USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 800 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 11 ASN : amide:sc= 0 X(o=0.35,f=0.28) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -159:sc= 0.354 (180deg=0.137) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.6 K(o=-8.9,f=-22!) USER MOD Set 2.2: B 26 GLN : amide:sc= -4.21! C(o=-8.9!,f=-11!) USER MOD Set 2.3: B 55 GLN : amide:sc= -2.09 K(o=-8.9,f=-10!) USER MOD Set 3.1: A 28 ASN : amide:sc= -9.24! C(o=-9.6!,f=-17!) USER MOD Set 3.2: B 10 SER OG : rot -170:sc= -0.335 USER MOD Set 4.1: A 39 SER OG : rot -35:sc= 0.626 USER MOD Set 4.2: A 40 GLN : amide:sc= 0 X(o=0.63,f=0.61) USER MOD Set 5.1: A 23 ASN : amide:sc= -0.753 K(o=-2.5,f=-12!) USER MOD Set 5.2: A 26 GLN : amide:sc= -1.02 K(o=-2.5,f=-7!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.775 K(o=-2.5,f=-10!) USER MOD Set 6.1: A 14 TYR OH : rot 180:sc= -0.508 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -21.6! C(o=-22!,f=-26!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0575) USER MOD Single : A 9 GLN : amide:sc= -2.33! C(o=-2.3!,f=-1.5!) USER MOD Single : A 10 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.4!) USER MOD Single : A 21 ASN : amide:sc= -0.826 K(o=-0.83,f=-1.4) USER MOD Single : A 32 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.6!) USER MOD Single : A 33 SER OG : rot 4:sc= -0.255 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0.613 (180deg=0.42) USER MOD Single : A 41 SER OG : rot -95:sc= 0.813 USER MOD Single : A 43 ASN : amide:sc=-0.000713 X(o=-0.00071,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.442 K(o=-0.44,f=-10!) USER MOD Single : B 6 ASN : amide:sc= -2.4 K(o=-2.4,f=-7.3!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -89:sc= 1.32 USER MOD Single : B 21 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.2!) USER MOD Single : B 27 LYS NZ :NH3+ -169:sc= 0.137 (180deg=0.0712) USER MOD Single : B 33 SER OG : rot -23:sc= -2.04! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.004 X(o=-0.004,f=0) USER MOD Single : B 41 SER OG : rot -132:sc= 0.481 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 162:sc= 0.0584 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0461) USER MOD Single : B 52 ASN : amide:sc= -4.22! C(o=-4.2!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.404 -13.902 7.260 1.00 0.00 N ATOM 68 CA PHE A 5 4.500 -13.396 5.841 1.00 0.00 C ATOM 69 C PHE A 5 3.124 -13.102 5.215 1.00 0.00 C ATOM 70 O PHE A 5 3.025 -12.222 4.378 1.00 0.00 O ATOM 71 CB PHE A 5 5.245 -14.483 5.045 1.00 0.00 C ATOM 72 CG PHE A 5 6.697 -14.622 5.514 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.307 -13.642 6.329 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.434 -15.748 5.124 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.633 -13.797 6.738 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.762 -15.897 5.538 1.00 0.00 C ATOM 77 CZ PHE A 5 9.362 -14.923 6.342 1.00 0.00 C ATOM 0 HA PHE A 5 5.030 -12.444 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.731 -15.437 5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.226 -14.236 3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.747 -12.771 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.976 -16.503 4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.096 -13.046 7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.326 -16.767 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.388 -15.040 6.657 1.00 0.00 H new ATOM 87 N ASN A 6 2.071 -13.804 5.613 1.00 0.00 N ATOM 88 CA ASN A 6 0.705 -13.524 5.032 1.00 0.00 C ATOM 89 C ASN A 6 0.346 -12.035 5.218 1.00 0.00 C ATOM 90 O ASN A 6 0.016 -11.362 4.257 1.00 0.00 O ATOM 91 CB ASN A 6 -0.279 -14.419 5.805 1.00 0.00 C ATOM 92 CG ASN A 6 -0.089 -15.886 5.395 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.401 -16.682 6.168 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.462 -16.281 4.206 1.00 0.00 N ATOM 0 H ASN A 6 2.100 -14.550 6.308 1.00 0.00 H new ATOM 0 HA ASN A 6 0.671 -13.734 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.118 -14.309 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.303 -14.106 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.341 -17.256 3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.874 -15.615 3.553 1.00 0.00 H new ATOM 101 N LYS A 7 0.462 -11.506 6.428 1.00 0.00 N ATOM 102 CA LYS A 7 0.175 -10.046 6.651 1.00 0.00 C ATOM 103 C LYS A 7 1.456 -9.200 6.555 1.00 0.00 C ATOM 104 O LYS A 7 1.363 -8.020 6.329 1.00 0.00 O ATOM 105 CB LYS A 7 -0.455 -9.914 8.038 1.00 0.00 C ATOM 106 CG LYS A 7 -0.468 -8.445 8.473 1.00 0.00 C ATOM 107 CD LYS A 7 -0.882 -8.370 9.927 1.00 0.00 C ATOM 108 CE LYS A 7 -0.632 -6.953 10.472 1.00 0.00 C ATOM 109 NZ LYS A 7 0.817 -6.909 10.844 1.00 0.00 N ATOM 0 H LYS A 7 0.741 -12.023 7.262 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.502 -9.676 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.472 -10.306 8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.105 -10.510 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.519 -8.003 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.160 -7.874 7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.937 -8.626 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.320 -9.098 10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.866 -6.198 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.264 -6.749 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.908 -6.836 11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.286 -7.777 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.265 -6.083 10.398 1.00 0.00 H new ATOM 123 N GLU A 8 2.642 -9.768 6.704 1.00 0.00 N ATOM 124 CA GLU A 8 3.889 -8.928 6.574 1.00 0.00 C ATOM 125 C GLU A 8 3.871 -8.270 5.202 1.00 0.00 C ATOM 126 O GLU A 8 4.204 -7.118 5.072 1.00 0.00 O ATOM 127 CB GLU A 8 5.095 -9.858 6.690 1.00 0.00 C ATOM 128 CG GLU A 8 5.307 -10.280 8.147 1.00 0.00 C ATOM 129 CD GLU A 8 5.704 -9.071 9.006 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.759 -8.506 8.757 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.944 -8.732 9.897 1.00 0.00 O ATOM 0 H GLU A 8 2.798 -10.756 6.906 1.00 0.00 H new ATOM 0 HA GLU A 8 3.940 -8.161 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.943 -10.740 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.987 -9.355 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.393 -10.727 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.084 -11.043 8.201 1.00 0.00 H new ATOM 138 N GLN A 9 3.400 -8.987 4.193 1.00 0.00 N ATOM 139 CA GLN A 9 3.256 -8.387 2.839 1.00 0.00 C ATOM 140 C GLN A 9 2.182 -7.283 2.923 1.00 0.00 C ATOM 141 O GLN A 9 2.334 -6.221 2.375 1.00 0.00 O ATOM 142 CB GLN A 9 2.775 -9.506 1.911 1.00 0.00 C ATOM 143 CG GLN A 9 3.825 -10.600 1.744 1.00 0.00 C ATOM 144 CD GLN A 9 3.226 -11.714 0.881 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.376 -11.709 -0.325 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.541 -12.673 1.446 1.00 0.00 N ATOM 0 H GLN A 9 3.112 -9.963 4.263 1.00 0.00 H new ATOM 0 HA GLN A 9 4.189 -7.960 2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.859 -9.941 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.529 -9.087 0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.722 -10.197 1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.123 -10.992 2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.413 -12.680 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.134 -13.414 0.875 1.00 0.00 H new ATOM 155 N GLN A 10 1.112 -7.551 3.656 1.00 0.00 N ATOM 156 CA GLN A 10 0.000 -6.554 3.871 1.00 0.00 C ATOM 157 C GLN A 10 0.536 -5.310 4.601 1.00 0.00 C ATOM 158 O GLN A 10 0.279 -4.194 4.198 1.00 0.00 O ATOM 159 CB GLN A 10 -1.003 -7.301 4.769 1.00 0.00 C ATOM 160 CG GLN A 10 -2.404 -7.286 4.153 1.00 0.00 C ATOM 161 CD GLN A 10 -2.675 -8.593 3.387 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.052 -9.608 3.634 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.597 -8.625 2.469 1.00 0.00 N ATOM 0 H GLN A 10 0.962 -8.444 4.125 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.443 -6.209 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.674 -8.331 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.030 -6.837 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.150 -7.157 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.501 -6.436 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.128 -7.782 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.788 -9.493 1.968 1.00 0.00 H new ATOM 172 N ASN A 11 1.287 -5.516 5.669 1.00 0.00 N ATOM 173 CA ASN A 11 1.869 -4.378 6.449 1.00 0.00 C ATOM 174 C ASN A 11 2.987 -3.709 5.645 1.00 0.00 C ATOM 175 O ASN A 11 3.051 -2.506 5.575 1.00 0.00 O ATOM 176 CB ASN A 11 2.440 -5.002 7.729 1.00 0.00 C ATOM 177 CG ASN A 11 2.628 -3.914 8.790 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.675 -3.493 9.418 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.821 -3.429 9.017 1.00 0.00 N ATOM 0 H ASN A 11 1.520 -6.440 6.032 1.00 0.00 H new ATOM 0 HA ASN A 11 1.123 -3.615 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.767 -5.775 8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.393 -5.485 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.950 -2.700 9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.622 -3.780 8.492 1.00 0.00 H new ATOM 186 N ALA A 12 3.855 -4.492 5.029 1.00 0.00 N ATOM 187 CA ALA A 12 4.963 -3.907 4.205 1.00 0.00 C ATOM 188 C ALA A 12 4.363 -3.146 3.027 1.00 0.00 C ATOM 189 O ALA A 12 4.777 -2.049 2.737 1.00 0.00 O ATOM 190 CB ALA A 12 5.793 -5.087 3.701 1.00 0.00 C ATOM 0 H ALA A 12 3.839 -5.511 5.065 1.00 0.00 H new ATOM 0 HA ALA A 12 5.577 -3.215 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.618 -4.718 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.190 -5.642 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.164 -5.744 3.100 1.00 0.00 H new ATOM 196 N PHE A 13 3.350 -3.711 2.388 1.00 0.00 N ATOM 197 CA PHE A 13 2.657 -3.009 1.259 1.00 0.00 C ATOM 198 C PHE A 13 2.105 -1.696 1.791 1.00 0.00 C ATOM 199 O PHE A 13 2.428 -0.631 1.303 1.00 0.00 O ATOM 200 CB PHE A 13 1.494 -3.942 0.853 1.00 0.00 C ATOM 201 CG PHE A 13 0.535 -3.220 -0.053 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.002 -2.663 -1.238 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.822 -3.145 0.272 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.121 -2.026 -2.098 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.709 -2.521 -0.597 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.238 -1.963 -1.776 1.00 0.00 C ATOM 0 H PHE A 13 2.977 -4.635 2.608 1.00 0.00 H new ATOM 0 HA PHE A 13 3.314 -2.800 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.887 -4.825 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.971 -4.290 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.051 -2.727 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.181 -3.571 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.483 -1.580 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.760 -2.471 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.926 -1.476 -2.451 1.00 0.00 H new ATOM 216 N TYR A 14 1.296 -1.801 2.821 1.00 0.00 N ATOM 217 CA TYR A 14 0.691 -0.615 3.480 1.00 0.00 C ATOM 218 C TYR A 14 1.778 0.414 3.825 1.00 0.00 C ATOM 219 O TYR A 14 1.716 1.542 3.388 1.00 0.00 O ATOM 220 CB TYR A 14 0.072 -1.218 4.738 1.00 0.00 C ATOM 221 CG TYR A 14 -0.556 -0.162 5.592 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.821 0.330 5.277 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.125 0.301 6.721 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.404 1.281 6.084 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.458 1.264 7.538 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.723 1.758 7.227 1.00 0.00 C ATOM 227 OH TYR A 14 -2.302 2.728 8.027 1.00 0.00 O ATOM 0 H TYR A 14 1.027 -2.692 3.239 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.032 -0.081 2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.679 -1.957 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.839 -1.742 5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.342 -0.033 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.104 -0.089 6.959 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.385 1.664 5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.067 1.627 8.409 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.700 2.941 8.770 1.00 0.00 H new ATOM 237 N GLU A 15 2.786 0.011 4.571 1.00 0.00 N ATOM 238 CA GLU A 15 3.894 0.948 4.938 1.00 0.00 C ATOM 239 C GLU A 15 4.585 1.490 3.675 1.00 0.00 C ATOM 240 O GLU A 15 4.816 2.674 3.590 1.00 0.00 O ATOM 241 CB GLU A 15 4.858 0.132 5.806 1.00 0.00 C ATOM 242 CG GLU A 15 4.214 -0.203 7.169 1.00 0.00 C ATOM 243 CD GLU A 15 3.931 1.086 7.958 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.873 1.810 8.243 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.774 1.327 8.258 1.00 0.00 O ATOM 0 H GLU A 15 2.885 -0.934 4.942 1.00 0.00 H new ATOM 0 HA GLU A 15 3.528 1.821 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.129 -0.789 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.779 0.693 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.286 -0.754 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.877 -0.850 7.743 1.00 0.00 H new ATOM 252 N ILE A 16 4.860 0.654 2.672 1.00 0.00 N ATOM 253 CA ILE A 16 5.482 1.171 1.384 1.00 0.00 C ATOM 254 C ILE A 16 4.614 2.325 0.841 1.00 0.00 C ATOM 255 O ILE A 16 5.117 3.380 0.494 1.00 0.00 O ATOM 256 CB ILE A 16 5.529 -0.052 0.423 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.883 -0.747 0.609 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.359 0.356 -1.051 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.714 -2.255 0.512 1.00 0.00 C ATOM 0 H ILE A 16 4.682 -0.350 2.691 1.00 0.00 H new ATOM 0 HA ILE A 16 6.486 1.574 1.515 1.00 0.00 H new ATOM 0 HB ILE A 16 4.702 -0.718 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.585 -0.402 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.306 -0.482 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.399 -0.532 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.397 0.851 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.160 1.038 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.682 -2.739 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.028 -2.595 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.311 -2.514 -0.467 1.00 0.00 H new ATOM 271 N LEU A 17 3.315 2.121 0.809 1.00 0.00 N ATOM 272 CA LEU A 17 2.363 3.196 0.337 1.00 0.00 C ATOM 273 C LEU A 17 2.336 4.384 1.326 1.00 0.00 C ATOM 274 O LEU A 17 2.255 5.529 0.915 1.00 0.00 O ATOM 275 CB LEU A 17 0.971 2.541 0.309 1.00 0.00 C ATOM 276 CG LEU A 17 0.943 1.391 -0.690 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.174 0.231 -0.118 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.194 1.779 -1.933 1.00 0.00 C ATOM 0 H LEU A 17 2.865 1.250 1.091 1.00 0.00 H new ATOM 0 HA LEU A 17 2.668 3.580 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.715 2.174 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.219 3.283 0.040 1.00 0.00 H new ATOM 0 HG LEU A 17 1.980 1.138 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.159 -0.586 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.653 -0.105 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.848 0.543 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.188 0.941 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.831 2.042 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.681 2.636 -2.399 1.00 0.00 H new ATOM 290 N HIS A 18 2.377 4.111 2.623 1.00 0.00 N ATOM 291 CA HIS A 18 2.320 5.210 3.656 1.00 0.00 C ATOM 292 C HIS A 18 3.652 5.984 3.788 1.00 0.00 C ATOM 293 O HIS A 18 3.647 7.106 4.270 1.00 0.00 O ATOM 294 CB HIS A 18 2.000 4.527 5.001 1.00 0.00 C ATOM 295 CG HIS A 18 0.530 4.234 5.100 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.414 5.199 5.451 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.196 3.103 4.854 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.618 4.599 5.382 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.519 3.373 5.019 1.00 0.00 N ATOM 0 H HIS A 18 2.448 3.169 3.008 1.00 0.00 H new ATOM 0 HA HIS A 18 1.567 5.940 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.569 3.602 5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.306 5.171 5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.216 2.145 4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.553 5.091 5.605 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.290 2.720 4.880 1.00 0.00 H new ATOM 307 N LEU A 19 4.788 5.405 3.400 1.00 0.00 N ATOM 308 CA LEU A 19 6.111 6.130 3.545 1.00 0.00 C ATOM 309 C LEU A 19 6.051 7.492 2.818 1.00 0.00 C ATOM 310 O LEU A 19 5.786 7.539 1.627 1.00 0.00 O ATOM 311 CB LEU A 19 7.187 5.224 2.910 1.00 0.00 C ATOM 312 CG LEU A 19 7.546 4.045 3.836 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.410 3.050 3.055 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.327 4.526 5.074 1.00 0.00 C ATOM 0 H LEU A 19 4.852 4.471 2.994 1.00 0.00 H new ATOM 0 HA LEU A 19 6.341 6.327 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.826 4.842 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.082 5.810 2.701 1.00 0.00 H new ATOM 0 HG LEU A 19 6.623 3.574 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.671 2.211 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.854 2.685 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.321 3.545 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.566 3.672 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.250 5.011 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.719 5.235 5.635 1.00 0.00 H new ATOM 326 N PRO A 20 6.276 8.564 3.571 1.00 0.00 N ATOM 327 CA PRO A 20 6.218 9.952 3.004 1.00 0.00 C ATOM 328 C PRO A 20 7.310 10.242 1.948 1.00 0.00 C ATOM 329 O PRO A 20 7.168 11.184 1.187 1.00 0.00 O ATOM 330 CB PRO A 20 6.402 10.845 4.233 1.00 0.00 C ATOM 331 CG PRO A 20 7.118 9.990 5.222 1.00 0.00 C ATOM 332 CD PRO A 20 6.604 8.594 5.011 1.00 0.00 C ATOM 0 HA PRO A 20 5.284 10.118 2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.979 11.737 3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.442 11.183 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.196 10.036 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.926 10.327 6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.354 7.846 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.728 8.391 5.627 1.00 0.00 H new ATOM 340 N ASN A 21 8.381 9.465 1.882 1.00 0.00 N ATOM 341 CA ASN A 21 9.444 9.741 0.861 1.00 0.00 C ATOM 342 C ASN A 21 9.510 8.624 -0.199 1.00 0.00 C ATOM 343 O ASN A 21 10.419 8.609 -1.016 1.00 0.00 O ATOM 344 CB ASN A 21 10.749 9.847 1.661 1.00 0.00 C ATOM 345 CG ASN A 21 10.696 11.082 2.569 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.659 12.200 2.093 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.684 10.931 3.866 1.00 0.00 N ATOM 0 H ASN A 21 8.557 8.663 2.487 1.00 0.00 H new ATOM 0 HA ASN A 21 9.243 10.654 0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.894 8.948 2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.599 9.918 0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.644 11.749 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.715 9.995 4.271 1.00 0.00 H new ATOM 354 N LEU A 22 8.542 7.713 -0.224 1.00 0.00 N ATOM 355 CA LEU A 22 8.551 6.643 -1.266 1.00 0.00 C ATOM 356 C LEU A 22 7.786 7.138 -2.488 1.00 0.00 C ATOM 357 O LEU A 22 6.628 7.516 -2.405 1.00 0.00 O ATOM 358 CB LEU A 22 7.864 5.397 -0.659 1.00 0.00 C ATOM 359 CG LEU A 22 8.874 4.407 -0.022 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.464 2.976 -0.371 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.299 4.618 -0.539 1.00 0.00 C ATOM 0 H LEU A 22 7.761 7.676 0.430 1.00 0.00 H new ATOM 0 HA LEU A 22 9.566 6.392 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.147 5.715 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.299 4.883 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 22 8.861 4.583 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.171 2.276 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.465 2.779 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.464 2.851 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.968 3.901 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.320 4.472 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.625 5.631 -0.303 1.00 0.00 H new ATOM 373 N ASN A 23 8.439 7.124 -3.621 1.00 0.00 N ATOM 374 CA ASN A 23 7.778 7.582 -4.889 1.00 0.00 C ATOM 375 C ASN A 23 7.175 6.390 -5.623 1.00 0.00 C ATOM 376 O ASN A 23 7.210 5.273 -5.144 1.00 0.00 O ATOM 377 CB ASN A 23 8.851 8.286 -5.753 1.00 0.00 C ATOM 378 CG ASN A 23 10.131 7.442 -5.871 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.151 6.448 -6.559 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.205 7.801 -5.219 1.00 0.00 N ATOM 0 H ASN A 23 9.405 6.815 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 23 6.966 8.277 -4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.449 8.478 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.093 9.254 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.056 7.243 -5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.192 8.639 -4.637 1.00 0.00 H new ATOM 387 N GLU A 24 6.615 6.627 -6.778 1.00 0.00 N ATOM 388 CA GLU A 24 5.988 5.507 -7.559 1.00 0.00 C ATOM 389 C GLU A 24 7.053 4.495 -8.029 1.00 0.00 C ATOM 390 O GLU A 24 6.790 3.319 -8.072 1.00 0.00 O ATOM 391 CB GLU A 24 5.240 6.164 -8.745 1.00 0.00 C ATOM 392 CG GLU A 24 6.202 6.914 -9.689 1.00 0.00 C ATOM 393 CD GLU A 24 6.027 8.427 -9.518 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.144 8.980 -10.151 1.00 0.00 O ATOM 395 OE2 GLU A 24 6.784 9.005 -8.754 1.00 0.00 O ATOM 0 H GLU A 24 6.561 7.545 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 24 5.292 4.935 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.705 5.398 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.492 6.859 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.232 6.632 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.005 6.631 -10.723 1.00 0.00 H new ATOM 402 N GLU A 25 8.261 4.924 -8.342 1.00 0.00 N ATOM 403 CA GLU A 25 9.313 3.935 -8.768 1.00 0.00 C ATOM 404 C GLU A 25 9.654 3.004 -7.585 1.00 0.00 C ATOM 405 O GLU A 25 9.690 1.793 -7.735 1.00 0.00 O ATOM 406 CB GLU A 25 10.532 4.775 -9.178 1.00 0.00 C ATOM 407 CG GLU A 25 11.616 3.869 -9.773 1.00 0.00 C ATOM 408 CD GLU A 25 12.893 4.685 -10.009 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.994 5.304 -11.057 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.745 4.677 -9.136 1.00 0.00 O ATOM 0 H GLU A 25 8.560 5.899 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 25 8.981 3.303 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.236 5.529 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.926 5.307 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.822 3.039 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.269 3.437 -10.712 1.00 0.00 H new ATOM 417 N GLN A 26 9.881 3.570 -6.416 1.00 0.00 N ATOM 418 CA GLN A 26 10.218 2.747 -5.203 1.00 0.00 C ATOM 419 C GLN A 26 8.977 2.012 -4.670 1.00 0.00 C ATOM 420 O GLN A 26 9.003 0.809 -4.506 1.00 0.00 O ATOM 421 CB GLN A 26 10.754 3.747 -4.157 1.00 0.00 C ATOM 422 CG GLN A 26 12.001 4.479 -4.697 1.00 0.00 C ATOM 423 CD GLN A 26 13.243 3.568 -4.668 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.163 2.383 -4.929 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.405 4.081 -4.365 1.00 0.00 N ATOM 0 H GLN A 26 9.847 4.576 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 26 10.953 1.977 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.979 4.472 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.005 3.220 -3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.816 4.812 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.188 5.371 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.482 5.074 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.235 3.489 -4.349 1.00 0.00 H new ATOM 434 N ARG A 27 7.905 2.728 -4.392 1.00 0.00 N ATOM 435 CA ARG A 27 6.660 2.085 -3.841 1.00 0.00 C ATOM 436 C ARG A 27 6.043 1.040 -4.802 1.00 0.00 C ATOM 437 O ARG A 27 5.690 -0.044 -4.375 1.00 0.00 O ATOM 438 CB ARG A 27 5.657 3.234 -3.646 1.00 0.00 C ATOM 439 CG ARG A 27 4.337 2.704 -3.089 1.00 0.00 C ATOM 440 CD ARG A 27 3.273 2.722 -4.187 1.00 0.00 C ATOM 441 NE ARG A 27 2.750 4.107 -4.176 1.00 0.00 N ATOM 442 CZ ARG A 27 3.066 4.962 -5.120 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.042 5.815 -4.929 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.393 4.976 -6.243 1.00 0.00 N ATOM 0 H ARG A 27 7.839 3.737 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 27 6.900 1.551 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.074 3.976 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.481 3.737 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.470 1.689 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.015 3.315 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.700 2.467 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.483 1.998 -3.986 1.00 0.00 H new ATOM 0 HE ARG A 27 2.132 4.402 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.555 5.814 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.289 6.480 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.623 4.322 -6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.639 5.641 -6.977 1.00 0.00 H new ATOM 458 N ASN A 28 5.880 1.363 -6.082 1.00 0.00 N ATOM 459 CA ASN A 28 5.242 0.378 -7.040 1.00 0.00 C ATOM 460 C ASN A 28 6.152 -0.842 -7.211 1.00 0.00 C ATOM 461 O ASN A 28 5.684 -1.965 -7.191 1.00 0.00 O ATOM 462 CB ASN A 28 5.059 1.082 -8.399 1.00 0.00 C ATOM 463 CG ASN A 28 4.233 2.377 -8.300 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.760 2.750 -7.250 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.042 3.089 -9.376 1.00 0.00 N ATOM 0 H ASN A 28 6.157 2.253 -6.497 1.00 0.00 H new ATOM 0 HA ASN A 28 4.279 0.045 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.039 1.314 -8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.570 0.398 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.499 3.951 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.436 2.784 -10.266 1.00 0.00 H new ATOM 472 N ALA A 29 7.457 -0.624 -7.345 1.00 0.00 N ATOM 473 CA ALA A 29 8.413 -1.779 -7.476 1.00 0.00 C ATOM 474 C ALA A 29 8.336 -2.652 -6.227 1.00 0.00 C ATOM 475 O ALA A 29 8.393 -3.863 -6.307 1.00 0.00 O ATOM 476 CB ALA A 29 9.793 -1.161 -7.560 1.00 0.00 C ATOM 0 H ALA A 29 7.890 0.299 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 29 8.182 -2.396 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.539 -1.949 -7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.845 -0.503 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.989 -0.585 -6.656 1.00 0.00 H new ATOM 482 N PHE A 30 8.186 -2.026 -5.075 1.00 0.00 N ATOM 483 CA PHE A 30 8.067 -2.789 -3.800 1.00 0.00 C ATOM 484 C PHE A 30 6.837 -3.649 -3.831 1.00 0.00 C ATOM 485 O PHE A 30 6.891 -4.795 -3.484 1.00 0.00 O ATOM 486 CB PHE A 30 7.949 -1.742 -2.699 1.00 0.00 C ATOM 487 CG PHE A 30 9.325 -1.246 -2.327 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.456 -2.061 -2.529 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.474 0.014 -1.764 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.705 -1.614 -2.170 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.735 0.457 -1.397 1.00 0.00 C ATOM 492 CZ PHE A 30 11.853 -0.367 -1.603 1.00 0.00 C ATOM 0 H PHE A 30 8.142 -1.012 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 30 8.923 -3.445 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.330 -0.911 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.457 -2.171 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.341 -3.041 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.611 0.646 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.570 -2.240 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.857 1.434 -0.953 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.835 -0.021 -1.315 1.00 0.00 H new ATOM 502 N ILE A 31 5.750 -3.107 -4.284 1.00 0.00 N ATOM 503 CA ILE A 31 4.499 -3.898 -4.396 1.00 0.00 C ATOM 504 C ILE A 31 4.708 -5.040 -5.411 1.00 0.00 C ATOM 505 O ILE A 31 4.118 -6.088 -5.267 1.00 0.00 O ATOM 506 CB ILE A 31 3.449 -2.869 -4.806 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.278 -1.894 -3.636 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.123 -3.548 -5.100 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.574 -0.632 -4.089 1.00 0.00 C ATOM 0 H ILE A 31 5.672 -2.136 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 31 4.187 -4.400 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 31 3.768 -2.347 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.705 -2.370 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.254 -1.643 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.387 -2.798 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.253 -4.263 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.776 -4.070 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.463 0.046 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.162 -0.147 -4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.590 -0.886 -4.482 1.00 0.00 H new ATOM 521 N GLN A 32 5.591 -4.873 -6.394 1.00 0.00 N ATOM 522 CA GLN A 32 5.874 -5.997 -7.354 1.00 0.00 C ATOM 523 C GLN A 32 6.733 -7.067 -6.639 1.00 0.00 C ATOM 524 O GLN A 32 6.394 -8.233 -6.643 1.00 0.00 O ATOM 525 CB GLN A 32 6.626 -5.367 -8.537 1.00 0.00 C ATOM 526 CG GLN A 32 5.676 -4.447 -9.315 1.00 0.00 C ATOM 527 CD GLN A 32 6.419 -3.807 -10.492 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.005 -2.753 -10.352 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.421 -4.401 -11.655 1.00 0.00 N ATOM 0 H GLN A 32 6.117 -4.015 -6.564 1.00 0.00 H new ATOM 0 HA GLN A 32 4.967 -6.490 -7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.484 -4.800 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.013 -6.147 -9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.821 -5.017 -9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.285 -3.672 -8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.930 -5.287 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.914 -3.979 -12.442 1.00 0.00 H new ATOM 538 N SER A 33 7.813 -6.656 -5.983 1.00 0.00 N ATOM 539 CA SER A 33 8.688 -7.621 -5.208 1.00 0.00 C ATOM 540 C SER A 33 7.931 -8.196 -3.985 1.00 0.00 C ATOM 541 O SER A 33 8.177 -9.310 -3.562 1.00 0.00 O ATOM 542 CB SER A 33 9.906 -6.798 -4.760 1.00 0.00 C ATOM 543 OG SER A 33 9.476 -5.603 -4.126 1.00 0.00 O ATOM 0 H SER A 33 8.126 -5.686 -5.953 1.00 0.00 H new ATOM 0 HA SER A 33 8.980 -8.477 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.519 -7.383 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.530 -6.559 -5.621 1.00 0.00 H new ATOM 0 HG SER A 33 8.499 -5.604 -4.055 1.00 0.00 H new ATOM 549 N LEU A 34 7.027 -7.421 -3.430 1.00 0.00 N ATOM 550 CA LEU A 34 6.224 -7.844 -2.234 1.00 0.00 C ATOM 551 C LEU A 34 5.069 -8.787 -2.640 1.00 0.00 C ATOM 552 O LEU A 34 4.872 -9.814 -2.014 1.00 0.00 O ATOM 553 CB LEU A 34 5.716 -6.501 -1.681 1.00 0.00 C ATOM 554 CG LEU A 34 4.962 -6.662 -0.368 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.927 -6.965 0.757 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.252 -5.352 -0.057 1.00 0.00 C ATOM 0 H LEU A 34 6.806 -6.484 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 34 6.793 -8.415 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.562 -5.830 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.063 -6.032 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 34 4.249 -7.481 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.375 -7.078 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.462 -7.889 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.641 -6.147 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.706 -5.448 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.987 -4.552 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.554 -5.117 -0.861 1.00 0.00 H new ATOM 568 N LYS A 35 4.316 -8.450 -3.683 1.00 0.00 N ATOM 569 CA LYS A 35 3.177 -9.339 -4.135 1.00 0.00 C ATOM 570 C LYS A 35 3.731 -10.673 -4.676 1.00 0.00 C ATOM 571 O LYS A 35 3.100 -11.706 -4.530 1.00 0.00 O ATOM 572 CB LYS A 35 2.402 -8.549 -5.227 1.00 0.00 C ATOM 573 CG LYS A 35 1.253 -7.759 -4.606 1.00 0.00 C ATOM 574 CD LYS A 35 -0.012 -7.932 -5.456 1.00 0.00 C ATOM 575 CE LYS A 35 -1.248 -7.879 -4.551 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.818 -9.260 -4.564 1.00 0.00 N ATOM 0 H LYS A 35 4.443 -7.602 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 35 2.508 -9.590 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.081 -7.869 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.013 -9.239 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.069 -8.105 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.518 -6.704 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.066 -7.147 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.022 -8.883 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.980 -7.576 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.972 -7.153 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.498 -9.362 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.302 -9.427 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.051 -9.953 -4.448 1.00 0.00 H new ATOM 590 N ASP A 36 4.909 -10.658 -5.282 1.00 0.00 N ATOM 591 CA ASP A 36 5.524 -11.923 -5.817 1.00 0.00 C ATOM 592 C ASP A 36 6.298 -12.692 -4.721 1.00 0.00 C ATOM 593 O ASP A 36 6.269 -13.911 -4.700 1.00 0.00 O ATOM 594 CB ASP A 36 6.476 -11.478 -6.941 1.00 0.00 C ATOM 595 CG ASP A 36 5.685 -11.232 -8.234 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.218 -10.122 -8.425 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.564 -12.160 -9.014 1.00 0.00 O ATOM 0 H ASP A 36 5.469 -9.818 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 36 4.756 -12.607 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.999 -10.568 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.235 -12.242 -7.109 1.00 0.00 H new ATOM 602 N ASP A 37 6.998 -12.002 -3.826 1.00 0.00 N ATOM 603 CA ASP A 37 7.786 -12.713 -2.754 1.00 0.00 C ATOM 604 C ASP A 37 7.258 -12.381 -1.336 1.00 0.00 C ATOM 605 O ASP A 37 7.417 -11.267 -0.862 1.00 0.00 O ATOM 606 CB ASP A 37 9.234 -12.227 -2.918 1.00 0.00 C ATOM 607 CG ASP A 37 10.194 -13.270 -2.330 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.158 -13.474 -1.126 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.947 -13.847 -3.092 1.00 0.00 O ATOM 0 H ASP A 37 7.054 -10.984 -3.796 1.00 0.00 H new ATOM 0 HA ASP A 37 7.700 -13.794 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.457 -12.065 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.367 -11.270 -2.414 1.00 0.00 H new ATOM 614 N PRO A 38 6.651 -13.375 -0.698 1.00 0.00 N ATOM 615 CA PRO A 38 6.102 -13.200 0.681 1.00 0.00 C ATOM 616 C PRO A 38 7.206 -13.109 1.763 1.00 0.00 C ATOM 617 O PRO A 38 7.095 -12.316 2.682 1.00 0.00 O ATOM 618 CB PRO A 38 5.261 -14.460 0.887 1.00 0.00 C ATOM 619 CG PRO A 38 5.869 -15.481 -0.011 1.00 0.00 C ATOM 620 CD PRO A 38 6.399 -14.739 -1.201 1.00 0.00 C ATOM 0 HA PRO A 38 5.543 -12.269 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.285 -14.785 1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.216 -14.283 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.668 -16.019 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.129 -16.222 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.312 -15.198 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.679 -14.734 -2.020 1.00 0.00 H new ATOM 628 N SER A 39 8.247 -13.925 1.678 1.00 0.00 N ATOM 629 CA SER A 39 9.340 -13.898 2.725 1.00 0.00 C ATOM 630 C SER A 39 10.143 -12.579 2.693 1.00 0.00 C ATOM 631 O SER A 39 10.636 -12.139 3.717 1.00 0.00 O ATOM 632 CB SER A 39 10.248 -15.102 2.422 1.00 0.00 C ATOM 633 OG SER A 39 11.010 -14.867 1.239 1.00 0.00 O ATOM 0 H SER A 39 8.386 -14.606 0.931 1.00 0.00 H new ATOM 0 HA SER A 39 8.913 -13.957 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.917 -15.281 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.643 -16.000 2.299 1.00 0.00 H new ATOM 0 HG SER A 39 10.472 -14.354 0.600 1.00 0.00 H new ATOM 639 N GLN A 40 10.269 -11.949 1.540 1.00 0.00 N ATOM 640 CA GLN A 40 11.034 -10.660 1.451 1.00 0.00 C ATOM 641 C GLN A 40 10.163 -9.445 1.828 1.00 0.00 C ATOM 642 O GLN A 40 10.647 -8.335 1.806 1.00 0.00 O ATOM 643 CB GLN A 40 11.465 -10.544 -0.023 1.00 0.00 C ATOM 644 CG GLN A 40 12.957 -10.853 -0.162 1.00 0.00 C ATOM 645 CD GLN A 40 13.191 -12.366 -0.048 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.300 -12.894 1.040 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.274 -13.091 -1.132 1.00 0.00 N ATOM 0 H GLN A 40 9.873 -12.275 0.658 1.00 0.00 H new ATOM 0 HA GLN A 40 11.876 -10.665 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.884 -11.234 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.258 -9.540 -0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.324 -10.491 -1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.519 -10.330 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.183 -12.651 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.430 -14.097 -1.062 1.00 0.00 H new ATOM 656 N SER A 41 8.887 -9.630 2.135 1.00 0.00 N ATOM 657 CA SER A 41 7.994 -8.460 2.457 1.00 0.00 C ATOM 658 C SER A 41 8.527 -7.580 3.596 1.00 0.00 C ATOM 659 O SER A 41 8.566 -6.372 3.446 1.00 0.00 O ATOM 660 CB SER A 41 6.634 -9.067 2.832 1.00 0.00 C ATOM 661 OG SER A 41 6.757 -9.864 4.008 1.00 0.00 O ATOM 0 H SER A 41 8.430 -10.541 2.175 1.00 0.00 H new ATOM 0 HA SER A 41 7.933 -7.794 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.906 -8.273 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.260 -9.676 2.009 1.00 0.00 H new ATOM 0 HG SER A 41 6.887 -10.802 3.755 1.00 0.00 H new ATOM 667 N ALA A 42 8.949 -8.140 4.717 1.00 0.00 N ATOM 668 CA ALA A 42 9.494 -7.263 5.814 1.00 0.00 C ATOM 669 C ALA A 42 10.728 -6.523 5.305 1.00 0.00 C ATOM 670 O ALA A 42 10.836 -5.326 5.467 1.00 0.00 O ATOM 671 CB ALA A 42 9.919 -8.180 6.927 1.00 0.00 C ATOM 0 H ALA A 42 8.940 -9.141 4.915 1.00 0.00 H new ATOM 0 HA ALA A 42 8.748 -6.540 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.323 -7.590 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.059 -8.750 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.684 -8.865 6.562 1.00 0.00 H new ATOM 677 N ASN A 43 11.634 -7.238 4.651 1.00 0.00 N ATOM 678 CA ASN A 43 12.850 -6.589 4.061 1.00 0.00 C ATOM 679 C ASN A 43 12.409 -5.509 3.092 1.00 0.00 C ATOM 680 O ASN A 43 13.017 -4.480 3.015 1.00 0.00 O ATOM 681 CB ASN A 43 13.576 -7.665 3.261 1.00 0.00 C ATOM 682 CG ASN A 43 14.852 -8.104 3.989 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.920 -8.108 3.410 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.791 -8.478 5.242 1.00 0.00 N ATOM 0 H ASN A 43 11.575 -8.246 4.505 1.00 0.00 H new ATOM 0 HA ASN A 43 13.481 -6.159 4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.920 -8.523 3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.827 -7.284 2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.638 -8.771 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.896 -8.476 5.732 1.00 0.00 H new ATOM 691 N LEU A 44 11.338 -5.764 2.362 1.00 0.00 N ATOM 692 CA LEU A 44 10.808 -4.766 1.389 1.00 0.00 C ATOM 693 C LEU A 44 10.319 -3.551 2.106 1.00 0.00 C ATOM 694 O LEU A 44 10.606 -2.446 1.692 1.00 0.00 O ATOM 695 CB LEU A 44 9.692 -5.456 0.645 1.00 0.00 C ATOM 696 CG LEU A 44 10.346 -6.357 -0.371 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.286 -7.240 -1.000 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.049 -5.469 -1.401 1.00 0.00 C ATOM 0 H LEU A 44 10.809 -6.635 2.407 1.00 0.00 H new ATOM 0 HA LEU A 44 11.579 -4.427 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.068 -6.031 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.043 -4.728 0.157 1.00 0.00 H new ATOM 0 HG LEU A 44 11.088 -7.013 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.749 -7.896 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.809 -7.842 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.537 -6.617 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.533 -6.095 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.316 -4.823 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.799 -4.856 -0.901 1.00 0.00 H new ATOM 710 N LEU A 45 9.641 -3.725 3.209 1.00 0.00 N ATOM 711 CA LEU A 45 9.242 -2.521 3.965 1.00 0.00 C ATOM 712 C LEU A 45 10.511 -1.903 4.555 1.00 0.00 C ATOM 713 O LEU A 45 10.684 -0.722 4.498 1.00 0.00 O ATOM 714 CB LEU A 45 8.282 -2.958 5.045 1.00 0.00 C ATOM 715 CG LEU A 45 8.074 -1.805 6.022 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.740 -0.507 5.254 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.947 -2.180 6.971 1.00 0.00 C ATOM 0 H LEU A 45 9.357 -4.622 3.604 1.00 0.00 H new ATOM 0 HA LEU A 45 8.749 -1.777 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.330 -3.255 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.676 -3.829 5.569 1.00 0.00 H new ATOM 0 HG LEU A 45 8.986 -1.625 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.594 0.308 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.562 -0.260 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.828 -0.651 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.782 -1.368 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.035 -2.356 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.215 -3.086 7.514 1.00 0.00 H new ATOM 729 N ALA A 46 11.409 -2.708 5.091 1.00 0.00 N ATOM 730 CA ALA A 46 12.698 -2.156 5.642 1.00 0.00 C ATOM 731 C ALA A 46 13.445 -1.379 4.561 1.00 0.00 C ATOM 732 O ALA A 46 13.888 -0.287 4.809 1.00 0.00 O ATOM 733 CB ALA A 46 13.541 -3.363 6.005 1.00 0.00 C ATOM 0 H ALA A 46 11.305 -3.720 5.170 1.00 0.00 H new ATOM 0 HA ALA A 46 12.506 -1.495 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.496 -3.031 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.017 -3.962 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.717 -3.965 5.114 1.00 0.00 H new ATOM 739 N GLU A 47 13.570 -1.934 3.362 1.00 0.00 N ATOM 740 CA GLU A 47 14.266 -1.201 2.261 1.00 0.00 C ATOM 741 C GLU A 47 13.398 -0.013 1.847 1.00 0.00 C ATOM 742 O GLU A 47 13.919 1.048 1.582 1.00 0.00 O ATOM 743 CB GLU A 47 14.553 -2.191 1.114 1.00 0.00 C ATOM 744 CG GLU A 47 13.309 -2.827 0.552 1.00 0.00 C ATOM 745 CD GLU A 47 13.728 -4.020 -0.319 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.955 -3.825 -1.499 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.837 -5.113 0.221 1.00 0.00 O ATOM 0 H GLU A 47 13.218 -2.858 3.111 1.00 0.00 H new ATOM 0 HA GLU A 47 15.228 -0.798 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.078 -1.668 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.221 -2.973 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.654 -3.157 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.747 -2.104 -0.039 1.00 0.00 H new ATOM 754 N ALA A 48 12.075 -0.154 1.852 1.00 0.00 N ATOM 755 CA ALA A 48 11.208 1.010 1.548 1.00 0.00 C ATOM 756 C ALA A 48 11.364 2.078 2.643 1.00 0.00 C ATOM 757 O ALA A 48 11.414 3.257 2.357 1.00 0.00 O ATOM 758 CB ALA A 48 9.808 0.435 1.576 1.00 0.00 C ATOM 0 H ALA A 48 11.582 -1.024 2.054 1.00 0.00 H new ATOM 0 HA ALA A 48 11.450 1.487 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.087 1.223 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.722 -0.350 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.606 0.017 2.562 1.00 0.00 H new ATOM 764 N LYS A 49 11.488 1.653 3.890 1.00 0.00 N ATOM 765 CA LYS A 49 11.692 2.603 5.024 1.00 0.00 C ATOM 766 C LYS A 49 13.119 3.150 4.935 1.00 0.00 C ATOM 767 O LYS A 49 13.368 4.321 5.145 1.00 0.00 O ATOM 768 CB LYS A 49 11.458 1.756 6.275 1.00 0.00 C ATOM 769 CG LYS A 49 10.020 1.996 6.728 1.00 0.00 C ATOM 770 CD LYS A 49 9.482 0.742 7.387 1.00 0.00 C ATOM 771 CE LYS A 49 9.946 0.713 8.836 1.00 0.00 C ATOM 772 NZ LYS A 49 9.194 -0.408 9.477 1.00 0.00 N ATOM 0 H LYS A 49 11.454 0.671 4.163 1.00 0.00 H new ATOM 0 HA LYS A 49 11.026 3.466 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.621 0.700 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.159 2.033 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.982 2.832 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.399 2.266 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.393 0.728 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.836 -0.144 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.022 0.550 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.737 1.660 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.468 -0.482 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.173 -0.224 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.418 -1.299 8.990 1.00 0.00 H new ATOM 786 N LYS A 50 14.027 2.290 4.525 1.00 0.00 N ATOM 787 CA LYS A 50 15.450 2.674 4.282 1.00 0.00 C ATOM 788 C LYS A 50 15.454 3.741 3.169 1.00 0.00 C ATOM 789 O LYS A 50 16.188 4.711 3.230 1.00 0.00 O ATOM 790 CB LYS A 50 16.089 1.340 3.833 1.00 0.00 C ATOM 791 CG LYS A 50 17.343 1.528 2.971 1.00 0.00 C ATOM 792 CD LYS A 50 17.451 0.336 2.000 1.00 0.00 C ATOM 793 CE LYS A 50 17.915 -0.917 2.763 1.00 0.00 C ATOM 794 NZ LYS A 50 18.158 -1.954 1.715 1.00 0.00 N ATOM 0 H LYS A 50 13.828 1.306 4.344 1.00 0.00 H new ATOM 0 HA LYS A 50 15.986 3.101 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.347 0.754 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.354 0.764 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.285 2.465 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.231 1.585 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.486 0.150 1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.155 0.568 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.821 -0.716 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.157 -1.247 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.477 -2.835 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.277 -2.132 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.889 -1.617 1.057 1.00 0.00 H new ATOM 808 N LEU A 51 14.587 3.569 2.182 1.00 0.00 N ATOM 809 CA LEU A 51 14.457 4.564 1.071 1.00 0.00 C ATOM 810 C LEU A 51 13.778 5.830 1.588 1.00 0.00 C ATOM 811 O LEU A 51 14.117 6.921 1.195 1.00 0.00 O ATOM 812 CB LEU A 51 13.553 3.891 0.028 1.00 0.00 C ATOM 813 CG LEU A 51 14.360 3.294 -1.129 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.728 2.789 -0.664 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.580 2.124 -1.700 1.00 0.00 C ATOM 0 H LEU A 51 13.960 2.768 2.107 1.00 0.00 H new ATOM 0 HA LEU A 51 15.427 4.844 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.969 3.105 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.844 4.621 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 51 14.521 4.072 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.270 2.373 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.297 3.617 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.593 2.017 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.138 1.684 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.429 1.374 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.612 2.473 -2.060 1.00 0.00 H new ATOM 827 N ASN A 52 12.815 5.672 2.471 1.00 0.00 N ATOM 828 CA ASN A 52 12.085 6.843 3.043 1.00 0.00 C ATOM 829 C ASN A 52 13.072 7.802 3.733 1.00 0.00 C ATOM 830 O ASN A 52 12.979 9.002 3.575 1.00 0.00 O ATOM 831 CB ASN A 52 11.112 6.237 4.061 1.00 0.00 C ATOM 832 CG ASN A 52 10.151 7.312 4.557 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.246 7.701 3.855 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.317 7.816 5.747 1.00 0.00 N ATOM 0 H ASN A 52 12.503 4.766 2.821 1.00 0.00 H new ATOM 0 HA ASN A 52 11.567 7.425 2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.554 5.420 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.665 5.815 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.683 8.539 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.080 7.487 6.338 1.00 0.00 H new ATOM 841 N ASP A 53 14.020 7.268 4.479 1.00 0.00 N ATOM 842 CA ASP A 53 15.036 8.136 5.175 1.00 0.00 C ATOM 843 C ASP A 53 16.150 8.570 4.200 1.00 0.00 C ATOM 844 O ASP A 53 16.607 9.698 4.247 1.00 0.00 O ATOM 845 CB ASP A 53 15.622 7.280 6.308 1.00 0.00 C ATOM 846 CG ASP A 53 14.517 6.837 7.286 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.801 7.696 7.783 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.406 5.647 7.519 1.00 0.00 O ATOM 0 H ASP A 53 14.134 6.267 4.636 1.00 0.00 H new ATOM 0 HA ASP A 53 14.577 9.048 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.116 6.403 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.382 7.849 6.844 1.00 0.00 H new ATOM 853 N ALA A 54 16.582 7.680 3.320 1.00 0.00 N ATOM 854 CA ALA A 54 17.664 8.034 2.330 1.00 0.00 C ATOM 855 C ALA A 54 17.140 9.068 1.317 1.00 0.00 C ATOM 856 O ALA A 54 17.797 10.056 1.037 1.00 0.00 O ATOM 857 CB ALA A 54 18.021 6.720 1.629 1.00 0.00 C ATOM 0 H ALA A 54 16.231 6.725 3.247 1.00 0.00 H new ATOM 0 HA ALA A 54 18.534 8.478 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.804 6.901 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.375 5.999 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.138 6.323 1.129 1.00 0.00 H new ATOM 863 N GLN A 55 15.947 8.853 0.797 1.00 0.00 N ATOM 864 CA GLN A 55 15.331 9.822 -0.174 1.00 0.00 C ATOM 865 C GLN A 55 14.708 11.030 0.570 1.00 0.00 C ATOM 866 O GLN A 55 14.305 11.995 -0.059 1.00 0.00 O ATOM 867 CB GLN A 55 14.231 9.043 -0.909 1.00 0.00 C ATOM 868 CG GLN A 55 14.834 7.864 -1.694 1.00 0.00 C ATOM 869 CD GLN A 55 13.722 7.158 -2.469 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.795 7.026 -3.674 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.684 6.701 -1.824 1.00 0.00 N ATOM 0 H GLN A 55 15.370 8.039 1.007 1.00 0.00 H new ATOM 0 HA GLN A 55 16.082 10.216 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.499 8.673 -0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.701 9.708 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.601 8.222 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.318 7.166 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.623 6.812 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.934 6.233 -2.332 1.00 0.00 H new ATOM 880 N ALA A 56 14.614 10.977 1.899 1.00 0.00 N ATOM 881 CA ALA A 56 14.009 12.112 2.680 1.00 0.00 C ATOM 882 C ALA A 56 14.810 13.409 2.524 1.00 0.00 C ATOM 883 O ALA A 56 16.003 13.379 2.266 1.00 0.00 O ATOM 884 CB ALA A 56 14.034 11.690 4.153 1.00 0.00 C ATOM 0 H ALA A 56 14.933 10.192 2.466 1.00 0.00 H new ATOM 0 HA ALA A 56 13.001 12.308 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.604 12.482 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.452 10.777 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.064 11.510 4.463 1.00 0.00 H new ATOM 1014 N ASN B 6 0.000 -5.854 -9.220 1.00 0.00 N ATOM 1015 CA ASN B 6 0.937 -5.015 -8.381 1.00 0.00 C ATOM 1016 C ASN B 6 0.854 -3.552 -8.828 1.00 0.00 C ATOM 1017 O ASN B 6 0.799 -2.646 -8.011 1.00 0.00 O ATOM 1018 CB ASN B 6 2.366 -5.559 -8.597 1.00 0.00 C ATOM 1019 CG ASN B 6 2.433 -7.096 -8.459 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.567 -7.715 -7.880 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.435 -7.743 -8.986 1.00 0.00 N ATOM 0 HA ASN B 6 0.668 -5.066 -7.326 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.717 -5.269 -9.587 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.040 -5.101 -7.873 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.484 -8.759 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.170 -7.233 -9.476 1.00 0.00 H new ATOM 1028 N LYS B 7 0.799 -3.336 -10.125 1.00 0.00 N ATOM 1029 CA LYS B 7 0.661 -1.945 -10.687 1.00 0.00 C ATOM 1030 C LYS B 7 -0.644 -1.311 -10.183 1.00 0.00 C ATOM 1031 O LYS B 7 -0.726 -0.114 -9.970 1.00 0.00 O ATOM 1032 CB LYS B 7 0.616 -2.124 -12.209 1.00 0.00 C ATOM 1033 CG LYS B 7 0.718 -0.760 -12.900 1.00 0.00 C ATOM 1034 CD LYS B 7 0.603 -0.945 -14.418 1.00 0.00 C ATOM 1035 CE LYS B 7 0.848 0.397 -15.127 1.00 0.00 C ATOM 1036 NZ LYS B 7 -0.488 1.063 -15.209 1.00 0.00 N ATOM 0 H LYS B 7 0.844 -4.073 -10.828 1.00 0.00 H new ATOM 0 HA LYS B 7 1.480 -1.293 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.435 -2.767 -12.532 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.311 -2.619 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.072 -0.100 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.667 -0.285 -12.652 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.327 -1.684 -14.759 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.386 -1.326 -14.673 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.557 1.010 -14.570 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.270 0.243 -16.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.389 1.984 -15.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.142 0.463 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -0.864 1.206 -14.250 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.653 -2.126 -9.982 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.962 -1.622 -9.465 1.00 0.00 C ATOM 1052 C GLU B 8 -2.827 -1.141 -8.022 1.00 0.00 C ATOM 1053 O GLU B 8 -3.457 -0.183 -7.651 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.932 -2.805 -9.570 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.839 -2.618 -10.788 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.430 -3.972 -11.210 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.263 -4.496 -10.484 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.036 -4.461 -12.254 1.00 0.00 O ATOM 0 H GLU B 8 -1.623 -3.130 -10.157 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.320 -0.766 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.375 -3.738 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.533 -2.877 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.641 -1.919 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.272 -2.186 -11.612 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.973 -1.752 -7.224 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.783 -1.253 -5.815 1.00 0.00 C ATOM 1067 C LEU B 9 -0.957 0.033 -5.843 1.00 0.00 C ATOM 1068 O LEU B 9 -1.027 0.838 -4.937 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.029 -2.299 -4.998 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.556 -3.713 -5.245 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.498 -4.733 -4.776 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.857 -3.872 -4.443 1.00 0.00 C ATOM 0 H LEU B 9 -1.408 -2.561 -7.481 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.758 -1.065 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.031 -2.259 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.115 -2.061 -3.938 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.753 -3.885 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.866 -5.744 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.425 -4.582 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.305 -4.594 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.260 -4.873 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.651 -3.724 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.584 -3.132 -4.779 1.00 0.00 H new ATOM 1084 N SER B 10 -0.193 0.233 -6.894 1.00 0.00 N ATOM 1085 CA SER B 10 0.609 1.472 -7.017 1.00 0.00 C ATOM 1086 C SER B 10 -0.378 2.654 -7.118 1.00 0.00 C ATOM 1087 O SER B 10 -0.280 3.626 -6.387 1.00 0.00 O ATOM 1088 CB SER B 10 1.420 1.270 -8.315 1.00 0.00 C ATOM 1089 OG SER B 10 1.346 2.427 -9.147 1.00 0.00 O ATOM 0 H SER B 10 -0.097 -0.420 -7.672 1.00 0.00 H new ATOM 0 HA SER B 10 1.276 1.677 -6.180 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.461 1.060 -8.069 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.039 0.404 -8.855 1.00 0.00 H new ATOM 0 HG SER B 10 1.730 2.223 -10.025 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.351 2.536 -8.014 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.378 3.618 -8.204 1.00 0.00 C ATOM 1097 C VAL B 11 -3.483 3.508 -7.138 1.00 0.00 C ATOM 1098 O VAL B 11 -3.779 4.468 -6.448 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.961 3.386 -9.619 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.831 4.580 -10.023 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.826 3.213 -10.646 1.00 0.00 C ATOM 0 H VAL B 11 -1.472 1.727 -8.623 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.943 4.612 -8.103 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.566 2.480 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.239 4.412 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.648 4.692 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.226 5.486 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.253 3.051 -11.636 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.208 4.111 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.213 2.355 -10.370 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.088 2.340 -7.007 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.179 2.135 -5.994 1.00 0.00 C ATOM 1113 C ALA B 12 -4.639 2.292 -4.582 1.00 0.00 C ATOM 1114 O ALA B 12 -5.148 3.065 -3.803 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.689 0.695 -6.202 1.00 0.00 C ATOM 0 H ALA B 12 -3.867 1.516 -7.566 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.974 2.870 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.488 0.486 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.070 0.587 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.870 -0.007 -6.045 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.607 1.562 -4.270 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.991 1.600 -2.919 1.00 0.00 C ATOM 1123 C GLY B 13 -2.544 2.996 -2.543 1.00 0.00 C ATOM 1124 O GLY B 13 -2.922 3.498 -1.504 1.00 0.00 O ATOM 0 H GLY B 13 -3.151 0.920 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.708 1.237 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.136 0.925 -2.891 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.702 3.598 -3.350 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.182 4.950 -2.977 1.00 0.00 C ATOM 1130 C ARG B 14 -2.305 6.004 -2.834 1.00 0.00 C ATOM 1131 O ARG B 14 -2.256 6.815 -1.936 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.170 5.359 -4.044 1.00 0.00 C ATOM 1133 CG ARG B 14 0.736 6.497 -3.513 1.00 0.00 C ATOM 1134 CD ARG B 14 1.209 6.223 -2.064 1.00 0.00 C ATOM 1135 NE ARG B 14 2.670 6.546 -2.039 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.082 7.731 -1.663 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.361 7.956 -0.400 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.227 8.685 -2.549 1.00 0.00 N ATOM 0 H ARG B 14 -1.359 3.220 -4.233 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.711 4.898 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.440 4.500 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.691 5.689 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.603 6.606 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.192 7.441 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.661 6.839 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.034 5.183 -1.787 1.00 0.00 H new ATOM 0 HE ARG B 14 3.350 5.838 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.257 7.209 0.286 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.682 8.878 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.019 8.505 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.548 9.608 -2.257 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.318 5.995 -3.678 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.432 7.006 -3.516 1.00 0.00 C ATOM 1154 C GLU B 15 -5.220 6.708 -2.219 1.00 0.00 C ATOM 1155 O GLU B 15 -5.521 7.603 -1.454 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.328 6.844 -4.744 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.676 7.489 -5.974 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.919 9.004 -5.952 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.002 9.416 -6.341 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -4.022 9.722 -5.547 1.00 0.00 O ATOM 0 H GLU B 15 -3.425 5.347 -4.458 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.053 8.025 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.508 5.786 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.298 7.304 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.606 7.282 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.090 7.058 -6.885 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.503 5.439 -1.975 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.228 4.977 -0.725 1.00 0.00 C ATOM 1169 C ILE B 16 -5.415 5.307 0.539 1.00 0.00 C ATOM 1170 O ILE B 16 -5.963 5.525 1.608 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.314 3.440 -0.898 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.306 3.111 -2.021 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.788 2.760 0.391 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.167 1.651 -2.457 1.00 0.00 C ATOM 0 H ILE B 16 -5.254 4.680 -2.609 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.198 5.460 -0.609 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.318 3.071 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.324 3.298 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.130 3.768 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.838 1.682 0.237 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.087 2.979 1.197 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.776 3.134 0.658 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.880 1.440 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.154 1.474 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.368 0.997 -1.608 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.118 5.296 0.412 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.211 5.554 1.566 1.00 0.00 C ATOM 1188 C VAL B 17 -2.863 7.059 1.719 1.00 0.00 C ATOM 1189 O VAL B 17 -2.320 7.451 2.739 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.993 4.676 1.208 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.013 5.392 0.304 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.287 4.191 2.442 1.00 0.00 C ATOM 0 H VAL B 17 -3.636 5.114 -0.468 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.644 5.311 2.536 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.385 3.817 0.663 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.174 4.732 0.081 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.511 5.671 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.646 6.289 0.803 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.434 3.576 2.155 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.939 5.046 3.022 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.975 3.599 3.046 1.00 0.00 H new ATOM 1202 N THR B 18 -3.140 7.901 0.720 1.00 0.00 N ATOM 1203 CA THR B 18 -2.778 9.364 0.841 1.00 0.00 C ATOM 1204 C THR B 18 -3.984 10.324 0.813 1.00 0.00 C ATOM 1205 O THR B 18 -3.770 11.523 0.908 1.00 0.00 O ATOM 1206 CB THR B 18 -1.860 9.685 -0.354 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.549 9.452 -1.580 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.605 8.821 -0.294 1.00 0.00 C ATOM 0 H THR B 18 -3.593 7.637 -0.155 1.00 0.00 H new ATOM 0 HA THR B 18 -2.305 9.516 1.811 1.00 0.00 H new ATOM 0 HB THR B 18 -1.573 10.735 -0.304 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.420 8.521 -1.856 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.038 9.054 -1.142 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.069 9.022 0.634 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.886 7.768 -0.330 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.234 9.870 0.679 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.357 10.890 0.653 1.00 0.00 C ATOM 1218 C LEU B 19 -6.399 11.695 1.986 1.00 0.00 C ATOM 1219 O LEU B 19 -6.018 11.190 3.031 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.674 10.172 0.320 1.00 0.00 C ATOM 1221 CG LEU B 19 -7.954 8.989 1.241 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.410 9.070 1.650 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.722 7.675 0.489 1.00 0.00 C ATOM 0 H LEU B 19 -5.510 8.892 0.591 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.186 11.631 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.497 10.883 0.390 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.641 9.823 -0.712 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.295 9.019 2.109 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.649 8.237 2.312 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.590 10.010 2.171 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.041 9.021 0.762 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -7.924 6.835 1.154 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.389 7.626 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.687 7.628 0.149 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.755 12.969 1.862 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.712 13.935 3.016 1.00 0.00 C ATOM 1237 C PRO B 20 -7.816 13.768 4.081 1.00 0.00 C ATOM 1238 O PRO B 20 -7.564 14.013 5.249 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.857 15.296 2.335 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.573 15.028 1.050 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.252 13.616 0.637 1.00 0.00 C ATOM 0 HA PRO B 20 -5.796 13.782 3.586 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.420 15.989 2.960 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.883 15.749 2.154 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.648 15.155 1.177 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.257 15.733 0.281 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.135 13.106 0.251 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.501 13.596 -0.153 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.023 13.401 3.712 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.119 13.282 4.751 1.00 0.00 C ATOM 1251 C ASN B 21 -10.159 11.897 5.419 1.00 0.00 C ATOM 1252 O ASN B 21 -11.092 11.597 6.146 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.442 13.515 4.010 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.537 14.930 3.420 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.715 15.790 3.679 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.538 15.205 2.634 1.00 0.00 N ATOM 0 H ASN B 21 -9.301 13.181 2.756 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.941 14.007 5.545 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.542 12.782 3.209 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.274 13.353 4.696 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.632 16.140 2.236 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.228 14.486 2.416 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.184 11.048 5.178 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.200 9.684 5.789 1.00 0.00 C ATOM 1265 C LEU B 22 -8.366 9.612 7.066 1.00 0.00 C ATOM 1266 O LEU B 22 -7.477 10.414 7.307 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.593 8.777 4.732 1.00 0.00 C ATOM 1268 CG LEU B 22 -8.895 7.300 5.001 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.395 7.008 4.830 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.094 6.462 4.006 1.00 0.00 C ATOM 0 H LEU B 22 -8.379 11.245 4.583 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.213 9.400 6.073 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -8.980 9.053 3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.514 8.927 4.702 1.00 0.00 H new ATOM 0 HG LEU B 22 -8.618 7.053 6.026 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.585 5.953 5.026 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -10.966 7.616 5.531 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.699 7.248 3.811 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.293 5.404 4.178 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.387 6.726 2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.030 6.657 4.139 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.642 8.608 7.847 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.883 8.361 9.121 1.00 0.00 C ATOM 1284 C ASN B 23 -7.067 7.056 9.000 1.00 0.00 C ATOM 1285 O ASN B 23 -7.349 6.214 8.163 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.931 8.300 10.257 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.939 7.148 10.071 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.992 6.515 9.039 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.758 6.854 11.043 1.00 0.00 N ATOM 0 H ASN B 23 -9.378 7.927 7.658 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.164 9.153 9.331 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.420 8.180 11.212 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.470 9.246 10.301 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.434 6.098 10.930 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.723 7.380 11.916 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.030 6.911 9.807 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.127 5.699 9.729 1.00 0.00 C ATOM 1298 C ASP B 24 -5.844 4.313 9.790 1.00 0.00 C ATOM 1299 O ASP B 24 -5.395 3.413 9.099 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.066 5.855 10.847 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.688 5.823 12.250 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.139 6.863 12.702 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.688 4.761 12.851 1.00 0.00 O ATOM 0 H ASP B 24 -5.767 7.587 10.524 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.674 5.682 8.738 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.330 5.056 10.760 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.533 6.796 10.710 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.907 4.138 10.588 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.572 2.799 10.646 1.00 0.00 C ATOM 1310 C PRO B 25 -8.309 2.446 9.336 1.00 0.00 C ATOM 1311 O PRO B 25 -8.339 1.289 8.950 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.557 2.929 11.808 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.837 4.391 11.909 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.586 5.103 11.480 1.00 0.00 C ATOM 0 HA PRO B 25 -6.848 1.996 10.782 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.469 2.364 11.618 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.130 2.543 12.734 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.677 4.669 11.273 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.106 4.663 12.929 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.816 6.033 10.960 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.962 5.362 12.335 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.912 3.412 8.651 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.645 3.081 7.380 1.00 0.00 C ATOM 1324 C GLN B 26 -8.659 2.826 6.233 1.00 0.00 C ATOM 1325 O GLN B 26 -8.795 1.828 5.554 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.602 4.246 7.120 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.666 4.238 8.236 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.819 5.189 7.909 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.967 4.818 8.034 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.573 6.404 7.517 1.00 0.00 N ATOM 0 H GLN B 26 -8.924 4.396 8.918 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.217 2.157 7.462 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.060 5.192 7.115 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.073 4.143 6.142 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.051 3.227 8.367 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.208 4.530 9.181 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.609 6.720 7.411 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.344 7.041 7.316 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.639 3.670 6.036 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.620 3.374 4.947 1.00 0.00 C ATOM 1341 C LYS B 27 -6.047 1.981 5.173 1.00 0.00 C ATOM 1342 O LYS B 27 -5.862 1.224 4.238 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.486 4.420 4.981 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.057 4.841 6.395 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.376 6.215 6.312 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.413 7.315 6.029 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.961 8.509 6.807 1.00 0.00 N ATOM 0 H LYS B 27 -7.475 4.525 6.568 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.105 3.420 3.972 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.620 4.017 4.456 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.808 5.305 4.433 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.923 4.887 7.055 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.373 4.105 6.818 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.858 6.428 7.247 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.622 6.207 5.525 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.465 7.539 4.964 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.410 7.001 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.713 9.227 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.750 8.226 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.105 8.905 6.369 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.821 1.633 6.421 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.321 0.267 6.761 1.00 0.00 C ATOM 1363 C LYS B 28 -6.315 -0.790 6.236 1.00 0.00 C ATOM 1364 O LYS B 28 -5.925 -1.789 5.660 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.345 0.199 8.302 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.945 0.323 8.865 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.345 -1.071 9.045 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.815 -0.982 9.060 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.345 -2.163 9.846 1.00 0.00 N ATOM 0 H LYS B 28 -5.964 2.246 7.223 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.335 0.083 6.334 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.973 0.998 8.696 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.789 -0.743 8.623 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.322 0.915 8.194 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.971 0.846 9.821 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.701 -1.513 9.976 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.672 -1.725 8.236 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.412 -1.001 8.047 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.482 -0.050 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.382 -1.986 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.983 -2.320 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.343 -3.006 9.237 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.601 -0.556 6.473 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.677 -1.515 6.047 1.00 0.00 C ATOM 1385 C ALA B 29 -8.696 -1.735 4.527 1.00 0.00 C ATOM 1386 O ALA B 29 -8.665 -2.875 4.092 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.998 -0.890 6.514 1.00 0.00 C ATOM 0 H ALA B 29 -7.947 0.275 6.952 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.505 -2.498 6.485 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.827 -1.540 6.234 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.981 -0.769 7.597 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.126 0.084 6.043 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.740 -0.684 3.705 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.752 -0.955 2.224 1.00 0.00 C ATOM 1395 C PHE B 30 -7.354 -1.347 1.731 1.00 0.00 C ATOM 1396 O PHE B 30 -7.260 -2.165 0.855 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.268 0.240 1.369 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.769 1.440 2.128 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.862 2.380 2.591 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.145 1.657 2.282 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.321 3.540 3.212 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.598 2.806 2.913 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.687 3.754 3.377 1.00 0.00 C ATOM 0 H PHE B 30 -8.767 0.296 3.986 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.453 -1.779 2.089 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.461 0.564 0.712 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.074 -0.120 0.729 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.802 2.214 2.471 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.852 0.930 1.910 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.615 4.276 3.567 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.658 2.967 3.045 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.040 4.652 3.863 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.265 -0.794 2.265 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.913 -1.223 1.748 1.00 0.00 C ATOM 1415 C ILE B 31 -4.721 -2.735 1.988 1.00 0.00 C ATOM 1416 O ILE B 31 -4.341 -3.459 1.088 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.807 -0.432 2.485 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.695 1.012 1.910 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.450 -1.171 2.303 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.238 1.382 1.707 1.00 0.00 C ATOM 0 H ILE B 31 -6.257 -0.093 3.006 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.852 -1.021 0.679 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.059 -0.366 3.543 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.230 1.077 0.962 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.166 1.720 2.591 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.664 -0.620 2.819 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.524 -2.175 2.720 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.210 -1.236 1.242 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.172 2.393 1.305 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.715 1.336 2.662 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.779 0.683 1.008 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.963 -3.203 3.204 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.780 -4.665 3.507 1.00 0.00 C ATOM 1434 C PHE B 32 -5.728 -5.510 2.626 1.00 0.00 C ATOM 1435 O PHE B 32 -5.312 -6.512 2.078 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.040 -4.832 5.025 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.734 -4.607 5.795 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.044 -3.364 5.712 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.173 -5.649 6.590 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.843 -3.198 6.389 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.976 -5.441 7.256 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.317 -4.232 7.152 1.00 0.00 C ATOM 0 H PHE B 32 -5.277 -2.635 3.991 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.775 -5.018 3.275 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.797 -4.121 5.356 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.429 -5.829 5.231 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.453 -2.554 5.125 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.680 -6.599 6.673 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.315 -2.259 6.322 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.555 -6.230 7.861 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.381 -4.089 7.671 1.00 0.00 H new ATOM 1452 N SER B 33 -6.972 -5.087 2.421 1.00 0.00 N ATOM 1453 CA SER B 33 -7.891 -5.860 1.499 1.00 0.00 C ATOM 1454 C SER B 33 -7.435 -5.671 0.026 1.00 0.00 C ATOM 1455 O SER B 33 -7.533 -6.579 -0.775 1.00 0.00 O ATOM 1456 CB SER B 33 -9.307 -5.311 1.733 1.00 0.00 C ATOM 1457 OG SER B 33 -9.376 -3.952 1.340 1.00 0.00 O ATOM 0 H SER B 33 -7.382 -4.255 2.845 1.00 0.00 H new ATOM 0 HA SER B 33 -7.868 -6.931 1.701 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.031 -5.898 1.167 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.573 -5.407 2.786 1.00 0.00 H new ATOM 0 HG SER B 33 -8.478 -3.560 1.358 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.895 -4.502 -0.303 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.356 -4.216 -1.688 1.00 0.00 C ATOM 1465 C LEU B 34 -5.176 -5.157 -1.968 1.00 0.00 C ATOM 1466 O LEU B 34 -5.050 -5.697 -3.051 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.925 -2.726 -1.626 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.046 -2.300 -2.797 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.911 -1.994 -4.030 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.270 -1.035 -2.400 1.00 0.00 C ATOM 0 H LEU B 34 -6.805 -3.721 0.347 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.074 -4.380 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.816 -2.099 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.387 -2.550 -0.695 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.356 -3.108 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.270 -1.691 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.471 -2.886 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.606 -1.188 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.637 -0.721 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.973 -0.238 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.648 -1.247 -1.530 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.338 -5.374 -0.975 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.181 -6.303 -1.128 1.00 0.00 C ATOM 1484 C TRP B 35 -3.666 -7.755 -1.328 1.00 0.00 C ATOM 1485 O TRP B 35 -3.146 -8.475 -2.160 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.407 -6.199 0.183 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.170 -7.012 0.048 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.927 -8.181 0.671 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.026 -6.748 -0.790 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.304 -8.643 0.278 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.906 -7.786 -0.616 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.290 -5.709 -1.669 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.116 -7.787 -1.291 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.505 -5.707 -2.349 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.414 -6.738 -2.159 1.00 0.00 C ATOM 0 H TRP B 35 -4.414 -4.938 -0.056 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.574 -6.043 -1.995 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.159 -5.160 0.398 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.013 -6.561 1.014 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.591 -8.674 1.365 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.721 -9.513 0.607 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.412 -4.903 -1.822 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.821 -8.592 -1.146 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.741 -4.900 -3.027 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.357 -6.728 -2.686 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.650 -8.181 -0.555 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.178 -9.578 -0.665 1.00 0.00 C ATOM 1508 C ASP B 36 -5.975 -9.750 -1.958 1.00 0.00 C ATOM 1509 O ASP B 36 -5.842 -10.752 -2.641 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.098 -9.770 0.552 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.069 -11.233 0.996 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.850 -12.009 0.468 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.264 -11.554 1.857 1.00 0.00 O ATOM 0 H ASP B 36 -5.110 -7.609 0.153 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.371 -10.310 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.775 -9.126 1.369 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.117 -9.477 0.299 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.806 -8.780 -2.288 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.626 -8.874 -3.520 1.00 0.00 C ATOM 1520 C ASP B 37 -7.566 -7.557 -4.314 1.00 0.00 C ATOM 1521 O ASP B 37 -8.498 -6.763 -4.269 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.057 -9.175 -3.033 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.118 -10.575 -2.405 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.172 -11.537 -3.151 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.105 -10.656 -1.188 1.00 0.00 O ATOM 0 H ASP B 37 -6.943 -7.927 -1.745 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.265 -9.649 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.366 -8.427 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.754 -9.112 -3.868 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.476 -7.366 -5.048 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.327 -6.142 -5.888 1.00 0.00 C ATOM 1532 C PRO B 38 -7.288 -6.157 -7.094 1.00 0.00 C ATOM 1533 O PRO B 38 -7.373 -5.181 -7.810 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.884 -6.176 -6.341 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.494 -7.619 -6.277 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.298 -8.243 -5.166 1.00 0.00 C ATOM 0 HA PRO B 38 -6.573 -5.235 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.778 -5.783 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.252 -5.567 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.697 -8.116 -7.226 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.426 -7.722 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.584 -9.267 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.732 -8.280 -4.235 1.00 0.00 H new ATOM 1544 N SER B 39 -8.042 -7.234 -7.306 1.00 0.00 N ATOM 1545 CA SER B 39 -9.037 -7.253 -8.435 1.00 0.00 C ATOM 1546 C SER B 39 -10.041 -6.109 -8.203 1.00 0.00 C ATOM 1547 O SER B 39 -10.484 -5.454 -9.129 1.00 0.00 O ATOM 1548 CB SER B 39 -9.741 -8.612 -8.343 1.00 0.00 C ATOM 1549 OG SER B 39 -9.965 -9.119 -9.654 1.00 0.00 O ATOM 0 H SER B 39 -8.005 -8.087 -6.748 1.00 0.00 H new ATOM 0 HA SER B 39 -8.578 -7.120 -9.415 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.132 -9.311 -7.770 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.689 -8.508 -7.815 1.00 0.00 H new ATOM 0 HG SER B 39 -10.413 -9.988 -9.596 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.349 -5.848 -6.937 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.271 -4.724 -6.564 1.00 0.00 C ATOM 1557 C GLN B 40 -10.452 -3.433 -6.308 1.00 0.00 C ATOM 1558 O GLN B 40 -10.928 -2.548 -5.632 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.960 -5.130 -5.242 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.321 -6.617 -5.216 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.553 -6.846 -4.332 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.486 -7.512 -4.734 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.600 -6.323 -3.135 1.00 0.00 N ATOM 0 H GLN B 40 -9.991 -6.379 -6.143 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.991 -4.539 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.300 -4.903 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.863 -4.535 -5.107 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.520 -6.968 -6.228 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.479 -7.197 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.820 -5.763 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.417 -6.475 -2.544 1.00 0.00 H new ATOM 1572 N SER B 41 -9.224 -3.330 -6.810 1.00 0.00 N ATOM 1573 CA SER B 41 -8.381 -2.104 -6.550 1.00 0.00 C ATOM 1574 C SER B 41 -9.101 -0.817 -6.987 1.00 0.00 C ATOM 1575 O SER B 41 -9.031 0.185 -6.299 1.00 0.00 O ATOM 1576 CB SER B 41 -7.097 -2.287 -7.346 1.00 0.00 C ATOM 1577 OG SER B 41 -7.389 -2.401 -8.736 1.00 0.00 O ATOM 0 H SER B 41 -8.776 -4.043 -7.386 1.00 0.00 H new ATOM 0 HA SER B 41 -8.182 -2.000 -5.483 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.432 -1.441 -7.175 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.573 -3.179 -7.003 1.00 0.00 H new ATOM 0 HG SER B 41 -6.904 -3.166 -9.110 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.823 -0.850 -8.102 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.586 0.369 -8.548 1.00 0.00 C ATOM 1585 C ALA B 42 -11.678 0.657 -7.504 1.00 0.00 C ATOM 1586 O ALA B 42 -11.836 1.781 -7.060 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.205 0.004 -9.905 1.00 0.00 C ATOM 0 H ALA B 42 -9.912 -1.663 -8.712 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.960 1.257 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.775 0.852 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.413 -0.246 -10.611 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.867 -0.853 -9.784 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.391 -0.377 -7.081 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.438 -0.226 -6.025 1.00 0.00 C ATOM 1595 C ASN B 43 -12.788 0.179 -4.684 1.00 0.00 C ATOM 1596 O ASN B 43 -13.385 0.895 -3.909 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.111 -1.603 -5.908 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.318 -1.517 -4.965 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.253 -1.964 -3.837 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.424 -0.955 -5.377 1.00 0.00 N ATOM 0 H ASN B 43 -12.282 -1.328 -7.434 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.160 0.550 -6.277 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.431 -1.946 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.397 -2.336 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.228 -0.893 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.483 -0.578 -6.323 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.567 -0.275 -4.418 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.864 0.083 -3.138 1.00 0.00 C ATOM 1609 C LEU B 44 -10.478 1.554 -3.154 1.00 0.00 C ATOM 1610 O LEU B 44 -10.776 2.293 -2.239 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.632 -0.818 -3.116 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.991 -2.097 -2.377 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.270 -3.294 -3.011 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.578 -1.915 -0.917 1.00 0.00 C ATOM 0 H LEU B 44 -11.033 -0.880 -5.041 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.484 -0.062 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.309 -1.044 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.801 -0.314 -2.622 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.061 -2.295 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.535 -4.205 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.570 -3.388 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.192 -3.140 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.822 -2.817 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.505 -1.732 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.113 -1.066 -0.491 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.862 1.968 -4.227 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.482 3.403 -4.420 1.00 0.00 C ATOM 1628 C LEU B 45 -10.749 4.261 -4.306 1.00 0.00 C ATOM 1629 O LEU B 45 -10.763 5.274 -3.629 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.880 3.461 -5.841 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.617 4.907 -6.295 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.123 5.758 -5.126 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.554 4.897 -7.394 1.00 0.00 C ATOM 0 H LEU B 45 -9.598 1.357 -5.000 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.772 3.776 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.947 2.898 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.560 2.978 -6.543 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.547 5.335 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.943 6.777 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.877 5.768 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.196 5.337 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.361 5.918 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.634 4.460 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.909 4.305 -8.238 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.825 3.816 -4.923 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.118 4.550 -4.822 1.00 0.00 C ATOM 1647 C ALA B 46 -13.604 4.511 -3.367 1.00 0.00 C ATOM 1648 O ALA B 46 -14.012 5.515 -2.827 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.080 3.782 -5.719 1.00 0.00 C ATOM 0 H ALA B 46 -11.855 2.971 -5.493 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.036 5.595 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.058 4.262 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.700 3.777 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.171 2.757 -5.361 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.523 3.348 -2.725 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.937 3.213 -1.289 1.00 0.00 C ATOM 1657 C GLU B 47 -13.116 4.172 -0.416 1.00 0.00 C ATOM 1658 O GLU B 47 -13.624 4.737 0.531 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.635 1.750 -0.899 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.214 1.448 0.493 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.734 1.671 0.497 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.439 0.856 -0.079 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.166 2.656 1.075 1.00 0.00 O ATOM 0 H GLU B 47 -13.183 2.485 -3.149 1.00 0.00 H new ATOM 0 HA GLU B 47 -14.990 3.457 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.065 1.072 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.558 1.579 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.990 0.419 0.772 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.743 2.090 1.237 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.859 4.365 -0.758 1.00 0.00 N ATOM 1671 CA ALA B 48 -10.972 5.301 0.007 1.00 0.00 C ATOM 1672 C ALA B 48 -11.489 6.739 -0.164 1.00 0.00 C ATOM 1673 O ALA B 48 -11.698 7.444 0.807 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.572 5.131 -0.617 1.00 0.00 C ATOM 0 H ALA B 48 -11.406 3.905 -1.548 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.951 5.092 1.077 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.865 5.786 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.249 4.095 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.611 5.391 -1.675 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.727 7.154 -1.398 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.265 8.534 -1.671 1.00 0.00 C ATOM 1682 C LYS B 49 -13.680 8.684 -1.079 1.00 0.00 C ATOM 1683 O LYS B 49 -13.984 9.665 -0.440 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.301 8.667 -3.203 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.874 8.618 -3.769 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.911 8.782 -5.293 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.519 8.488 -5.879 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.181 9.659 -6.743 1.00 0.00 N ATOM 0 H LYS B 49 -11.569 6.588 -2.232 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.647 9.308 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.899 7.863 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.780 9.605 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.270 9.409 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.402 7.671 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.648 8.104 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.219 9.795 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.781 8.361 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.526 7.565 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.157 9.674 -6.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.689 9.581 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.462 10.538 -6.262 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.537 7.699 -1.275 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.937 7.753 -0.713 1.00 0.00 C ATOM 1704 C LYS B 50 -15.900 7.803 0.825 1.00 0.00 C ATOM 1705 O LYS B 50 -16.647 8.541 1.442 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.615 6.455 -1.172 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.955 6.531 -2.668 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.114 5.114 -3.244 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.300 4.391 -2.579 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.694 3.310 -1.737 1.00 0.00 N ATOM 0 H LYS B 50 -14.325 6.853 -1.804 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.470 8.640 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.957 5.607 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.524 6.287 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.876 7.096 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.168 7.063 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.272 5.169 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.198 4.545 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.887 5.079 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -18.974 3.973 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.450 2.727 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.080 2.713 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.131 3.738 -0.974 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.029 7.018 1.435 1.00 0.00 N ATOM 1725 CA LEU B 51 -14.916 6.997 2.933 1.00 0.00 C ATOM 1726 C LEU B 51 -14.379 8.342 3.467 1.00 0.00 C ATOM 1727 O LEU B 51 -14.804 8.795 4.518 1.00 0.00 O ATOM 1728 CB LEU B 51 -13.980 5.806 3.249 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.961 5.472 4.759 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.329 5.735 5.417 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.610 3.985 4.936 1.00 0.00 C ATOM 0 H LEU B 51 -14.389 6.388 0.952 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.881 6.870 3.424 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.305 4.930 2.688 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -12.969 6.041 2.916 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.220 6.112 5.238 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.276 5.489 6.477 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.592 6.786 5.301 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.088 5.116 4.938 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.594 3.739 5.998 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.358 3.372 4.433 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.629 3.789 4.503 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.480 9.001 2.743 1.00 0.00 N ATOM 1744 CA ASN B 52 -12.958 10.337 3.198 1.00 0.00 C ATOM 1745 C ASN B 52 -14.121 11.354 3.283 1.00 0.00 C ATOM 1746 O ASN B 52 -14.119 12.228 4.127 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.870 10.717 2.144 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.264 11.856 1.167 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.355 11.925 0.656 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.373 12.747 0.855 1.00 0.00 N ATOM 0 H ASN B 52 -13.092 8.666 1.861 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.523 10.323 4.197 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.963 11.011 2.672 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.626 9.829 1.561 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.602 13.486 0.190 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.444 12.708 1.275 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.108 11.222 2.409 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.280 12.154 2.404 1.00 0.00 C ATOM 1759 C ASP B 53 -17.147 11.976 3.663 1.00 0.00 C ATOM 1760 O ASP B 53 -17.734 12.928 4.148 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.092 11.778 1.159 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.107 12.883 0.845 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.726 13.843 0.196 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.247 12.748 1.255 1.00 0.00 O ATOM 0 H ASP B 53 -15.143 10.496 1.694 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.952 13.193 2.394 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.425 11.633 0.309 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.609 10.833 1.323 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.233 10.763 4.181 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.067 10.501 5.405 1.00 0.00 C ATOM 1771 C ALA B 54 -17.517 11.274 6.618 1.00 0.00 C ATOM 1772 O ALA B 54 -18.272 11.712 7.468 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.966 8.990 5.626 1.00 0.00 C ATOM 0 H ALA B 54 -16.758 9.942 3.805 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.099 10.829 5.280 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.549 8.711 6.504 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.354 8.468 4.752 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.923 8.714 5.780 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.215 11.445 6.687 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.582 12.193 7.820 1.00 0.00 C ATOM 1781 C GLN B 55 -15.466 13.690 7.479 1.00 0.00 C ATOM 1782 O GLN B 55 -15.661 14.539 8.331 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.200 11.551 7.956 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.342 10.131 8.514 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.998 9.423 8.397 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.466 8.925 9.369 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.423 9.363 7.231 1.00 0.00 N ATOM 0 H GLN B 55 -15.556 11.091 5.994 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.159 12.138 8.743 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.705 11.523 6.985 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.573 12.150 8.616 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.662 10.165 9.555 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.107 9.583 7.963 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.874 9.783 6.418 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.522 8.896 7.130 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.135 14.008 6.237 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.981 15.438 5.813 1.00 0.00 C ATOM 1798 C ALA B 56 -15.450 15.626 4.357 1.00 0.00 C ATOM 1799 O ALA B 56 -15.388 14.700 3.583 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.481 15.685 5.909 1.00 0.00 C ATOM 0 H ALA B 56 -14.965 13.326 5.498 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.571 16.121 6.424 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.262 16.712 5.617 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.150 15.521 6.935 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.956 14.999 5.244 1.00 0.00 H new