ATOM 0 HG11 VAL A 136 5.140 -8.182 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 136 6.627 -7.235 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.509 -8.890 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.231 -10.273 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.687 -10.790 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.707 -10.711 11.311 1.00 0.00 H new ATOM 2061 N ASN A 137 9.833 -7.506 9.092 1.00 0.00 N ATOM 2062 CA ASN A 137 10.457 -6.281 8.699 1.00 0.00 C ATOM 2063 C ASN A 137 9.719 -5.489 7.676 1.00 0.00 C ATOM 2064 O ASN A 137 8.560 -5.805 7.412 1.00 0.00 O ATOM 2065 CB ASN A 137 11.899 -6.595 8.265 1.00 0.00 C ATOM 2066 CG ASN A 137 12.820 -5.395 8.096 1.00 0.00 C ATOM 2067 OD1 ASN A 137 12.586 -4.349 8.699 1.00 0.00 O ATOM 2068 ND2 ASN A 137 13.940 -5.636 7.363 1.00 0.00 N ATOM 0 H ASN A 137 10.134 -8.320 8.557 1.00 0.00 H new ATOM 0 HA ASN A 137 10.450 -5.620 9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 137 12.341 -7.267 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.863 -7.137 7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 137 14.662 -4.920 7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 137 14.058 -6.533 6.892 1.00 0.00 H new ATOM 2075 N TYR A 138 10.292 -4.421 7.092 1.00 0.00 N ATOM 2076 CA TYR A 138 9.647 -3.420 6.301 1.00 0.00 C ATOM 2077 C TYR A 138 9.090 -4.023 5.058 1.00 0.00 C ATOM 2078 O TYR A 138 7.894 -3.980 4.777 1.00 0.00 O ATOM 2079 CB TYR A 138 10.652 -2.285 6.043 1.00 0.00 C ATOM 2080 CG TYR A 138 9.979 -1.022 5.629 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.508 -0.079 6.512 1.00 0.00 C ATOM 2082 CD2 TYR A 138 9.881 -0.863 4.266 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.912 1.056 6.015 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.175 0.204 3.763 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.839 1.200 4.650 1.00 0.00 C ATOM 2086 OH TYR A 138 8.368 2.386 4.049 1.00 0.00 O ATOM 0 H TYR A 138 11.293 -4.245 7.183 1.00 0.00 H new ATOM 0 HA TYR A 138 8.793 -2.991 6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.235 -2.105 6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 138 11.354 -2.592 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 138 9.605 -0.227 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 138 10.353 -1.569 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 138 8.514 1.811 6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 138 8.897 0.258 2.721 1.00 0.00 H new ATOM 0 HH TYR A 138 8.394 2.291 3.074 1.00 0.00 H new ATOM 2096 N GLU A 139 9.949 -4.671 4.250 1.00 0.00 N ATOM 2097 CA GLU A 139 9.544 -5.256 3.010 1.00 0.00 C ATOM 2098 C GLU A 139 8.447 -6.241 3.226 1.00 0.00 C ATOM 2099 O GLU A 139 7.490 -6.297 2.456 1.00 0.00 O ATOM 2100 CB GLU A 139 10.690 -5.902 2.213 1.00 0.00 C ATOM 2101 CG GLU A 139 12.008 -5.134 2.101 1.00 0.00 C ATOM 2102 CD GLU A 139 13.042 -5.241 3.213 1.00 0.00 C ATOM 2103 OE1 GLU A 139 13.029 -4.433 4.179 1.00 0.00 O ATOM 2104 OE2 GLU A 139 13.914 -6.142 3.086 1.00 0.00 O ATOM 0 H GLU A 139 10.940 -4.790 4.461 1.00 0.00 H new ATOM 0 HA GLU A 139 9.184 -4.427 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.905 -6.871 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.328 -6.093 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.491 -5.450 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.761 -4.079 1.987 1.00 0.00 H new ATOM 2111 N GLU A 140 8.596 -7.130 4.224 1.00 0.00 N ATOM 2112 CA GLU A 140 7.756 -8.164 4.743 1.00 0.00 C ATOM 2113 C GLU A 140 6.378 -7.698 5.068 1.00 0.00 C ATOM 2114 O GLU A 140 5.364 -8.336 4.792 1.00 0.00 O ATOM 2115 CB GLU A 140 8.431 -8.933 5.892 1.00 0.00 C ATOM 2116 CG GLU A 140 9.875 -9.313 5.561 1.00 0.00 C ATOM 2117 CD GLU A 140 10.421 -10.220 6.655 1.00 0.00 C ATOM 2118 OE1 GLU A 140 10.280 -9.754 7.817 1.00 0.00 O ATOM 2119 OE2 GLU A 140 10.951 -11.349 6.475 1.00 0.00 O ATOM 0 H GLU A 140 9.466 -7.112 4.756 1.00 0.00 H new ATOM 0 HA GLU A 140 7.619 -8.883 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.415 -8.322 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.860 -9.836 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.918 -9.820 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 140 10.489 -8.416 5.476 1.00 0.00 H new ATOM 2126 N PHE A 141 6.319 -6.503 5.683 1.00 0.00 N ATOM 2127 CA PHE A 141 5.084 -5.833 5.948 1.00 0.00 C ATOM 2128 C PHE A 141 4.422 -5.259 4.743 1.00 0.00 C ATOM 2129 O PHE A 141 3.276 -5.530 4.387 1.00 0.00 O ATOM 2130 CB PHE A 141 5.383 -4.827 7.073 1.00 0.00 C ATOM 2131 CG PHE A 141 4.204 -3.967 7.376 1.00 0.00 C ATOM 2132 CD1 PHE A 141 3.139 -4.515 8.050 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.101 -2.698 6.857 1.00 0.00 C ATOM 2134 CE1 PHE A 141 2.054 -3.712 8.310 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.035 -1.891 7.176 1.00 0.00 C ATOM 2136 CZ PHE A 141 1.976 -2.407 7.885 1.00 0.00 C ATOM 0 H PHE A 141 7.143 -5.993 6.002 1.00 0.00 H new ATOM 0 HA PHE A 141 4.322 -6.541 6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 141 5.680 -5.366 7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.226 -4.199 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.154 -5.547 8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.867 -2.331 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.228 -4.124 8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.029 -0.855 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.107 -1.804 8.102 1.00 0.00 H new ATOM 2146 N VAL A 142 5.083 -4.416 3.931 1.00 0.00 N ATOM 2147 CA VAL A 142 4.517 -3.765 2.791 1.00 0.00 C ATOM 2148 C VAL A 142 3.960 -4.740 1.811 1.00 0.00 C ATOM 2149 O VAL A 142 2.941 -4.548 1.149 1.00 0.00 O ATOM 2150 CB VAL A 142 5.704 -3.050 2.217 1.00 0.00 C ATOM 2151 CG1 VAL A 142 5.538 -2.560 0.768 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.050 -1.838 3.097 1.00 0.00 C ATOM 0 H VAL A 142 6.064 -4.176 4.078 1.00 0.00 H new ATOM 0 HA VAL A 142 3.680 -3.114 3.041 1.00 0.00 H new ATOM 0 HB VAL A 142 6.500 -3.794 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.450 -2.057 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 142 5.345 -3.412 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 142 4.701 -1.864 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 142 6.913 -1.319 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.199 -1.158 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 142 6.284 -2.176 4.106 1.00 0.00 H new ATOM 2162 N GLN A 143 4.569 -5.930 1.663 1.00 0.00 N ATOM 2163 CA GLN A 143 4.328 -6.864 0.607 1.00 0.00 C ATOM 2164 C GLN A 143 3.002 -7.538 0.692 1.00 0.00 C ATOM 2165 O GLN A 143 2.197 -7.702 -0.223 1.00 0.00 O ATOM 2166 CB GLN A 143 5.328 -8.032 0.640 1.00 0.00 C ATOM 2167 CG GLN A 143 6.482 -7.779 -0.331 1.00 0.00 C ATOM 2168 CD GLN A 143 7.567 -8.847 -0.341 1.00 0.00 C ATOM 2169 OE1 GLN A 143 7.982 -9.344 -1.387 1.00 0.00 O ATOM 2170 NE2 GLN A 143 8.221 -8.877 0.851 1.00 0.00 N ATOM 0 H GLN A 143 5.274 -6.260 2.322 1.00 0.00 H new ATOM 0 HA GLN A 143 4.406 -6.250 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.717 -8.157 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.821 -8.960 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.075 -7.688 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.940 -6.821 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.804 -8.439 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.128 -9.338 0.924 1.00 0.00 H new ATOM 2179 N MET A 144 2.628 -7.799 1.957 1.00 0.00 N ATOM 2180 CA MET A 144 1.287 -8.219 2.224 1.00 0.00 C ATOM 2181 C MET A 144 0.207 -7.192 2.209 1.00 0.00 C ATOM 2182 O MET A 144 -0.986 -7.462 2.077 1.00 0.00 O ATOM 2183 CB MET A 144 1.233 -9.124 3.467 1.00 0.00 C ATOM 2184 CG MET A 144 1.440 -8.278 4.725 1.00 0.00 C ATOM 2185 SD MET A 144 1.523 -9.205 6.287 1.00 0.00 S ATOM 2186 CE MET A 144 1.703 -7.783 7.403 1.00 0.00 C ATOM 0 H MET A 144 3.234 -7.723 2.774 1.00 0.00 H new ATOM 0 HA MET A 144 1.028 -8.793 1.334 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.272 -9.637 3.515 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.002 -9.894 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.363 -7.709 4.611 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.626 -7.556 4.794 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.461 -8.004 8.155 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.005 -6.907 6.830 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.751 -7.584 7.895 1.00 0.00 H new ATOM 2196 N MET A 145 0.601 -5.909 2.290 1.00 0.00 N ATOM 2197 CA MET A 145 -0.360 -4.879 2.045 1.00 0.00 C ATOM 2198 C MET A 145 -0.629 -4.674 0.594 1.00 0.00 C ATOM 2199 O MET A 145 -1.789 -4.517 0.217 1.00 0.00 O ATOM 2200 CB MET A 145 0.026 -3.628 2.851 1.00 0.00 C ATOM 2201 CG MET A 145 -0.099 -3.935 4.345 1.00 0.00 C ATOM 2202 SD MET A 145 -0.246 -2.421 5.340 1.00 0.00 S ATOM 2203 CE MET A 145 0.793 -1.186 4.506 1.00 0.00 C ATOM 0 H MET A 145 1.544 -5.592 2.515 1.00 0.00 H new ATOM 0 HA MET A 145 -1.340 -5.184 2.412 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.047 -3.328 2.613 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.622 -2.794 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.971 -4.566 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.773 -4.501 4.673 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.924 -0.321 5.157 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.767 -1.622 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.313 -0.873 3.579 1.00 0.00 H new