USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ -162:sc= 0.921 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.876 K(o=1.9,f=-5.8) USER MOD Set 1.3: A 111 ASN : amide:sc= 0.0799 K(o=1.9,f=-0.66!) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.203 K(o=-0.2,f=-4.9!) USER MOD Set 2.2: A 62 THR OG1 : rot -160:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 8 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.72) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0909) USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.799 USER MOD Single : A 36 MET CE :methyl -160:sc= -0.12 (180deg=-0.48) USER MOD Single : A 38 SER OG : rot 83:sc= 0.0861 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -179:sc= -0.0142 (180deg=-0.017) USER MOD Single : A 53 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 157:sc= 0 (180deg=-0.0225) USER MOD Single : A 72 MET CE :methyl -130:sc= -0.0841 (180deg=-0.618) USER MOD Single : A 97 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -65:sc= 1.08 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -57:sc= 0.963 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -103:sc= 0.895 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.9!) USER MOD Single : A 137 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.26) USER MOD Single : A 138 TYR OH : rot 30:sc=-0.000884 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 144 MET CE :methyl -135:sc= -0.33 (180deg=-2.11) USER MOD Single : A 145 MET CE :methyl 180:sc= -0.183 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.247 17.912 0.726 1.00 0.00 N ATOM 59 CA THR A 5 -15.032 18.910 0.069 1.00 0.00 C ATOM 60 C THR A 5 -16.386 18.407 -0.299 1.00 0.00 C ATOM 61 O THR A 5 -16.533 17.198 -0.469 1.00 0.00 O ATOM 62 CB THR A 5 -14.436 19.586 -1.130 1.00 0.00 C ATOM 63 OG1 THR A 5 -14.395 18.897 -2.371 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.980 19.920 -0.766 1.00 0.00 C ATOM 0 HA THR A 5 -15.082 19.679 0.840 1.00 0.00 H new ATOM 0 HB THR A 5 -15.109 20.422 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.981 19.470 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.499 20.416 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.964 20.581 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.444 19.001 -0.531 1.00 0.00 H new ATOM 72 N GLU A 6 -17.430 19.241 -0.452 1.00 0.00 N ATOM 73 CA GLU A 6 -18.701 18.675 -0.784 1.00 0.00 C ATOM 74 C GLU A 6 -18.781 18.007 -2.114 1.00 0.00 C ATOM 75 O GLU A 6 -19.572 17.096 -2.355 1.00 0.00 O ATOM 76 CB GLU A 6 -19.830 19.696 -0.569 1.00 0.00 C ATOM 77 CG GLU A 6 -19.930 20.071 0.911 1.00 0.00 C ATOM 78 CD GLU A 6 -20.991 21.117 1.223 1.00 0.00 C ATOM 79 OE1 GLU A 6 -22.191 20.931 0.889 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.627 22.251 1.635 1.00 0.00 O ATOM 0 H GLU A 6 -17.403 20.256 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.836 17.851 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.641 20.588 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.777 19.279 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.143 19.171 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.961 20.442 1.246 1.00 0.00 H new ATOM 87 N GLU A 7 -17.828 18.283 -3.021 1.00 0.00 N ATOM 88 CA GLU A 7 -17.576 17.733 -4.317 1.00 0.00 C ATOM 89 C GLU A 7 -16.925 16.401 -4.167 1.00 0.00 C ATOM 90 O GLU A 7 -17.286 15.435 -4.837 1.00 0.00 O ATOM 91 CB GLU A 7 -16.582 18.577 -5.133 1.00 0.00 C ATOM 92 CG GLU A 7 -16.333 18.094 -6.563 1.00 0.00 C ATOM 93 CD GLU A 7 -15.112 18.788 -7.148 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.175 19.977 -7.562 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.035 18.136 -7.190 1.00 0.00 O ATOM 0 H GLU A 7 -17.134 18.999 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.540 17.691 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.949 19.603 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.629 18.599 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.184 17.014 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.207 18.299 -7.181 1.00 0.00 H new ATOM 102 N GLN A 8 -15.947 16.216 -3.262 1.00 0.00 N ATOM 103 CA GLN A 8 -15.488 14.878 -3.050 1.00 0.00 C ATOM 104 C GLN A 8 -16.548 13.982 -2.509 1.00 0.00 C ATOM 105 O GLN A 8 -16.692 12.825 -2.903 1.00 0.00 O ATOM 106 CB GLN A 8 -14.295 14.859 -2.080 1.00 0.00 C ATOM 107 CG GLN A 8 -13.135 15.683 -2.642 1.00 0.00 C ATOM 108 CD GLN A 8 -11.992 15.867 -1.653 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.956 16.685 -0.735 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.866 15.136 -1.871 1.00 0.00 N ATOM 0 H GLN A 8 -15.496 16.943 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.191 14.505 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.599 15.260 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.971 13.832 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.754 15.196 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.507 16.662 -2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.844 14.444 -2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.043 15.280 -1.285 1.00 0.00 H new ATOM 119 N ILE A 9 -17.402 14.496 -1.606 1.00 0.00 N ATOM 120 CA ILE A 9 -18.392 13.670 -0.987 1.00 0.00 C ATOM 121 C ILE A 9 -19.401 13.205 -1.980 1.00 0.00 C ATOM 122 O ILE A 9 -19.760 12.032 -2.066 1.00 0.00 O ATOM 123 CB ILE A 9 -18.929 14.448 0.178 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.815 14.661 1.217 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.169 13.742 0.752 1.00 0.00 C ATOM 126 CD1 ILE A 9 -18.159 15.286 2.568 1.00 0.00 C ATOM 0 H ILE A 9 -17.408 15.471 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.983 12.736 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.254 15.438 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.360 13.690 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.050 15.284 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.554 14.312 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.937 13.672 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.896 12.740 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.256 15.361 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.576 16.281 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.890 14.662 3.082 1.00 0.00 H new ATOM 138 N ALA A 10 -19.855 14.113 -2.862 1.00 0.00 N ATOM 139 CA ALA A 10 -20.595 13.669 -4.003 1.00 0.00 C ATOM 140 C ALA A 10 -19.978 12.708 -4.960 1.00 0.00 C ATOM 141 O ALA A 10 -20.646 11.781 -5.415 1.00 0.00 O ATOM 142 CB ALA A 10 -21.129 14.898 -4.758 1.00 0.00 C ATOM 0 H ALA A 10 -19.717 15.121 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.373 13.050 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.695 14.571 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.778 15.476 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.293 15.519 -5.080 1.00 0.00 H new ATOM 148 N GLU A 11 -18.678 12.851 -5.275 1.00 0.00 N ATOM 149 CA GLU A 11 -17.958 11.951 -6.123 1.00 0.00 C ATOM 150 C GLU A 11 -17.615 10.653 -5.477 1.00 0.00 C ATOM 151 O GLU A 11 -17.459 9.662 -6.188 1.00 0.00 O ATOM 152 CB GLU A 11 -16.617 12.473 -6.665 1.00 0.00 C ATOM 153 CG GLU A 11 -16.914 13.509 -7.752 1.00 0.00 C ATOM 154 CD GLU A 11 -15.737 14.152 -8.469 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.633 13.837 -7.950 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.870 14.820 -9.529 1.00 0.00 O ATOM 0 H GLU A 11 -18.107 13.621 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.678 11.834 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.031 12.921 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.026 11.653 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.543 13.032 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.505 14.306 -7.301 1.00 0.00 H new ATOM 163 N PHE A 12 -17.485 10.594 -4.139 1.00 0.00 N ATOM 164 CA PHE A 12 -17.424 9.366 -3.409 1.00 0.00 C ATOM 165 C PHE A 12 -18.775 8.741 -3.350 1.00 0.00 C ATOM 166 O PHE A 12 -18.805 7.514 -3.266 1.00 0.00 O ATOM 167 CB PHE A 12 -16.926 9.535 -1.963 1.00 0.00 C ATOM 168 CG PHE A 12 -15.457 9.621 -1.728 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.554 8.777 -2.330 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.929 10.629 -0.956 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.197 8.998 -2.335 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.567 10.753 -0.808 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.683 9.932 -1.468 1.00 0.00 C ATOM 0 H PHE A 12 -17.421 11.423 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.710 8.740 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.381 10.439 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.308 8.697 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.930 7.894 -2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.588 11.328 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.550 8.450 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.180 11.519 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.618 10.019 -1.310 1.00 0.00 H new ATOM 183 N LYS A 13 -19.915 9.455 -3.324 1.00 0.00 N ATOM 184 CA LYS A 13 -21.234 8.915 -3.432 1.00 0.00 C ATOM 185 C LYS A 13 -21.471 8.239 -4.739 1.00 0.00 C ATOM 186 O LYS A 13 -22.088 7.182 -4.859 1.00 0.00 O ATOM 187 CB LYS A 13 -22.265 9.989 -3.046 1.00 0.00 C ATOM 188 CG LYS A 13 -23.659 9.384 -2.871 1.00 0.00 C ATOM 189 CD LYS A 13 -24.659 10.371 -2.264 1.00 0.00 C ATOM 190 CE LYS A 13 -25.920 9.582 -1.906 1.00 0.00 C ATOM 191 NZ LYS A 13 -26.901 10.511 -1.300 1.00 0.00 N ATOM 0 H LYS A 13 -19.914 10.470 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.356 8.103 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.958 10.474 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.295 10.760 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -24.029 9.048 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.591 8.503 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.239 10.847 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.892 11.166 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -26.341 9.116 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.679 8.779 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -27.765 9.989 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -26.493 10.935 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -27.134 11.262 -1.981 1.00 0.00 H new ATOM 205 N GLU A 14 -21.024 8.812 -5.871 1.00 0.00 N ATOM 206 CA GLU A 14 -20.934 8.273 -7.192 1.00 0.00 C ATOM 207 C GLU A 14 -20.193 6.981 -7.185 1.00 0.00 C ATOM 208 O GLU A 14 -20.661 5.997 -7.755 1.00 0.00 O ATOM 209 CB GLU A 14 -20.293 9.311 -8.129 1.00 0.00 C ATOM 210 CG GLU A 14 -21.206 10.418 -8.660 1.00 0.00 C ATOM 211 CD GLU A 14 -22.254 9.829 -9.593 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.838 9.203 -10.604 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.473 9.925 -9.289 1.00 0.00 O ATOM 0 H GLU A 14 -20.684 9.774 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.934 8.056 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.463 9.780 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.869 8.782 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.693 10.928 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.615 11.165 -9.190 1.00 0.00 H new ATOM 220 N ALA A 15 -18.984 6.992 -6.594 1.00 0.00 N ATOM 221 CA ALA A 15 -18.184 5.816 -6.446 1.00 0.00 C ATOM 222 C ALA A 15 -18.696 4.670 -5.643 1.00 0.00 C ATOM 223 O ALA A 15 -18.508 3.505 -5.990 1.00 0.00 O ATOM 224 CB ALA A 15 -16.805 6.213 -5.893 1.00 0.00 C ATOM 0 H ALA A 15 -18.554 7.834 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.176 5.418 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.189 5.321 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.320 6.902 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.927 6.698 -4.924 1.00 0.00 H new ATOM 230 N PHE A 16 -19.319 5.025 -4.504 1.00 0.00 N ATOM 231 CA PHE A 16 -20.134 4.115 -3.762 1.00 0.00 C ATOM 232 C PHE A 16 -21.093 3.346 -4.603 1.00 0.00 C ATOM 233 O PHE A 16 -21.057 2.117 -4.626 1.00 0.00 O ATOM 234 CB PHE A 16 -20.979 4.889 -2.736 1.00 0.00 C ATOM 235 CG PHE A 16 -21.681 4.099 -1.685 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.837 3.396 -1.928 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.003 3.896 -0.506 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.285 2.500 -0.987 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.455 3.044 0.474 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.585 2.317 0.182 1.00 0.00 C ATOM 0 H PHE A 16 -19.256 5.956 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.437 3.418 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.328 5.607 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.728 5.463 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.386 3.546 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.077 4.428 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.190 1.938 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.949 2.951 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.933 1.581 0.892 1.00 0.00 H new ATOM 250 N SER A 17 -21.980 3.998 -5.376 1.00 0.00 N ATOM 251 CA SER A 17 -23.099 3.575 -6.159 1.00 0.00 C ATOM 252 C SER A 17 -22.683 2.779 -7.348 1.00 0.00 C ATOM 253 O SER A 17 -23.564 2.254 -8.027 1.00 0.00 O ATOM 254 CB SER A 17 -24.071 4.719 -6.492 1.00 0.00 C ATOM 255 OG SER A 17 -24.805 5.047 -5.321 1.00 0.00 O ATOM 0 H SER A 17 -21.885 5.010 -5.460 1.00 0.00 H new ATOM 0 HA SER A 17 -23.676 2.896 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.522 5.590 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.749 4.419 -7.291 1.00 0.00 H new ATOM 0 HG SER A 17 -25.428 5.777 -5.519 1.00 0.00 H new ATOM 261 N LEU A 18 -21.371 2.632 -7.604 1.00 0.00 N ATOM 262 CA LEU A 18 -20.890 1.711 -8.586 1.00 0.00 C ATOM 263 C LEU A 18 -20.648 0.379 -7.963 1.00 0.00 C ATOM 264 O LEU A 18 -20.879 -0.637 -8.617 1.00 0.00 O ATOM 265 CB LEU A 18 -19.541 2.196 -9.145 1.00 0.00 C ATOM 266 CG LEU A 18 -19.575 3.331 -10.182 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.167 3.669 -10.699 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.551 3.086 -11.346 1.00 0.00 C ATOM 0 H LEU A 18 -20.638 3.156 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.638 1.641 -9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.926 2.523 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.036 1.342 -9.596 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.963 4.198 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.232 4.475 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.539 3.984 -9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.731 2.788 -11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.517 3.931 -12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.266 2.176 -11.874 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.563 2.977 -10.956 1.00 0.00 H new ATOM 280 N PHE A 19 -20.240 0.375 -6.681 1.00 0.00 N ATOM 281 CA PHE A 19 -20.185 -0.850 -5.945 1.00 0.00 C ATOM 282 C PHE A 19 -21.480 -1.349 -5.403 1.00 0.00 C ATOM 283 O PHE A 19 -21.775 -2.535 -5.543 1.00 0.00 O ATOM 284 CB PHE A 19 -19.166 -0.806 -4.795 1.00 0.00 C ATOM 285 CG PHE A 19 -17.769 -0.435 -5.156 1.00 0.00 C ATOM 286 CD1 PHE A 19 -16.899 -1.360 -5.684 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.361 0.875 -5.059 1.00 0.00 C ATOM 288 CE1 PHE A 19 -15.635 -0.959 -6.046 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.162 1.314 -5.568 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.266 0.365 -6.002 1.00 0.00 C ATOM 0 H PHE A 19 -19.953 1.204 -6.161 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.871 -1.557 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.525 -0.097 -4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.146 -1.787 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.205 -2.388 -5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.007 1.585 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.918 -1.698 -6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.931 2.368 -5.625 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.273 0.660 -6.308 1.00 0.00 H new ATOM 300 N ASP A 20 -22.361 -0.443 -4.941 1.00 0.00 N ATOM 301 CA ASP A 20 -23.682 -0.847 -4.570 1.00 0.00 C ATOM 302 C ASP A 20 -24.472 -1.232 -5.773 1.00 0.00 C ATOM 303 O ASP A 20 -24.826 -0.434 -6.640 1.00 0.00 O ATOM 304 CB ASP A 20 -24.397 0.344 -3.910 1.00 0.00 C ATOM 305 CG ASP A 20 -25.647 0.004 -3.111 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.106 -1.157 -3.282 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.287 0.925 -2.536 1.00 0.00 O ATOM 0 H ASP A 20 -22.164 0.551 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.606 -1.697 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.691 0.847 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.668 1.058 -4.688 1.00 0.00 H new ATOM 312 N LYS A 21 -24.701 -2.534 -6.019 1.00 0.00 N ATOM 313 CA LYS A 21 -25.223 -3.082 -7.233 1.00 0.00 C ATOM 314 C LYS A 21 -26.667 -2.733 -7.345 1.00 0.00 C ATOM 315 O LYS A 21 -27.170 -2.093 -8.267 1.00 0.00 O ATOM 316 CB LYS A 21 -25.063 -4.607 -7.344 1.00 0.00 C ATOM 317 CG LYS A 21 -25.741 -5.150 -8.604 1.00 0.00 C ATOM 318 CD LYS A 21 -25.007 -4.818 -9.904 1.00 0.00 C ATOM 319 CE LYS A 21 -25.658 -5.603 -11.045 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.006 -5.282 -12.334 1.00 0.00 N ATOM 0 H LYS A 21 -24.508 -3.253 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.642 -2.647 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.004 -4.863 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.493 -5.084 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.830 -6.233 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.753 -4.750 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.057 -3.748 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -23.952 -5.078 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.581 -6.672 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.720 -5.364 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.460 -5.823 -13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.101 -4.265 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.998 -5.532 -12.285 1.00 0.00 H new ATOM 334 N ASP A 22 -27.549 -3.015 -6.369 1.00 0.00 N ATOM 335 CA ASP A 22 -28.965 -2.829 -6.301 1.00 0.00 C ATOM 336 C ASP A 22 -29.285 -1.399 -6.029 1.00 0.00 C ATOM 337 O ASP A 22 -30.046 -0.786 -6.776 1.00 0.00 O ATOM 338 CB ASP A 22 -29.637 -3.846 -5.364 1.00 0.00 C ATOM 339 CG ASP A 22 -29.158 -4.037 -3.932 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.358 -3.199 -3.436 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.659 -4.975 -3.255 1.00 0.00 O ATOM 0 H ASP A 22 -27.212 -3.435 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.407 -3.048 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.693 -3.582 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -29.574 -4.818 -5.853 1.00 0.00 H new ATOM 346 N GLY A 23 -28.793 -0.766 -4.949 1.00 0.00 N ATOM 347 CA GLY A 23 -28.886 0.641 -4.716 1.00 0.00 C ATOM 348 C GLY A 23 -29.658 0.936 -3.476 1.00 0.00 C ATOM 349 O GLY A 23 -30.504 1.829 -3.462 1.00 0.00 O ATOM 0 H GLY A 23 -28.306 -1.261 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.885 1.065 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.366 1.122 -5.568 1.00 0.00 H new ATOM 353 N ASP A 24 -29.346 0.328 -2.318 1.00 0.00 N ATOM 354 CA ASP A 24 -30.002 0.571 -1.071 1.00 0.00 C ATOM 355 C ASP A 24 -29.271 1.591 -0.268 1.00 0.00 C ATOM 356 O ASP A 24 -29.900 2.239 0.567 1.00 0.00 O ATOM 357 CB ASP A 24 -30.160 -0.721 -0.252 1.00 0.00 C ATOM 358 CG ASP A 24 -28.858 -1.260 0.324 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.868 -1.592 -0.380 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.834 -1.330 1.582 1.00 0.00 O ATOM 0 H ASP A 24 -28.601 -0.366 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 24 -30.996 0.953 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.857 -0.536 0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.608 -1.487 -0.885 1.00 0.00 H new ATOM 365 N GLY A 25 -27.961 1.778 -0.508 1.00 0.00 N ATOM 366 CA GLY A 25 -26.998 2.516 0.249 1.00 0.00 C ATOM 367 C GLY A 25 -26.080 1.667 1.060 1.00 0.00 C ATOM 368 O GLY A 25 -25.405 2.320 1.855 1.00 0.00 O ATOM 0 H GLY A 25 -27.529 1.360 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.405 3.125 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.523 3.202 0.914 1.00 0.00 H new ATOM 372 N THR A 26 -26.060 0.337 0.866 1.00 0.00 N ATOM 373 CA THR A 26 -24.949 -0.370 1.424 1.00 0.00 C ATOM 374 C THR A 26 -24.229 -1.195 0.413 1.00 0.00 C ATOM 375 O THR A 26 -24.751 -1.575 -0.633 1.00 0.00 O ATOM 376 CB THR A 26 -25.386 -1.309 2.510 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.352 -2.231 2.027 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.057 -0.570 3.680 1.00 0.00 C ATOM 0 H THR A 26 -26.754 -0.216 0.363 1.00 0.00 H new ATOM 0 HA THR A 26 -24.288 0.404 1.814 1.00 0.00 H new ATOM 0 HB THR A 26 -24.478 -1.812 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.247 -1.839 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.356 -1.290 4.441 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.354 0.143 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.937 -0.038 3.318 1.00 0.00 H new ATOM 386 N ILE A 27 -22.939 -1.471 0.673 1.00 0.00 N ATOM 387 CA ILE A 27 -22.135 -2.310 -0.160 1.00 0.00 C ATOM 388 C ILE A 27 -21.974 -3.599 0.570 1.00 0.00 C ATOM 389 O ILE A 27 -21.339 -3.656 1.622 1.00 0.00 O ATOM 390 CB ILE A 27 -20.770 -1.840 -0.569 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.844 -0.333 -0.863 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.407 -2.598 -1.857 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.458 0.291 -1.023 1.00 0.00 C ATOM 0 H ILE A 27 -22.442 -1.101 1.483 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.674 -2.351 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.028 -2.019 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.422 -0.170 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.375 0.168 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.418 -2.289 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.404 -3.670 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.141 -2.373 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.560 1.356 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.888 0.153 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.936 -0.190 -1.850 1.00 0.00 H new ATOM 405 N THR A 28 -22.619 -4.660 0.053 1.00 0.00 N ATOM 406 CA THR A 28 -22.454 -5.909 0.730 1.00 0.00 C ATOM 407 C THR A 28 -21.245 -6.672 0.311 1.00 0.00 C ATOM 408 O THR A 28 -20.389 -6.262 -0.472 1.00 0.00 O ATOM 409 CB THR A 28 -23.694 -6.746 0.626 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.880 -7.425 -0.608 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.836 -5.733 0.817 1.00 0.00 C ATOM 0 H THR A 28 -23.215 -4.662 -0.775 1.00 0.00 H new ATOM 0 HA THR A 28 -22.288 -5.658 1.778 1.00 0.00 H new ATOM 0 HB THR A 28 -23.644 -7.550 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.712 -7.942 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.794 -6.249 0.758 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.740 -5.257 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.784 -4.974 0.036 1.00 0.00 H new ATOM 419 N THR A 29 -21.105 -7.888 0.869 1.00 0.00 N ATOM 420 CA THR A 29 -20.068 -8.826 0.569 1.00 0.00 C ATOM 421 C THR A 29 -20.222 -9.286 -0.840 1.00 0.00 C ATOM 422 O THR A 29 -19.242 -9.468 -1.561 1.00 0.00 O ATOM 423 CB THR A 29 -19.896 -10.024 1.455 1.00 0.00 C ATOM 424 OG1 THR A 29 -19.785 -9.550 2.789 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.533 -10.678 1.171 1.00 0.00 C ATOM 0 H THR A 29 -21.756 -8.237 1.572 1.00 0.00 H new ATOM 0 HA THR A 29 -19.160 -8.252 0.754 1.00 0.00 H new ATOM 0 HB THR A 29 -20.725 -10.714 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.673 -10.310 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.406 -11.549 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.489 -10.988 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.737 -9.961 1.370 1.00 0.00 H new ATOM 433 N LYS A 30 -21.479 -9.440 -1.292 1.00 0.00 N ATOM 434 CA LYS A 30 -21.757 -9.666 -2.676 1.00 0.00 C ATOM 435 C LYS A 30 -21.222 -8.608 -3.579 1.00 0.00 C ATOM 436 O LYS A 30 -20.566 -8.791 -4.603 1.00 0.00 O ATOM 437 CB LYS A 30 -23.264 -9.778 -2.960 1.00 0.00 C ATOM 438 CG LYS A 30 -23.954 -10.975 -2.302 1.00 0.00 C ATOM 439 CD LYS A 30 -25.316 -11.361 -2.883 1.00 0.00 C ATOM 440 CE LYS A 30 -25.734 -12.682 -2.233 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.197 -12.431 -0.850 1.00 0.00 N ATOM 0 H LYS A 30 -22.306 -9.408 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.251 -10.608 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.752 -8.864 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.413 -9.838 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.291 -11.837 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.081 -10.759 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.053 -10.584 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.255 -11.469 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.529 -13.149 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.894 -13.377 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.652 -13.288 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.384 -12.181 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.881 -11.648 -0.850 1.00 0.00 H new ATOM 455 N GLU A 31 -21.438 -7.342 -3.181 1.00 0.00 N ATOM 456 CA GLU A 31 -21.248 -6.218 -4.045 1.00 0.00 C ATOM 457 C GLU A 31 -19.849 -5.710 -4.111 1.00 0.00 C ATOM 458 O GLU A 31 -19.474 -5.161 -5.146 1.00 0.00 O ATOM 459 CB GLU A 31 -22.249 -5.146 -3.581 1.00 0.00 C ATOM 460 CG GLU A 31 -23.688 -5.642 -3.732 1.00 0.00 C ATOM 461 CD GLU A 31 -24.784 -4.779 -3.122 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.391 -4.119 -2.124 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.955 -4.613 -3.557 1.00 0.00 O ATOM 0 H GLU A 31 -21.750 -7.094 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.434 -6.520 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.056 -4.889 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.110 -4.236 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.898 -5.754 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.752 -6.635 -3.288 1.00 0.00 H new ATOM 470 N LEU A 32 -19.071 -5.917 -3.034 1.00 0.00 N ATOM 471 CA LEU A 32 -17.643 -5.842 -3.030 1.00 0.00 C ATOM 472 C LEU A 32 -16.975 -6.987 -3.711 1.00 0.00 C ATOM 473 O LEU A 32 -16.144 -6.791 -4.596 1.00 0.00 O ATOM 474 CB LEU A 32 -17.169 -5.908 -1.568 1.00 0.00 C ATOM 475 CG LEU A 32 -17.318 -4.663 -0.678 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.630 -5.064 0.638 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.836 -3.329 -1.273 1.00 0.00 C ATOM 0 H LEU A 32 -19.458 -6.149 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.385 -4.921 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.706 -6.724 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.114 -6.182 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.370 -4.414 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.684 -4.235 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.132 -5.934 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.586 -5.307 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.995 -2.529 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.774 -3.399 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.397 -3.112 -2.182 1.00 0.00 H new ATOM 489 N GLY A 33 -17.434 -8.224 -3.453 1.00 0.00 N ATOM 490 CA GLY A 33 -16.753 -9.377 -3.955 1.00 0.00 C ATOM 491 C GLY A 33 -16.962 -9.632 -5.408 1.00 0.00 C ATOM 492 O GLY A 33 -16.016 -9.914 -6.142 1.00 0.00 O ATOM 0 H GLY A 33 -18.269 -8.426 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.685 -9.263 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.083 -10.251 -3.394 1.00 0.00 H new ATOM 496 N THR A 34 -18.194 -9.529 -5.939 1.00 0.00 N ATOM 497 CA THR A 34 -18.488 -9.722 -7.325 1.00 0.00 C ATOM 498 C THR A 34 -17.744 -8.767 -8.193 1.00 0.00 C ATOM 499 O THR A 34 -17.406 -9.079 -9.334 1.00 0.00 O ATOM 500 CB THR A 34 -19.924 -9.516 -7.707 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.725 -10.393 -6.928 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.255 -9.817 -9.178 1.00 0.00 C ATOM 0 H THR A 34 -19.017 -9.302 -5.381 1.00 0.00 H new ATOM 0 HA THR A 34 -18.201 -10.763 -7.475 1.00 0.00 H new ATOM 0 HB THR A 34 -20.122 -8.458 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.846 -10.016 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.315 -9.639 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.664 -9.168 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.020 -10.858 -9.398 1.00 0.00 H new ATOM 510 N VAL A 35 -17.392 -7.543 -7.761 1.00 0.00 N ATOM 511 CA VAL A 35 -16.716 -6.499 -8.466 1.00 0.00 C ATOM 512 C VAL A 35 -15.260 -6.817 -8.457 1.00 0.00 C ATOM 513 O VAL A 35 -14.605 -6.696 -9.491 1.00 0.00 O ATOM 514 CB VAL A 35 -17.089 -5.104 -8.060 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.205 -4.012 -8.685 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.548 -4.956 -8.523 1.00 0.00 C ATOM 0 H VAL A 35 -17.608 -7.256 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.059 -6.481 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.952 -4.968 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.539 -3.033 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.169 -4.167 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.280 -4.061 -9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.911 -3.961 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.603 -5.097 -9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.165 -5.706 -8.027 1.00 0.00 H new ATOM 526 N MET A 36 -14.670 -7.145 -7.294 1.00 0.00 N ATOM 527 CA MET A 36 -13.331 -7.643 -7.354 1.00 0.00 C ATOM 528 C MET A 36 -13.115 -8.825 -8.235 1.00 0.00 C ATOM 529 O MET A 36 -12.012 -8.946 -8.766 1.00 0.00 O ATOM 530 CB MET A 36 -12.927 -8.035 -5.923 1.00 0.00 C ATOM 531 CG MET A 36 -12.836 -6.860 -4.947 1.00 0.00 C ATOM 532 SD MET A 36 -12.296 -5.256 -5.612 1.00 0.00 S ATOM 533 CE MET A 36 -10.598 -5.656 -6.116 1.00 0.00 C ATOM 0 H MET A 36 -15.087 -7.073 -6.366 1.00 0.00 H new ATOM 0 HA MET A 36 -12.728 -6.845 -7.788 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.649 -8.755 -5.539 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.961 -8.539 -5.956 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.818 -6.723 -4.493 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.151 -7.140 -4.146 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.019 -4.737 -6.207 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.139 -6.301 -5.367 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.615 -6.171 -7.077 1.00 0.00 H new ATOM 543 N ARG A 37 -14.058 -9.776 -8.357 1.00 0.00 N ATOM 544 CA ARG A 37 -13.949 -10.862 -9.281 1.00 0.00 C ATOM 545 C ARG A 37 -14.075 -10.369 -10.681 1.00 0.00 C ATOM 546 O ARG A 37 -13.363 -10.886 -11.540 1.00 0.00 O ATOM 547 CB ARG A 37 -14.999 -11.936 -8.948 1.00 0.00 C ATOM 548 CG ARG A 37 -14.745 -12.701 -7.648 1.00 0.00 C ATOM 549 CD ARG A 37 -13.427 -13.477 -7.590 1.00 0.00 C ATOM 550 NE ARG A 37 -13.498 -14.631 -8.530 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.081 -15.850 -8.340 1.00 0.00 C ATOM 552 NH1 ARG A 37 -14.679 -16.217 -7.169 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.193 -16.717 -9.389 1.00 0.00 N ATOM 0 H ARG A 37 -14.914 -9.791 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.964 -11.320 -9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.978 -11.460 -8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.041 -12.650 -9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.767 -11.993 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.566 -13.401 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.595 -12.825 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.243 -13.830 -6.575 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.051 -14.491 -9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.704 -15.567 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.100 -17.142 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.842 -16.452 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.628 -17.629 -9.252 1.00 0.00 H new ATOM 567 N SER A 38 -14.910 -9.383 -11.054 1.00 0.00 N ATOM 568 CA SER A 38 -15.006 -8.876 -12.388 1.00 0.00 C ATOM 569 C SER A 38 -13.813 -8.112 -12.849 1.00 0.00 C ATOM 570 O SER A 38 -13.556 -7.943 -14.040 1.00 0.00 O ATOM 571 CB SER A 38 -16.270 -8.008 -12.503 1.00 0.00 C ATOM 572 OG SER A 38 -17.403 -8.864 -12.491 1.00 0.00 O ATOM 0 H SER A 38 -15.543 -8.921 -10.401 1.00 0.00 H new ATOM 0 HA SER A 38 -15.061 -9.743 -13.046 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.321 -7.300 -11.676 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.246 -7.423 -13.422 1.00 0.00 H new ATOM 0 HG SER A 38 -17.637 -9.085 -11.565 1.00 0.00 H new ATOM 578 N LEU A 39 -13.079 -7.557 -11.868 1.00 0.00 N ATOM 579 CA LEU A 39 -11.835 -6.938 -12.205 1.00 0.00 C ATOM 580 C LEU A 39 -10.795 -7.958 -12.521 1.00 0.00 C ATOM 581 O LEU A 39 -9.943 -7.718 -13.374 1.00 0.00 O ATOM 582 CB LEU A 39 -11.324 -6.085 -11.031 1.00 0.00 C ATOM 583 CG LEU A 39 -12.107 -4.781 -10.804 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.806 -4.109 -9.454 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.822 -3.825 -11.975 1.00 0.00 C ATOM 0 H LEU A 39 -13.332 -7.535 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.013 -6.312 -13.080 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.364 -6.682 -10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.276 -5.840 -11.205 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.167 -5.032 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.394 -3.195 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.066 -4.789 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.745 -3.865 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.371 -2.895 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.754 -3.612 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.139 -4.289 -12.909 1.00 0.00 H new ATOM 597 N GLY A 40 -10.788 -9.123 -11.850 1.00 0.00 N ATOM 598 CA GLY A 40 -9.720 -10.072 -11.916 1.00 0.00 C ATOM 599 C GLY A 40 -9.128 -10.697 -10.700 1.00 0.00 C ATOM 600 O GLY A 40 -8.233 -11.534 -10.807 1.00 0.00 O ATOM 0 H GLY A 40 -11.552 -9.415 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.067 -10.889 -12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.902 -9.584 -12.446 1.00 0.00 H new ATOM 604 N GLN A 41 -9.615 -10.331 -9.501 1.00 0.00 N ATOM 605 CA GLN A 41 -9.054 -10.949 -8.340 1.00 0.00 C ATOM 606 C GLN A 41 -9.528 -12.315 -7.983 1.00 0.00 C ATOM 607 O GLN A 41 -10.424 -12.903 -8.587 1.00 0.00 O ATOM 608 CB GLN A 41 -9.231 -9.971 -7.167 1.00 0.00 C ATOM 609 CG GLN A 41 -8.558 -8.607 -7.336 1.00 0.00 C ATOM 610 CD GLN A 41 -7.092 -8.749 -6.949 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.861 -8.583 -5.753 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.122 -9.096 -7.837 1.00 0.00 N ATOM 0 H GLN A 41 -10.354 -9.648 -9.337 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.008 -11.140 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.298 -9.813 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.840 -10.440 -6.264 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.648 -8.264 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.046 -7.862 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.354 -9.224 -8.822 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.162 -9.228 -7.518 1.00 0.00 H new ATOM 621 N ASN A 42 -8.938 -12.949 -6.954 1.00 0.00 N ATOM 622 CA ASN A 42 -9.485 -14.077 -6.266 1.00 0.00 C ATOM 623 C ASN A 42 -9.598 -13.831 -4.801 1.00 0.00 C ATOM 624 O ASN A 42 -8.734 -14.404 -4.140 1.00 0.00 O ATOM 625 CB ASN A 42 -8.676 -15.375 -6.430 1.00 0.00 C ATOM 626 CG ASN A 42 -8.763 -15.894 -7.858 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.841 -15.800 -8.667 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.834 -16.665 -8.185 1.00 0.00 N ATOM 0 H ASN A 42 -8.033 -12.660 -6.583 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.463 -14.206 -6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.634 -15.194 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.051 -16.131 -5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.859 -17.148 -9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.612 -16.760 -7.532 1.00 0.00 H new ATOM 635 N PRO A 43 -10.515 -13.095 -4.246 1.00 0.00 N ATOM 636 CA PRO A 43 -10.995 -13.169 -2.896 1.00 0.00 C ATOM 637 C PRO A 43 -11.763 -14.401 -2.563 1.00 0.00 C ATOM 638 O PRO A 43 -12.080 -15.233 -3.412 1.00 0.00 O ATOM 639 CB PRO A 43 -11.921 -11.962 -2.758 1.00 0.00 C ATOM 640 CG PRO A 43 -12.425 -11.617 -4.168 1.00 0.00 C ATOM 641 CD PRO A 43 -11.162 -12.001 -4.954 1.00 0.00 C ATOM 0 HA PRO A 43 -10.142 -13.185 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.756 -12.191 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.390 -11.117 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.300 -12.198 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.690 -10.565 -4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.420 -12.302 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.489 -11.148 -5.036 1.00 0.00 H new ATOM 649 N THR A 44 -11.964 -14.568 -1.244 1.00 0.00 N ATOM 650 CA THR A 44 -12.919 -15.523 -0.773 1.00 0.00 C ATOM 651 C THR A 44 -13.805 -14.631 0.026 1.00 0.00 C ATOM 652 O THR A 44 -13.391 -13.538 0.411 1.00 0.00 O ATOM 653 CB THR A 44 -12.459 -16.563 0.206 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.532 -16.133 1.192 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.812 -17.700 -0.602 1.00 0.00 C ATOM 0 H THR A 44 -11.474 -14.051 -0.513 1.00 0.00 H new ATOM 0 HA THR A 44 -13.295 -16.091 -1.624 1.00 0.00 H new ATOM 0 HB THR A 44 -13.346 -16.860 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.302 -16.886 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.464 -18.477 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.546 -18.121 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.967 -17.309 -1.168 1.00 0.00 H new ATOM 663 N GLU A 45 -14.933 -15.222 0.459 1.00 0.00 N ATOM 664 CA GLU A 45 -15.926 -14.485 1.178 1.00 0.00 C ATOM 665 C GLU A 45 -15.496 -14.199 2.576 1.00 0.00 C ATOM 666 O GLU A 45 -15.734 -13.119 3.113 1.00 0.00 O ATOM 667 CB GLU A 45 -17.256 -15.246 1.301 1.00 0.00 C ATOM 668 CG GLU A 45 -18.228 -14.915 0.167 1.00 0.00 C ATOM 669 CD GLU A 45 -17.758 -15.560 -1.129 1.00 0.00 C ATOM 670 OE1 GLU A 45 -17.704 -16.818 -1.161 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.705 -14.895 -2.199 1.00 0.00 O ATOM 0 H GLU A 45 -15.157 -16.206 0.312 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.057 -13.569 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.058 -16.318 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.722 -15.005 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.227 -15.271 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.297 -13.835 0.040 1.00 0.00 H new ATOM 678 N ALA A 46 -14.818 -15.143 3.253 1.00 0.00 N ATOM 679 CA ALA A 46 -14.330 -14.902 4.576 1.00 0.00 C ATOM 680 C ALA A 46 -13.207 -13.934 4.724 1.00 0.00 C ATOM 681 O ALA A 46 -13.160 -13.272 5.760 1.00 0.00 O ATOM 682 CB ALA A 46 -13.915 -16.212 5.265 1.00 0.00 C ATOM 0 H ALA A 46 -14.608 -16.071 2.886 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.191 -14.434 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.549 -15.995 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.776 -16.878 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.126 -16.693 4.687 1.00 0.00 H new ATOM 688 N GLU A 47 -12.329 -13.694 3.734 1.00 0.00 N ATOM 689 CA GLU A 47 -11.385 -12.620 3.745 1.00 0.00 C ATOM 690 C GLU A 47 -12.016 -11.296 3.481 1.00 0.00 C ATOM 691 O GLU A 47 -11.623 -10.295 4.079 1.00 0.00 O ATOM 692 CB GLU A 47 -10.399 -12.904 2.599 1.00 0.00 C ATOM 693 CG GLU A 47 -9.387 -13.986 2.982 1.00 0.00 C ATOM 694 CD GLU A 47 -8.143 -13.550 3.743 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.223 -13.249 4.964 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.007 -13.508 3.200 1.00 0.00 O ATOM 0 H GLU A 47 -12.274 -14.270 2.894 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.917 -12.570 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.951 -13.218 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.871 -11.987 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.905 -14.732 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.064 -14.483 2.067 1.00 0.00 H new ATOM 703 N LEU A 48 -13.046 -11.286 2.616 1.00 0.00 N ATOM 704 CA LEU A 48 -13.780 -10.083 2.372 1.00 0.00 C ATOM 705 C LEU A 48 -14.387 -9.621 3.651 1.00 0.00 C ATOM 706 O LEU A 48 -14.371 -8.448 4.021 1.00 0.00 O ATOM 707 CB LEU A 48 -14.943 -10.332 1.396 1.00 0.00 C ATOM 708 CG LEU A 48 -14.488 -10.454 -0.068 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.553 -10.972 -1.050 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.922 -9.148 -0.651 1.00 0.00 C ATOM 0 H LEU A 48 -13.368 -12.099 2.091 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.091 -9.349 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.463 -11.245 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.661 -9.516 1.480 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.702 -11.204 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.130 -11.020 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.876 -11.967 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.408 -10.296 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.622 -9.311 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.686 -8.371 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.056 -8.834 -0.068 1.00 0.00 H new ATOM 722 N GLN A 49 -15.059 -10.546 4.360 1.00 0.00 N ATOM 723 CA GLN A 49 -15.820 -10.263 5.538 1.00 0.00 C ATOM 724 C GLN A 49 -14.940 -9.771 6.635 1.00 0.00 C ATOM 725 O GLN A 49 -15.360 -8.891 7.385 1.00 0.00 O ATOM 726 CB GLN A 49 -16.657 -11.512 5.859 1.00 0.00 C ATOM 727 CG GLN A 49 -17.563 -11.271 7.068 1.00 0.00 C ATOM 728 CD GLN A 49 -18.492 -12.469 7.198 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.309 -13.518 7.814 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.723 -12.245 6.665 1.00 0.00 N ATOM 0 H GLN A 49 -15.073 -11.533 4.102 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.520 -9.440 5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.263 -11.780 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.996 -12.355 6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.968 -11.149 7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.138 -10.354 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.906 -11.385 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.463 -12.937 6.782 1.00 0.00 H new ATOM 739 N ASP A 50 -13.681 -10.240 6.688 1.00 0.00 N ATOM 740 CA ASP A 50 -12.681 -9.688 7.549 1.00 0.00 C ATOM 741 C ASP A 50 -12.377 -8.260 7.255 1.00 0.00 C ATOM 742 O ASP A 50 -12.303 -7.422 8.152 1.00 0.00 O ATOM 743 CB ASP A 50 -11.442 -10.600 7.554 1.00 0.00 C ATOM 744 CG ASP A 50 -10.611 -10.286 8.790 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.135 -10.377 9.933 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.400 -10.025 8.565 1.00 0.00 O ATOM 0 H ASP A 50 -13.350 -11.020 6.120 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.077 -9.663 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.744 -11.647 7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.852 -10.441 6.651 1.00 0.00 H new ATOM 751 N MET A 51 -12.176 -7.899 5.975 1.00 0.00 N ATOM 752 CA MET A 51 -11.909 -6.562 5.545 1.00 0.00 C ATOM 753 C MET A 51 -12.948 -5.566 5.934 1.00 0.00 C ATOM 754 O MET A 51 -12.691 -4.429 6.326 1.00 0.00 O ATOM 755 CB MET A 51 -11.682 -6.498 4.025 1.00 0.00 C ATOM 756 CG MET A 51 -10.534 -5.556 3.656 1.00 0.00 C ATOM 757 SD MET A 51 -10.468 -5.277 1.861 1.00 0.00 S ATOM 758 CE MET A 51 -10.533 -6.899 1.048 1.00 0.00 C ATOM 0 H MET A 51 -12.201 -8.569 5.206 1.00 0.00 H new ATOM 0 HA MET A 51 -10.997 -6.283 6.073 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.466 -7.498 3.648 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.597 -6.164 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.661 -4.604 4.171 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.589 -5.979 3.996 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.477 -6.767 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.693 -7.508 1.383 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.468 -7.397 1.305 1.00 0.00 H new ATOM 768 N ILE A 52 -14.217 -6.011 5.924 1.00 0.00 N ATOM 769 CA ILE A 52 -15.298 -5.210 6.410 1.00 0.00 C ATOM 770 C ILE A 52 -15.286 -5.046 7.891 1.00 0.00 C ATOM 771 O ILE A 52 -15.307 -3.935 8.419 1.00 0.00 O ATOM 772 CB ILE A 52 -16.639 -5.762 6.026 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.778 -6.313 4.597 1.00 0.00 C ATOM 774 CG2 ILE A 52 -17.662 -4.672 6.391 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.062 -7.054 4.228 1.00 0.00 C ATOM 0 H ILE A 52 -14.496 -6.929 5.578 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.144 -4.240 5.938 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.817 -6.681 6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.666 -5.477 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.941 -6.988 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.665 -5.014 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.610 -4.468 7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.436 -3.761 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.008 -7.380 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.180 -7.923 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.916 -6.388 4.355 1.00 0.00 H new ATOM 787 N ASN A 53 -15.109 -6.120 8.682 1.00 0.00 N ATOM 788 CA ASN A 53 -15.056 -6.161 10.110 1.00 0.00 C ATOM 789 C ASN A 53 -14.096 -5.245 10.788 1.00 0.00 C ATOM 790 O ASN A 53 -14.269 -4.885 11.951 1.00 0.00 O ATOM 791 CB ASN A 53 -14.902 -7.569 10.709 1.00 0.00 C ATOM 792 CG ASN A 53 -16.182 -8.392 10.664 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.282 -7.902 10.412 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.113 -9.728 10.908 1.00 0.00 N ATOM 0 H ASN A 53 -14.992 -7.050 8.279 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.053 -5.777 10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.118 -8.101 10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.573 -7.481 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.960 -10.296 10.879 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.215 -10.162 11.120 1.00 0.00 H new ATOM 801 N GLU A 54 -13.068 -4.804 10.041 1.00 0.00 N ATOM 802 CA GLU A 54 -12.158 -3.788 10.471 1.00 0.00 C ATOM 803 C GLU A 54 -12.581 -2.360 10.506 1.00 0.00 C ATOM 804 O GLU A 54 -12.067 -1.463 11.172 1.00 0.00 O ATOM 805 CB GLU A 54 -10.844 -3.805 9.671 1.00 0.00 C ATOM 806 CG GLU A 54 -10.291 -5.192 9.339 1.00 0.00 C ATOM 807 CD GLU A 54 -8.875 -5.100 8.788 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.285 -3.993 8.904 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.410 -6.112 8.200 1.00 0.00 O ATOM 0 H GLU A 54 -12.864 -5.165 9.109 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.072 -4.098 11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.000 -3.263 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.089 -3.258 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.296 -5.813 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.938 -5.680 8.609 1.00 0.00 H new ATOM 816 N VAL A 55 -13.616 -2.047 9.705 1.00 0.00 N ATOM 817 CA VAL A 55 -14.286 -0.785 9.638 1.00 0.00 C ATOM 818 C VAL A 55 -15.598 -0.632 10.326 1.00 0.00 C ATOM 819 O VAL A 55 -16.057 0.466 10.634 1.00 0.00 O ATOM 820 CB VAL A 55 -14.405 -0.228 8.250 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.955 -0.150 7.744 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.161 -1.213 7.342 1.00 0.00 C ATOM 0 H VAL A 55 -14.013 -2.727 9.057 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.583 -0.202 10.233 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.932 0.726 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.945 0.249 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.376 0.504 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.515 -1.147 7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.240 -0.795 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.620 -2.158 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.160 -1.384 7.743 1.00 0.00 H new ATOM 832 N ASP A 56 -16.231 -1.799 10.548 1.00 0.00 N ATOM 833 CA ASP A 56 -17.527 -2.073 11.086 1.00 0.00 C ATOM 834 C ASP A 56 -17.660 -1.963 12.566 1.00 0.00 C ATOM 835 O ASP A 56 -17.417 -2.944 13.266 1.00 0.00 O ATOM 836 CB ASP A 56 -18.058 -3.417 10.559 1.00 0.00 C ATOM 837 CG ASP A 56 -19.573 -3.568 10.557 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.283 -2.772 9.885 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.068 -4.565 11.146 1.00 0.00 O ATOM 0 H ASP A 56 -15.759 -2.672 10.314 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.156 -1.262 10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.695 -3.557 9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.631 -4.218 11.162 1.00 0.00 H new ATOM 844 N ALA A 57 -18.008 -0.750 13.033 1.00 0.00 N ATOM 845 CA ALA A 57 -18.309 -0.324 14.364 1.00 0.00 C ATOM 846 C ALA A 57 -19.748 -0.653 14.565 1.00 0.00 C ATOM 847 O ALA A 57 -20.129 -1.153 15.622 1.00 0.00 O ATOM 848 CB ALA A 57 -18.043 1.188 14.456 1.00 0.00 C ATOM 0 H ALA A 57 -18.087 0.033 12.385 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.703 -0.807 15.130 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.266 1.536 15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.996 1.388 14.226 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.678 1.713 13.742 1.00 0.00 H new ATOM 854 N ASP A 58 -20.650 -0.384 13.604 1.00 0.00 N ATOM 855 CA ASP A 58 -22.065 -0.340 13.808 1.00 0.00 C ATOM 856 C ASP A 58 -22.754 -1.661 13.858 1.00 0.00 C ATOM 857 O ASP A 58 -23.830 -1.912 14.398 1.00 0.00 O ATOM 858 CB ASP A 58 -22.616 0.558 12.689 1.00 0.00 C ATOM 859 CG ASP A 58 -22.135 0.151 11.303 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.816 -0.673 10.637 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.137 0.607 10.683 1.00 0.00 O ATOM 0 H ASP A 58 -20.380 -0.188 12.640 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.266 0.056 14.804 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.705 0.529 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.321 1.590 12.881 1.00 0.00 H new ATOM 866 N GLY A 59 -22.171 -2.582 13.070 1.00 0.00 N ATOM 867 CA GLY A 59 -22.499 -3.974 13.101 1.00 0.00 C ATOM 868 C GLY A 59 -23.327 -4.573 12.018 1.00 0.00 C ATOM 869 O GLY A 59 -23.706 -5.731 12.192 1.00 0.00 O ATOM 0 H GLY A 59 -21.448 -2.351 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.560 -4.527 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.013 -4.164 14.043 1.00 0.00 H new ATOM 873 N ASN A 60 -23.610 -3.853 10.918 1.00 0.00 N ATOM 874 CA ASN A 60 -24.444 -4.431 9.911 1.00 0.00 C ATOM 875 C ASN A 60 -23.740 -5.415 9.041 1.00 0.00 C ATOM 876 O ASN A 60 -24.282 -6.403 8.548 1.00 0.00 O ATOM 877 CB ASN A 60 -25.193 -3.311 9.170 1.00 0.00 C ATOM 878 CG ASN A 60 -24.262 -2.262 8.580 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.100 -2.528 8.276 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.933 -1.157 8.157 1.00 0.00 N ATOM 0 H ASN A 60 -23.277 -2.908 10.729 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.197 -5.057 10.390 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.791 -3.749 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.886 -2.828 9.859 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.472 -0.483 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.897 -1.002 8.451 1.00 0.00 H new ATOM 887 N GLY A 61 -22.403 -5.267 8.998 1.00 0.00 N ATOM 888 CA GLY A 61 -21.425 -6.069 8.331 1.00 0.00 C ATOM 889 C GLY A 61 -21.445 -5.805 6.865 1.00 0.00 C ATOM 890 O GLY A 61 -20.754 -6.519 6.140 1.00 0.00 O ATOM 0 H GLY A 61 -21.960 -4.492 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.435 -5.853 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.622 -7.124 8.519 1.00 0.00 H new ATOM 894 N THR A 62 -22.176 -4.740 6.491 1.00 0.00 N ATOM 895 CA THR A 62 -22.136 -4.053 5.237 1.00 0.00 C ATOM 896 C THR A 62 -21.448 -2.731 5.264 1.00 0.00 C ATOM 897 O THR A 62 -21.376 -2.168 6.355 1.00 0.00 O ATOM 898 CB THR A 62 -23.470 -3.866 4.576 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.376 -3.007 5.252 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.101 -5.266 4.495 1.00 0.00 C ATOM 0 H THR A 62 -22.857 -4.323 7.126 1.00 0.00 H new ATOM 0 HA THR A 62 -21.541 -4.747 4.644 1.00 0.00 H new ATOM 0 HB THR A 62 -23.292 -3.387 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.289 -3.187 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.080 -5.197 4.021 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.458 -5.921 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.213 -5.673 5.500 1.00 0.00 H new ATOM 908 N ILE A 63 -20.847 -2.339 4.126 1.00 0.00 N ATOM 909 CA ILE A 63 -20.155 -1.087 4.109 1.00 0.00 C ATOM 910 C ILE A 63 -21.138 -0.060 3.663 1.00 0.00 C ATOM 911 O ILE A 63 -21.684 -0.047 2.561 1.00 0.00 O ATOM 912 CB ILE A 63 -18.942 -1.229 3.238 1.00 0.00 C ATOM 913 CG1 ILE A 63 -17.935 -2.121 3.983 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.378 0.190 3.056 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.518 -2.112 3.411 1.00 0.00 C ATOM 0 H ILE A 63 -20.837 -2.863 3.251 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.779 -0.772 5.083 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.160 -1.677 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.892 -1.803 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.306 -3.146 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.489 0.150 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.129 0.822 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.116 0.605 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.882 -2.770 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.540 -2.461 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.119 -1.098 3.442 1.00 0.00 H new ATOM 927 N ASP A 64 -21.424 0.886 4.576 1.00 0.00 N ATOM 928 CA ASP A 64 -22.419 1.902 4.427 1.00 0.00 C ATOM 929 C ASP A 64 -21.654 3.174 4.290 1.00 0.00 C ATOM 930 O ASP A 64 -20.425 3.136 4.320 1.00 0.00 O ATOM 931 CB ASP A 64 -23.383 1.896 5.626 1.00 0.00 C ATOM 932 CG ASP A 64 -22.766 1.882 7.018 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.326 2.987 7.433 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.851 0.832 7.708 1.00 0.00 O ATOM 0 H ASP A 64 -20.933 0.944 5.468 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.059 1.750 3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.022 2.776 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.029 1.023 5.535 1.00 0.00 H new ATOM 939 N PHE A 65 -22.275 4.338 4.030 1.00 0.00 N ATOM 940 CA PHE A 65 -21.686 5.579 3.631 1.00 0.00 C ATOM 941 C PHE A 65 -20.693 6.232 4.530 1.00 0.00 C ATOM 942 O PHE A 65 -19.589 6.369 4.007 1.00 0.00 O ATOM 943 CB PHE A 65 -22.791 6.527 3.137 1.00 0.00 C ATOM 944 CG PHE A 65 -22.130 7.596 2.337 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.874 7.392 1.001 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.753 8.783 2.919 1.00 0.00 C ATOM 947 CE1 PHE A 65 -21.167 8.349 0.312 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.190 9.809 2.198 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.838 9.551 0.894 1.00 0.00 C ATOM 0 H PHE A 65 -23.289 4.415 4.107 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.013 5.307 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.518 5.987 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.334 6.957 3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -22.221 6.499 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.905 8.914 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.864 8.153 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.030 10.782 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.301 10.295 0.325 1.00 0.00 H new ATOM 959 N PRO A 66 -20.884 6.675 5.738 1.00 0.00 N ATOM 960 CA PRO A 66 -19.862 7.364 6.471 1.00 0.00 C ATOM 961 C PRO A 66 -18.709 6.498 6.844 1.00 0.00 C ATOM 962 O PRO A 66 -17.571 6.945 6.977 1.00 0.00 O ATOM 963 CB PRO A 66 -20.635 7.992 7.629 1.00 0.00 C ATOM 964 CG PRO A 66 -21.694 6.932 7.969 1.00 0.00 C ATOM 965 CD PRO A 66 -22.091 6.536 6.538 1.00 0.00 C ATOM 0 HA PRO A 66 -19.342 8.125 5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.986 8.198 8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -21.092 8.938 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.288 6.098 8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.528 7.336 8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.466 5.513 6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.886 7.179 6.161 1.00 0.00 H new ATOM 973 N GLU A 67 -19.010 5.193 6.967 1.00 0.00 N ATOM 974 CA GLU A 67 -18.124 4.073 6.891 1.00 0.00 C ATOM 975 C GLU A 67 -17.296 3.821 5.678 1.00 0.00 C ATOM 976 O GLU A 67 -16.090 3.615 5.809 1.00 0.00 O ATOM 977 CB GLU A 67 -18.814 2.755 7.281 1.00 0.00 C ATOM 978 CG GLU A 67 -17.864 1.703 7.856 1.00 0.00 C ATOM 979 CD GLU A 67 -18.839 0.547 8.029 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.642 0.126 7.154 1.00 0.00 O ATOM 981 OE2 GLU A 67 -18.974 -0.055 9.128 1.00 0.00 O ATOM 0 H GLU A 67 -19.971 4.895 7.137 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.390 4.421 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.592 2.967 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.309 2.342 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.046 1.462 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.414 2.016 8.798 1.00 0.00 H new ATOM 988 N PHE A 68 -17.866 3.885 4.462 1.00 0.00 N ATOM 989 CA PHE A 68 -17.213 3.859 3.191 1.00 0.00 C ATOM 990 C PHE A 68 -16.171 4.921 3.118 1.00 0.00 C ATOM 991 O PHE A 68 -15.112 4.522 2.635 1.00 0.00 O ATOM 992 CB PHE A 68 -18.219 4.118 2.057 1.00 0.00 C ATOM 993 CG PHE A 68 -17.720 4.022 0.656 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.414 2.811 0.081 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.415 5.185 -0.011 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.971 2.848 -1.221 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.896 5.212 -1.284 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.746 4.006 -1.926 1.00 0.00 C ATOM 0 H PHE A 68 -18.878 3.962 4.362 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.762 2.873 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.041 3.412 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.634 5.116 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.516 1.882 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.592 6.125 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.789 1.908 -1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.618 6.141 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.457 3.969 -2.966 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.359 6.222 3.406 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.362 7.233 3.570 1.00 0.00 C ATOM 1010 C LEU A 69 -14.159 6.854 4.363 1.00 0.00 C ATOM 1011 O LEU A 69 -13.044 6.946 3.853 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.895 8.636 3.908 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.177 9.222 3.294 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.736 10.302 4.235 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.036 9.675 1.831 1.00 0.00 C ATOM 0 H LEU A 69 -17.298 6.598 3.536 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.984 7.313 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.032 8.661 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.093 9.335 3.672 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.910 8.419 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.646 10.723 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.963 9.858 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.996 11.092 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.988 10.074 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.270 10.448 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.750 8.824 1.213 1.00 0.00 H new ATOM 1027 N THR A 70 -14.327 6.402 5.619 1.00 0.00 N ATOM 1028 CA THR A 70 -13.353 5.798 6.474 1.00 0.00 C ATOM 1029 C THR A 70 -12.714 4.590 5.880 1.00 0.00 C ATOM 1030 O THR A 70 -11.510 4.409 6.054 1.00 0.00 O ATOM 1031 CB THR A 70 -13.921 5.380 7.798 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.494 6.504 8.448 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.948 4.733 8.798 1.00 0.00 C ATOM 0 H THR A 70 -15.235 6.467 6.078 1.00 0.00 H new ATOM 0 HA THR A 70 -12.610 6.584 6.608 1.00 0.00 H new ATOM 0 HB THR A 70 -14.643 4.608 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.866 6.228 9.312 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.483 4.478 9.713 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.525 3.829 8.361 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.146 5.433 9.030 1.00 0.00 H new ATOM 1041 N MET A 71 -13.433 3.724 5.144 1.00 0.00 N ATOM 1042 CA MET A 71 -13.012 2.530 4.478 1.00 0.00 C ATOM 1043 C MET A 71 -12.047 2.949 3.423 1.00 0.00 C ATOM 1044 O MET A 71 -10.877 2.569 3.410 1.00 0.00 O ATOM 1045 CB MET A 71 -14.069 1.606 3.849 1.00 0.00 C ATOM 1046 CG MET A 71 -13.586 0.400 3.041 1.00 0.00 C ATOM 1047 SD MET A 71 -12.649 -0.744 4.100 1.00 0.00 S ATOM 1048 CE MET A 71 -12.608 -2.139 2.938 1.00 0.00 C ATOM 0 H MET A 71 -14.430 3.884 5.001 1.00 0.00 H new ATOM 0 HA MET A 71 -12.606 1.903 5.271 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.707 1.235 4.651 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.697 2.214 3.197 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.440 -0.117 2.603 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.959 0.736 2.215 1.00 0.00 H new ATOM 0 HE1 MET A 71 -11.768 -2.790 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.538 -2.703 3.014 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.494 -1.763 1.921 1.00 0.00 H new ATOM 1058 N MET A 72 -12.483 3.825 2.501 1.00 0.00 N ATOM 1059 CA MET A 72 -11.713 4.207 1.358 1.00 0.00 C ATOM 1060 C MET A 72 -10.482 4.952 1.746 1.00 0.00 C ATOM 1061 O MET A 72 -9.400 4.780 1.186 1.00 0.00 O ATOM 1062 CB MET A 72 -12.495 5.064 0.349 1.00 0.00 C ATOM 1063 CG MET A 72 -13.493 4.251 -0.478 1.00 0.00 C ATOM 1064 SD MET A 72 -12.688 2.898 -1.388 1.00 0.00 S ATOM 1065 CE MET A 72 -11.932 3.997 -2.621 1.00 0.00 C ATOM 0 H MET A 72 -13.395 4.280 2.551 1.00 0.00 H new ATOM 0 HA MET A 72 -11.450 3.265 0.877 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.029 5.849 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.792 5.557 -0.322 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.258 3.839 0.180 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.000 4.910 -1.183 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.145 3.622 -3.622 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.343 5.001 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 72 -10.853 4.028 -2.468 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.587 5.797 2.788 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.442 6.439 3.354 1.00 0.00 C ATOM 1077 C ALA A 73 -8.467 5.501 3.980 1.00 0.00 C ATOM 1078 O ALA A 73 -7.245 5.637 3.941 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.837 7.549 4.343 1.00 0.00 C ATOM 0 H ALA A 73 -11.470 6.036 3.240 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.929 6.893 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.937 8.011 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.430 8.303 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.424 7.121 5.155 1.00 0.00 H new ATOM 1234 N GLU A 83 1.535 -5.964 -4.870 1.00 0.00 N ATOM 1235 CA GLU A 83 0.910 -6.003 -6.156 1.00 0.00 C ATOM 1236 C GLU A 83 0.403 -4.711 -6.698 1.00 0.00 C ATOM 1237 O GLU A 83 0.563 -4.406 -7.878 1.00 0.00 O ATOM 1238 CB GLU A 83 -0.120 -7.140 -6.262 1.00 0.00 C ATOM 1239 CG GLU A 83 0.139 -8.619 -5.968 1.00 0.00 C ATOM 1240 CD GLU A 83 1.456 -8.938 -6.662 1.00 0.00 C ATOM 1241 OE1 GLU A 83 1.373 -9.137 -7.903 1.00 0.00 O ATOM 1242 OE2 GLU A 83 2.512 -9.133 -6.003 1.00 0.00 O ATOM 0 HA GLU A 83 1.737 -6.227 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.945 -6.851 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.493 -7.104 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.204 -8.802 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.669 -9.244 -6.349 1.00 0.00 H new ATOM 1249 N GLU A 84 -0.148 -3.921 -5.758 1.00 0.00 N ATOM 1250 CA GLU A 84 -0.589 -2.589 -6.035 1.00 0.00 C ATOM 1251 C GLU A 84 0.514 -1.684 -6.463 1.00 0.00 C ATOM 1252 O GLU A 84 0.415 -0.876 -7.386 1.00 0.00 O ATOM 1253 CB GLU A 84 -1.345 -2.003 -4.831 1.00 0.00 C ATOM 1254 CG GLU A 84 -2.768 -2.566 -4.866 1.00 0.00 C ATOM 1255 CD GLU A 84 -3.586 -2.074 -6.052 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -3.679 -0.833 -6.245 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -4.179 -2.890 -6.806 1.00 0.00 O ATOM 0 H GLU A 84 -0.289 -4.212 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.273 -2.659 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.849 -2.272 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.362 -0.914 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.719 -3.655 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.281 -2.294 -3.943 1.00 0.00 H new ATOM 1264 N ILE A 85 1.619 -1.730 -5.698 1.00 0.00 N ATOM 1265 CA ILE A 85 2.712 -0.808 -5.702 1.00 0.00 C ATOM 1266 C ILE A 85 3.539 -1.071 -6.913 1.00 0.00 C ATOM 1267 O ILE A 85 3.792 -0.177 -7.719 1.00 0.00 O ATOM 1268 CB ILE A 85 3.609 -0.700 -4.505 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.754 -1.691 -4.239 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.645 -0.795 -3.311 1.00 0.00 C ATOM 1271 CD1 ILE A 85 5.351 -1.811 -2.837 1.00 0.00 C ATOM 0 H ILE A 85 1.758 -2.478 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 85 2.210 0.159 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 85 4.174 0.215 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.399 -2.681 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.568 -1.435 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.210 -0.726 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.924 0.021 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.117 -1.748 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.145 -2.558 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.761 -0.848 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.574 -2.113 -2.135 1.00 0.00 H new ATOM 1283 N ARG A 86 3.913 -2.341 -7.149 1.00 0.00 N ATOM 1284 CA ARG A 86 4.856 -2.737 -8.148 1.00 0.00 C ATOM 1285 C ARG A 86 4.328 -2.440 -9.510 1.00 0.00 C ATOM 1286 O ARG A 86 4.916 -1.772 -10.359 1.00 0.00 O ATOM 1287 CB ARG A 86 5.172 -4.231 -7.961 1.00 0.00 C ATOM 1288 CG ARG A 86 6.260 -4.727 -8.915 1.00 0.00 C ATOM 1289 CD ARG A 86 6.626 -6.183 -8.619 1.00 0.00 C ATOM 1290 NE ARG A 86 5.535 -6.956 -9.276 1.00 0.00 N ATOM 1291 CZ ARG A 86 4.624 -7.680 -8.562 1.00 0.00 C ATOM 1292 NH1 ARG A 86 4.628 -7.947 -7.223 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.508 -8.031 -9.264 1.00 0.00 N ATOM 0 H ARG A 86 3.540 -3.128 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 86 5.781 -2.171 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.489 -4.405 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.264 -4.813 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.914 -4.637 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.146 -4.099 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.603 -6.442 -9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.666 -6.377 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 86 5.466 -6.944 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.379 -7.587 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.880 -8.506 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.410 -7.751 -10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.771 -8.574 -8.813 1.00 0.00 H new ATOM 1307 N GLU A 87 3.071 -2.883 -9.687 1.00 0.00 N ATOM 1308 CA GLU A 87 2.312 -2.782 -10.894 1.00 0.00 C ATOM 1309 C GLU A 87 1.753 -1.419 -11.117 1.00 0.00 C ATOM 1310 O GLU A 87 1.676 -1.026 -12.280 1.00 0.00 O ATOM 1311 CB GLU A 87 1.269 -3.906 -11.015 1.00 0.00 C ATOM 1312 CG GLU A 87 1.816 -5.315 -10.780 1.00 0.00 C ATOM 1313 CD GLU A 87 2.847 -5.854 -11.762 1.00 0.00 C ATOM 1314 OE1 GLU A 87 2.703 -5.715 -13.006 1.00 0.00 O ATOM 1315 OE2 GLU A 87 3.881 -6.434 -11.336 1.00 0.00 O ATOM 0 H GLU A 87 2.552 -3.341 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 87 3.010 -2.934 -11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.468 -3.718 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.825 -3.865 -12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.258 -5.340 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.971 -6.004 -10.771 1.00 0.00 H new ATOM 1322 N ALA A 88 1.475 -0.650 -10.050 1.00 0.00 N ATOM 1323 CA ALA A 88 1.223 0.739 -10.278 1.00 0.00 C ATOM 1324 C ALA A 88 2.411 1.504 -10.753 1.00 0.00 C ATOM 1325 O ALA A 88 2.317 2.521 -11.437 1.00 0.00 O ATOM 1326 CB ALA A 88 0.570 1.465 -9.090 1.00 0.00 C ATOM 0 H ALA A 88 1.426 -0.965 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 88 0.496 0.721 -11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.413 2.513 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.389 1.000 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.222 1.398 -8.219 1.00 0.00 H new ATOM 1332 N PHE A 89 3.572 1.127 -10.189 1.00 0.00 N ATOM 1333 CA PHE A 89 4.802 1.757 -10.558 1.00 0.00 C ATOM 1334 C PHE A 89 5.035 1.603 -12.022 1.00 0.00 C ATOM 1335 O PHE A 89 5.406 2.547 -12.718 1.00 0.00 O ATOM 1336 CB PHE A 89 6.072 1.301 -9.820 1.00 0.00 C ATOM 1337 CG PHE A 89 7.203 2.248 -10.029 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.935 2.061 -11.178 1.00 0.00 C ATOM 1339 CD2 PHE A 89 7.344 3.413 -9.313 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.979 2.933 -11.381 1.00 0.00 C ATOM 1341 CE2 PHE A 89 8.362 4.309 -9.539 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.166 4.068 -10.628 1.00 0.00 C ATOM 0 H PHE A 89 3.660 0.394 -9.485 1.00 0.00 H new ATOM 0 HA PHE A 89 4.651 2.794 -10.256 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.862 1.215 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.359 0.309 -10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.703 1.274 -11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.624 3.634 -8.539 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.685 2.716 -12.169 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.522 5.160 -8.893 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.944 4.770 -10.892 1.00 0.00 H new ATOM 1352 N ARG A 90 4.821 0.374 -12.523 1.00 0.00 N ATOM 1353 CA ARG A 90 5.021 0.081 -13.909 1.00 0.00 C ATOM 1354 C ARG A 90 4.033 0.666 -14.859 1.00 0.00 C ATOM 1355 O ARG A 90 4.342 0.796 -16.042 1.00 0.00 O ATOM 1356 CB ARG A 90 5.136 -1.447 -14.039 1.00 0.00 C ATOM 1357 CG ARG A 90 5.387 -2.125 -15.387 1.00 0.00 C ATOM 1358 CD ARG A 90 6.740 -1.804 -16.025 1.00 0.00 C ATOM 1359 NE ARG A 90 6.651 -0.546 -16.819 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.216 -0.426 -18.056 1.00 0.00 C ATOM 1361 NH1 ARG A 90 8.010 -1.319 -18.716 1.00 0.00 N ATOM 1362 NH2 ARG A 90 6.917 0.731 -18.716 1.00 0.00 N ATOM 0 H ARG A 90 4.508 -0.421 -11.966 1.00 0.00 H new ATOM 0 HA ARG A 90 5.939 0.580 -14.220 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.941 -1.760 -13.374 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.212 -1.868 -13.642 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.311 -3.204 -15.255 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.597 -1.832 -16.078 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.500 -1.700 -15.250 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.051 -2.627 -16.668 1.00 0.00 H new ATOM 0 HE ARG A 90 6.152 0.252 -16.425 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.247 -2.210 -18.280 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.366 -1.095 -19.645 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.312 1.426 -18.278 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.299 0.900 -19.647 1.00 0.00 H new ATOM 1376 N VAL A 91 2.790 0.795 -14.360 1.00 0.00 N ATOM 1377 CA VAL A 91 1.710 1.557 -14.905 1.00 0.00 C ATOM 1378 C VAL A 91 2.021 3.012 -14.998 1.00 0.00 C ATOM 1379 O VAL A 91 1.932 3.492 -16.127 1.00 0.00 O ATOM 1380 CB VAL A 91 0.410 1.103 -14.310 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.649 2.206 -14.473 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.055 -0.239 -14.972 1.00 0.00 C ATOM 0 H VAL A 91 2.519 0.322 -13.498 1.00 0.00 H new ATOM 0 HA VAL A 91 1.566 1.349 -15.965 1.00 0.00 H new ATOM 0 HB VAL A 91 0.471 0.933 -13.235 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.592 1.872 -14.040 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.315 3.109 -13.963 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.792 2.419 -15.532 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.888 -0.607 -14.567 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.043 -0.099 -16.049 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.844 -0.964 -14.771 1.00 0.00 H new ATOM 1392 N PHE A 92 2.518 3.749 -13.989 1.00 0.00 N ATOM 1393 CA PHE A 92 2.914 5.115 -14.135 1.00 0.00 C ATOM 1394 C PHE A 92 4.232 5.377 -14.778 1.00 0.00 C ATOM 1395 O PHE A 92 4.355 6.334 -15.540 1.00 0.00 O ATOM 1396 CB PHE A 92 2.956 5.835 -12.776 1.00 0.00 C ATOM 1397 CG PHE A 92 1.660 5.760 -12.045 1.00 0.00 C ATOM 1398 CD1 PHE A 92 0.513 5.973 -12.773 1.00 0.00 C ATOM 1399 CD2 PHE A 92 1.579 5.474 -10.703 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -0.724 5.940 -12.175 1.00 0.00 C ATOM 1401 CE2 PHE A 92 0.335 5.589 -10.128 1.00 0.00 C ATOM 1402 CZ PHE A 92 -0.839 5.804 -10.812 1.00 0.00 C ATOM 0 H PHE A 92 2.648 3.385 -13.045 1.00 0.00 H new ATOM 0 HA PHE A 92 2.143 5.493 -14.807 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.741 5.396 -12.161 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.221 6.881 -12.932 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.585 6.170 -13.832 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.445 5.175 -10.131 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.614 6.022 -12.782 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.275 5.504 -9.053 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.793 5.862 -10.309 1.00 0.00 H new ATOM 1412 N ASP A 93 5.226 4.474 -14.697 1.00 0.00 N ATOM 1413 CA ASP A 93 6.336 4.569 -15.593 1.00 0.00 C ATOM 1414 C ASP A 93 6.007 4.064 -16.955 1.00 0.00 C ATOM 1415 O ASP A 93 5.938 2.869 -17.241 1.00 0.00 O ATOM 1416 CB ASP A 93 7.535 3.764 -15.062 1.00 0.00 C ATOM 1417 CG ASP A 93 8.873 4.184 -15.653 1.00 0.00 C ATOM 1418 OD1 ASP A 93 8.972 5.354 -16.110 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.836 3.373 -15.607 1.00 0.00 O ATOM 0 H ASP A 93 5.263 3.701 -14.033 1.00 0.00 H new ATOM 0 HA ASP A 93 6.585 5.628 -15.658 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.579 3.870 -13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.372 2.707 -15.273 1.00 0.00 H new ATOM 1424 N LYS A 94 5.752 4.961 -17.925 1.00 0.00 N ATOM 1425 CA LYS A 94 5.405 4.756 -19.297 1.00 0.00 C ATOM 1426 C LYS A 94 6.424 4.058 -20.130 1.00 0.00 C ATOM 1427 O LYS A 94 6.162 2.961 -20.622 1.00 0.00 O ATOM 1428 CB LYS A 94 4.856 6.041 -19.940 1.00 0.00 C ATOM 1429 CG LYS A 94 4.467 5.976 -21.419 1.00 0.00 C ATOM 1430 CD LYS A 94 3.128 5.292 -21.700 1.00 0.00 C ATOM 1431 CE LYS A 94 2.812 5.078 -23.182 1.00 0.00 C ATOM 1432 NZ LYS A 94 2.272 6.279 -23.858 1.00 0.00 N ATOM 0 H LYS A 94 5.796 5.958 -17.714 1.00 0.00 H new ATOM 0 HA LYS A 94 4.593 4.029 -19.272 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.978 6.353 -19.374 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.606 6.824 -19.823 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.431 6.991 -21.816 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.250 5.448 -21.963 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.119 4.324 -21.198 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.331 5.889 -21.256 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.720 4.761 -23.695 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.092 4.265 -23.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.804 5.998 -24.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.583 6.748 -23.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.049 6.936 -24.071 1.00 0.00 H new ATOM 1446 N ASP A 95 7.558 4.772 -20.245 1.00 0.00 N ATOM 1447 CA ASP A 95 8.757 4.565 -20.997 1.00 0.00 C ATOM 1448 C ASP A 95 9.592 3.411 -20.560 1.00 0.00 C ATOM 1449 O ASP A 95 10.169 2.721 -21.399 1.00 0.00 O ATOM 1450 CB ASP A 95 9.569 5.856 -21.194 1.00 0.00 C ATOM 1451 CG ASP A 95 9.995 6.478 -19.872 1.00 0.00 C ATOM 1452 OD1 ASP A 95 10.294 5.721 -18.910 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.044 7.726 -19.709 1.00 0.00 O ATOM 0 H ASP A 95 7.639 5.641 -19.717 1.00 0.00 H new ATOM 0 HA ASP A 95 8.400 4.266 -21.983 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.454 5.638 -21.792 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.973 6.575 -21.756 1.00 0.00 H new ATOM 1458 N GLY A 96 9.564 3.132 -19.245 1.00 0.00 N ATOM 1459 CA GLY A 96 10.242 2.079 -18.554 1.00 0.00 C ATOM 1460 C GLY A 96 11.671 2.350 -18.231 1.00 0.00 C ATOM 1461 O GLY A 96 12.435 1.389 -18.152 1.00 0.00 O ATOM 0 H GLY A 96 9.011 3.701 -18.604 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.709 1.873 -17.626 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.188 1.175 -19.160 1.00 0.00 H new ATOM 1465 N ASN A 97 12.014 3.623 -17.966 1.00 0.00 N ATOM 1466 CA ASN A 97 13.376 3.945 -17.674 1.00 0.00 C ATOM 1467 C ASN A 97 13.679 3.913 -16.215 1.00 0.00 C ATOM 1468 O ASN A 97 14.821 3.977 -15.763 1.00 0.00 O ATOM 1469 CB ASN A 97 13.924 5.261 -18.252 1.00 0.00 C ATOM 1470 CG ASN A 97 13.243 6.511 -17.712 1.00 0.00 C ATOM 1471 OD1 ASN A 97 12.260 6.494 -16.972 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.922 7.638 -18.054 1.00 0.00 N ATOM 0 H ASN A 97 11.367 4.412 -17.953 1.00 0.00 H new ATOM 0 HA ASN A 97 13.894 3.143 -18.200 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.991 5.322 -18.039 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.816 5.241 -19.336 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.623 8.543 -17.691 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.730 7.578 -18.673 1.00 0.00 H new ATOM 1479 N GLY A 98 12.595 3.754 -15.434 1.00 0.00 N ATOM 1480 CA GLY A 98 12.675 3.533 -14.023 1.00 0.00 C ATOM 1481 C GLY A 98 12.278 4.644 -13.113 1.00 0.00 C ATOM 1482 O GLY A 98 12.303 4.493 -11.892 1.00 0.00 O ATOM 0 H GLY A 98 11.640 3.780 -15.792 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.053 2.670 -13.785 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.703 3.260 -13.786 1.00 0.00 H new ATOM 1486 N TYR A 99 11.991 5.815 -13.709 1.00 0.00 N ATOM 1487 CA TYR A 99 11.773 7.098 -13.117 1.00 0.00 C ATOM 1488 C TYR A 99 10.438 7.653 -13.477 1.00 0.00 C ATOM 1489 O TYR A 99 10.214 7.984 -14.640 1.00 0.00 O ATOM 1490 CB TYR A 99 12.907 8.099 -13.397 1.00 0.00 C ATOM 1491 CG TYR A 99 14.143 7.505 -12.815 1.00 0.00 C ATOM 1492 CD1 TYR A 99 14.474 7.783 -11.510 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.937 6.668 -13.564 1.00 0.00 C ATOM 1494 CE1 TYR A 99 15.666 7.270 -11.055 1.00 0.00 C ATOM 1495 CE2 TYR A 99 16.045 6.070 -13.013 1.00 0.00 C ATOM 1496 CZ TYR A 99 16.478 6.408 -11.753 1.00 0.00 C ATOM 1497 OH TYR A 99 17.753 5.975 -11.330 1.00 0.00 O ATOM 0 H TYR A 99 11.902 5.864 -14.724 1.00 0.00 H new ATOM 0 HA TYR A 99 11.781 6.936 -12.039 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.023 8.266 -14.468 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.691 9.067 -12.945 1.00 0.00 H new ATOM 0 HD1 TYR A 99 13.831 8.374 -10.875 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.687 6.478 -14.597 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.991 7.569 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.583 5.324 -13.578 1.00 0.00 H new ATOM 0 HH TYR A 99 18.130 5.365 -11.998 1.00 0.00 H new ATOM 1507 N ILE A 100 9.431 7.864 -12.610 1.00 0.00 N ATOM 1508 CA ILE A 100 8.295 8.627 -13.027 1.00 0.00 C ATOM 1509 C ILE A 100 8.596 10.085 -13.089 1.00 0.00 C ATOM 1510 O ILE A 100 8.642 10.714 -12.034 1.00 0.00 O ATOM 1511 CB ILE A 100 7.084 8.405 -12.171 1.00 0.00 C ATOM 1512 CG1 ILE A 100 6.706 6.915 -12.123 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.929 9.276 -12.694 1.00 0.00 C ATOM 1514 CD1 ILE A 100 5.895 6.524 -10.889 1.00 0.00 C ATOM 0 H ILE A 100 9.400 7.519 -11.651 1.00 0.00 H new ATOM 0 HA ILE A 100 8.065 8.264 -14.029 1.00 0.00 H new ATOM 0 HB ILE A 100 7.304 8.702 -11.146 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.133 6.666 -13.016 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.617 6.318 -12.152 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.046 9.119 -12.075 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.218 10.326 -12.653 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.704 9.001 -13.724 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.666 5.459 -10.926 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.473 6.740 -9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.966 7.094 -10.869 1.00 0.00 H new ATOM 1526 N SER A 101 8.527 10.671 -14.298 1.00 0.00 N ATOM 1527 CA SER A 101 8.359 12.071 -14.536 1.00 0.00 C ATOM 1528 C SER A 101 6.935 12.454 -14.323 1.00 0.00 C ATOM 1529 O SER A 101 6.036 11.671 -14.626 1.00 0.00 O ATOM 1530 CB SER A 101 9.078 12.458 -15.840 1.00 0.00 C ATOM 1531 OG SER A 101 8.401 11.840 -16.925 1.00 0.00 O ATOM 0 H SER A 101 8.593 10.133 -15.162 1.00 0.00 H new ATOM 0 HA SER A 101 8.861 12.708 -13.808 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.083 13.541 -15.963 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.119 12.136 -15.809 1.00 0.00 H new ATOM 0 HG SER A 101 8.485 10.866 -16.851 1.00 0.00 H new ATOM 1537 N ALA A 102 6.654 13.706 -13.918 1.00 0.00 N ATOM 1538 CA ALA A 102 5.299 14.125 -13.740 1.00 0.00 C ATOM 1539 C ALA A 102 4.341 13.954 -14.868 1.00 0.00 C ATOM 1540 O ALA A 102 3.152 13.669 -14.729 1.00 0.00 O ATOM 1541 CB ALA A 102 5.445 15.582 -13.269 1.00 0.00 C ATOM 0 H ALA A 102 7.355 14.419 -13.716 1.00 0.00 H new ATOM 0 HA ALA A 102 4.806 13.460 -13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.457 16.010 -13.099 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.017 15.609 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.965 16.161 -14.032 1.00 0.00 H new ATOM 1547 N ALA A 103 4.883 14.097 -16.091 1.00 0.00 N ATOM 1548 CA ALA A 103 4.255 13.880 -17.357 1.00 0.00 C ATOM 1549 C ALA A 103 3.745 12.491 -17.536 1.00 0.00 C ATOM 1550 O ALA A 103 2.718 12.382 -18.204 1.00 0.00 O ATOM 1551 CB ALA A 103 5.046 14.316 -18.601 1.00 0.00 C ATOM 0 H ALA A 103 5.853 14.393 -16.201 1.00 0.00 H new ATOM 0 HA ALA A 103 3.410 14.566 -17.296 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.464 14.099 -19.497 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.246 15.386 -18.549 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.990 13.772 -18.641 1.00 0.00 H new ATOM 1557 N GLU A 104 4.326 11.444 -16.925 1.00 0.00 N ATOM 1558 CA GLU A 104 3.766 10.131 -17.016 1.00 0.00 C ATOM 1559 C GLU A 104 2.635 9.951 -16.063 1.00 0.00 C ATOM 1560 O GLU A 104 1.581 9.403 -16.382 1.00 0.00 O ATOM 1561 CB GLU A 104 4.882 9.087 -16.842 1.00 0.00 C ATOM 1562 CG GLU A 104 6.035 9.301 -17.824 1.00 0.00 C ATOM 1563 CD GLU A 104 7.314 8.575 -17.431 1.00 0.00 C ATOM 1564 OE1 GLU A 104 8.179 9.117 -16.694 1.00 0.00 O ATOM 1565 OE2 GLU A 104 7.554 7.419 -17.873 1.00 0.00 O ATOM 0 H GLU A 104 5.180 11.505 -16.370 1.00 0.00 H new ATOM 0 HA GLU A 104 3.332 9.988 -18.006 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.263 9.133 -15.822 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.468 8.089 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.726 8.964 -18.813 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.242 10.368 -17.901 1.00 0.00 H new ATOM 1572 N LEU A 105 2.659 10.544 -14.856 1.00 0.00 N ATOM 1573 CA LEU A 105 1.653 10.609 -13.843 1.00 0.00 C ATOM 1574 C LEU A 105 0.474 11.402 -14.291 1.00 0.00 C ATOM 1575 O LEU A 105 -0.618 10.940 -13.963 1.00 0.00 O ATOM 1576 CB LEU A 105 2.360 10.985 -12.530 1.00 0.00 C ATOM 1577 CG LEU A 105 1.519 10.765 -11.261 1.00 0.00 C ATOM 1578 CD1 LEU A 105 1.286 9.273 -10.968 1.00 0.00 C ATOM 1579 CD2 LEU A 105 2.354 11.320 -10.094 1.00 0.00 C ATOM 0 H LEU A 105 3.497 11.042 -14.556 1.00 0.00 H new ATOM 0 HA LEU A 105 1.167 9.655 -13.640 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.277 10.402 -12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.653 12.034 -12.578 1.00 0.00 H new ATOM 0 HG LEU A 105 0.550 11.247 -11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.688 9.169 -10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.759 8.816 -11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.246 8.776 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.806 11.191 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.300 10.782 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.548 12.380 -10.257 1.00 0.00 H new ATOM 1591 N ARG A 106 0.660 12.350 -15.227 1.00 0.00 N ATOM 1592 CA ARG A 106 -0.424 13.049 -15.844 1.00 0.00 C ATOM 1593 C ARG A 106 -0.973 12.364 -17.048 1.00 0.00 C ATOM 1594 O ARG A 106 -2.179 12.138 -17.131 1.00 0.00 O ATOM 1595 CB ARG A 106 -0.020 14.505 -16.128 1.00 0.00 C ATOM 1596 CG ARG A 106 -1.162 15.509 -16.302 1.00 0.00 C ATOM 1597 CD ARG A 106 -0.537 16.891 -16.505 1.00 0.00 C ATOM 1598 NE ARG A 106 -1.617 17.916 -16.441 1.00 0.00 N ATOM 1599 CZ ARG A 106 -1.511 19.257 -16.212 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -0.300 19.878 -16.108 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -2.681 19.958 -16.160 1.00 0.00 N ATOM 0 H ARG A 106 1.580 12.636 -15.561 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.250 13.051 -15.133 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.615 14.848 -15.311 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.588 14.520 -17.032 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.781 15.240 -17.157 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.810 15.507 -15.426 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.213 17.083 -15.738 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.028 16.938 -17.467 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.564 17.568 -16.588 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.560 19.338 -16.202 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.255 20.882 -15.936 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.571 19.476 -16.289 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.666 20.964 -15.992 1.00 0.00 H new ATOM 1615 N HIS A 107 -0.171 11.870 -18.008 1.00 0.00 N ATOM 1616 CA HIS A 107 -0.571 11.121 -19.159 1.00 0.00 C ATOM 1617 C HIS A 107 -1.366 9.904 -18.830 1.00 0.00 C ATOM 1618 O HIS A 107 -2.488 9.598 -19.231 1.00 0.00 O ATOM 1619 CB HIS A 107 0.702 10.689 -19.905 1.00 0.00 C ATOM 1620 CG HIS A 107 0.391 9.799 -21.072 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -0.464 10.115 -22.108 1.00 0.00 N ATOM 1622 CD2 HIS A 107 0.805 8.516 -21.252 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -0.521 9.006 -22.894 1.00 0.00 C ATOM 1624 NE2 HIS A 107 0.239 8.038 -22.417 1.00 0.00 N ATOM 0 H HIS A 107 0.839 12.006 -17.975 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.213 11.762 -19.763 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.236 11.573 -20.254 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.367 10.167 -19.217 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.953 10.998 -22.254 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.463 7.966 -20.596 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.113 8.928 -23.794 1.00 0.00 H new ATOM 1632 N VAL A 108 -0.865 9.108 -17.869 1.00 0.00 N ATOM 1633 CA VAL A 108 -1.347 7.816 -17.490 1.00 0.00 C ATOM 1634 C VAL A 108 -2.549 7.979 -16.624 1.00 0.00 C ATOM 1635 O VAL A 108 -3.598 7.365 -16.812 1.00 0.00 O ATOM 1636 CB VAL A 108 -0.363 6.886 -16.846 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -0.959 5.512 -16.496 1.00 0.00 C ATOM 1638 CG2 VAL A 108 0.663 6.533 -17.936 1.00 0.00 C ATOM 0 H VAL A 108 -0.058 9.392 -17.313 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.583 7.320 -18.432 1.00 0.00 H new ATOM 0 HB VAL A 108 0.008 7.381 -15.949 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.193 4.890 -16.034 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.789 5.642 -15.801 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.318 5.029 -17.405 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.411 5.854 -17.526 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.155 6.051 -18.772 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.152 7.443 -18.284 1.00 0.00 H new ATOM 1648 N MET A 109 -2.603 8.906 -15.650 1.00 0.00 N ATOM 1649 CA MET A 109 -3.832 9.179 -14.971 1.00 0.00 C ATOM 1650 C MET A 109 -4.983 9.607 -15.814 1.00 0.00 C ATOM 1651 O MET A 109 -6.105 9.215 -15.499 1.00 0.00 O ATOM 1652 CB MET A 109 -3.682 10.059 -13.719 1.00 0.00 C ATOM 1653 CG MET A 109 -2.764 9.387 -12.695 1.00 0.00 C ATOM 1654 SD MET A 109 -3.754 8.168 -11.779 1.00 0.00 S ATOM 1655 CE MET A 109 -4.128 9.278 -10.392 1.00 0.00 C ATOM 0 H MET A 109 -1.806 9.460 -15.336 1.00 0.00 H new ATOM 0 HA MET A 109 -4.107 8.180 -14.633 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.275 11.031 -13.998 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.661 10.239 -13.275 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.926 8.901 -13.194 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.344 10.127 -12.014 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.746 8.754 -9.663 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.199 9.595 -9.919 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.664 10.153 -10.760 1.00 0.00 H new ATOM 1665 N THR A 110 -4.677 10.290 -16.932 1.00 0.00 N ATOM 1666 CA THR A 110 -5.648 10.718 -17.891 1.00 0.00 C ATOM 1667 C THR A 110 -6.114 9.621 -18.786 1.00 0.00 C ATOM 1668 O THR A 110 -7.288 9.511 -19.135 1.00 0.00 O ATOM 1669 CB THR A 110 -5.394 11.957 -18.697 1.00 0.00 C ATOM 1670 OG1 THR A 110 -4.090 12.152 -19.224 1.00 0.00 O ATOM 1671 CG2 THR A 110 -5.547 13.160 -17.751 1.00 0.00 C ATOM 0 H THR A 110 -3.722 10.553 -17.176 1.00 0.00 H new ATOM 0 HA THR A 110 -6.436 11.026 -17.203 1.00 0.00 H new ATOM 0 HB THR A 110 -6.088 11.857 -19.532 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.438 12.147 -18.493 1.00 0.00 H new ATOM 0 HG21 THR A 110 -5.369 14.082 -18.304 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.556 13.173 -17.339 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.825 13.078 -16.939 1.00 0.00 H new ATOM 1679 N ASN A 111 -5.264 8.657 -19.181 1.00 0.00 N ATOM 1680 CA ASN A 111 -5.736 7.526 -19.918 1.00 0.00 C ATOM 1681 C ASN A 111 -6.689 6.665 -19.163 1.00 0.00 C ATOM 1682 O ASN A 111 -7.720 6.220 -19.665 1.00 0.00 O ATOM 1683 CB ASN A 111 -4.687 6.477 -20.326 1.00 0.00 C ATOM 1684 CG ASN A 111 -3.651 7.206 -21.170 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -3.982 8.219 -21.785 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -2.449 6.574 -21.239 1.00 0.00 N ATOM 0 H ASN A 111 -4.261 8.659 -18.993 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.156 8.056 -20.773 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.225 6.029 -19.447 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.148 5.667 -20.892 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.716 6.938 -21.847 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.281 5.736 -20.682 1.00 0.00 H new ATOM 1693 N LEU A 112 -6.396 6.533 -17.857 1.00 0.00 N ATOM 1694 CA LEU A 112 -7.268 5.844 -16.957 1.00 0.00 C ATOM 1695 C LEU A 112 -8.589 6.474 -16.680 1.00 0.00 C ATOM 1696 O LEU A 112 -9.554 5.711 -16.682 1.00 0.00 O ATOM 1697 CB LEU A 112 -6.617 5.723 -15.570 1.00 0.00 C ATOM 1698 CG LEU A 112 -5.359 4.838 -15.542 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -4.863 4.815 -14.086 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -5.669 3.380 -15.921 1.00 0.00 C ATOM 0 H LEU A 112 -5.551 6.905 -17.423 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.435 4.902 -17.480 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.355 6.720 -15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.349 5.318 -14.871 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.635 5.241 -16.250 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.968 4.197 -14.016 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.629 5.830 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.640 4.402 -13.443 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.752 2.792 -15.888 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.390 2.966 -15.216 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.085 3.346 -16.928 1.00 0.00 H new ATOM 1712 N GLY A 113 -8.661 7.805 -16.503 1.00 0.00 N ATOM 1713 CA GLY A 113 -9.927 8.467 -16.559 1.00 0.00 C ATOM 1714 C GLY A 113 -9.976 9.570 -15.558 1.00 0.00 C ATOM 1715 O GLY A 113 -10.940 10.333 -15.591 1.00 0.00 O ATOM 0 H GLY A 113 -7.861 8.412 -16.325 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.093 8.867 -17.560 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.728 7.753 -16.364 1.00 0.00 H new ATOM 1719 N GLU A 114 -8.910 9.765 -14.761 1.00 0.00 N ATOM 1720 CA GLU A 114 -8.795 10.825 -13.807 1.00 0.00 C ATOM 1721 C GLU A 114 -8.451 12.050 -14.582 1.00 0.00 C ATOM 1722 O GLU A 114 -7.652 11.952 -15.511 1.00 0.00 O ATOM 1723 CB GLU A 114 -7.710 10.643 -12.732 1.00 0.00 C ATOM 1724 CG GLU A 114 -7.981 9.467 -11.791 1.00 0.00 C ATOM 1725 CD GLU A 114 -9.092 9.729 -10.785 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -8.857 10.401 -9.746 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -10.220 9.261 -11.099 1.00 0.00 O ATOM 0 H GLU A 114 -8.092 9.157 -14.782 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.741 10.866 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.747 10.494 -13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.633 11.558 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.241 8.591 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.065 9.226 -11.252 1.00 0.00 H new ATOM 1734 N LYS A 115 -9.058 13.209 -14.268 1.00 0.00 N ATOM 1735 CA LYS A 115 -8.747 14.496 -14.808 1.00 0.00 C ATOM 1736 C LYS A 115 -7.717 15.220 -14.010 1.00 0.00 C ATOM 1737 O LYS A 115 -8.033 16.123 -13.237 1.00 0.00 O ATOM 1738 CB LYS A 115 -10.029 15.338 -14.920 1.00 0.00 C ATOM 1739 CG LYS A 115 -9.939 16.408 -16.009 1.00 0.00 C ATOM 1740 CD LYS A 115 -11.183 17.290 -15.887 1.00 0.00 C ATOM 1741 CE LYS A 115 -11.373 18.348 -16.976 1.00 0.00 C ATOM 1742 NZ LYS A 115 -12.566 19.153 -16.633 1.00 0.00 N ATOM 0 H LYS A 115 -9.819 13.248 -13.590 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.322 14.339 -15.799 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -10.873 14.681 -15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.229 15.817 -13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -9.033 17.003 -15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.890 15.948 -16.996 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -12.061 16.644 -15.880 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -11.151 17.795 -14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.491 18.985 -17.045 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -11.501 17.874 -17.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.715 19.880 -17.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.401 18.534 -16.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -12.422 19.611 -15.710 1.00 0.00 H new ATOM 1756 N LEU A 116 -6.433 14.858 -14.179 1.00 0.00 N ATOM 1757 CA LEU A 116 -5.364 15.196 -13.291 1.00 0.00 C ATOM 1758 C LEU A 116 -4.846 16.568 -13.557 1.00 0.00 C ATOM 1759 O LEU A 116 -4.493 16.864 -14.698 1.00 0.00 O ATOM 1760 CB LEU A 116 -4.203 14.188 -13.277 1.00 0.00 C ATOM 1761 CG LEU A 116 -3.343 14.290 -12.006 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -4.115 13.746 -10.792 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -2.141 13.360 -12.238 1.00 0.00 C ATOM 0 H LEU A 116 -6.125 14.301 -14.976 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.811 15.160 -12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.604 13.178 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.573 14.353 -14.151 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.061 15.326 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.493 13.825 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.027 14.326 -10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.373 12.701 -10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.487 13.387 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.494 12.341 -12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.588 13.692 -13.117 1.00 0.00 H new ATOM 1775 N THR A 117 -4.872 17.481 -12.570 1.00 0.00 N ATOM 1776 CA THR A 117 -4.452 18.837 -12.741 1.00 0.00 C ATOM 1777 C THR A 117 -2.985 19.027 -12.563 1.00 0.00 C ATOM 1778 O THR A 117 -2.256 18.106 -12.199 1.00 0.00 O ATOM 1779 CB THR A 117 -5.169 19.778 -11.818 1.00 0.00 C ATOM 1780 OG1 THR A 117 -5.014 19.426 -10.452 1.00 0.00 O ATOM 1781 CG2 THR A 117 -6.642 19.714 -12.255 1.00 0.00 C ATOM 0 H THR A 117 -5.195 17.270 -11.626 1.00 0.00 H new ATOM 0 HA THR A 117 -4.710 19.071 -13.774 1.00 0.00 H new ATOM 0 HB THR A 117 -4.761 20.786 -11.888 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.835 18.999 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.237 20.377 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.727 20.027 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 117 -7.008 18.692 -12.153 1.00 0.00 H new ATOM 1789 N ASP A 118 -2.393 20.232 -12.651 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.032 20.604 -12.418 1.00 0.00 C ATOM 1791 C ASP A 118 -0.647 20.418 -10.991 1.00 0.00 C ATOM 1792 O ASP A 118 0.348 19.804 -10.609 1.00 0.00 O ATOM 1793 CB ASP A 118 -0.818 22.087 -12.765 1.00 0.00 C ATOM 1794 CG ASP A 118 -1.088 22.323 -14.245 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -2.292 22.489 -14.576 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -0.151 22.417 -15.082 1.00 0.00 O ATOM 0 H ASP A 118 -2.944 21.047 -12.921 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.418 19.962 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.481 22.709 -12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.203 22.382 -12.522 1.00 0.00 H new ATOM 1801 N GLU A 119 -1.425 21.100 -10.132 1.00 0.00 N ATOM 1802 CA GLU A 119 -1.247 21.077 -8.713 1.00 0.00 C ATOM 1803 C GLU A 119 -1.383 19.727 -8.098 1.00 0.00 C ATOM 1804 O GLU A 119 -0.592 19.407 -7.212 1.00 0.00 O ATOM 1805 CB GLU A 119 -2.090 22.169 -8.034 1.00 0.00 C ATOM 1806 CG GLU A 119 -3.581 21.831 -8.095 1.00 0.00 C ATOM 1807 CD GLU A 119 -4.420 22.775 -7.245 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -4.451 23.991 -7.575 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -5.070 22.211 -6.325 1.00 0.00 O ATOM 0 H GLU A 119 -2.203 21.686 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.202 21.323 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.781 22.278 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.911 23.127 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.920 21.878 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -3.734 20.807 -7.756 1.00 0.00 H new ATOM 1816 N GLU A 120 -2.264 18.874 -8.652 1.00 0.00 N ATOM 1817 CA GLU A 120 -2.472 17.533 -8.201 1.00 0.00 C ATOM 1818 C GLU A 120 -1.280 16.659 -8.387 1.00 0.00 C ATOM 1819 O GLU A 120 -0.743 16.043 -7.468 1.00 0.00 O ATOM 1820 CB GLU A 120 -3.696 16.892 -8.876 1.00 0.00 C ATOM 1821 CG GLU A 120 -4.945 17.391 -8.145 1.00 0.00 C ATOM 1822 CD GLU A 120 -6.330 17.119 -8.715 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -6.675 17.555 -9.845 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -7.184 16.544 -7.988 1.00 0.00 O ATOM 0 H GLU A 120 -2.854 19.128 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.654 17.613 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.737 17.163 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.634 15.805 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.921 16.969 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.846 18.471 -8.039 1.00 0.00 H new ATOM 1831 N VAL A 121 -0.780 16.676 -9.636 1.00 0.00 N ATOM 1832 CA VAL A 121 0.386 15.888 -9.889 1.00 0.00 C ATOM 1833 C VAL A 121 1.619 16.389 -9.219 1.00 0.00 C ATOM 1834 O VAL A 121 2.527 15.637 -8.869 1.00 0.00 O ATOM 1835 CB VAL A 121 0.544 15.676 -11.366 1.00 0.00 C ATOM 1836 CG1 VAL A 121 1.121 16.832 -12.200 1.00 0.00 C ATOM 1837 CG2 VAL A 121 1.378 14.445 -11.758 1.00 0.00 C ATOM 0 H VAL A 121 -1.154 17.200 -10.427 1.00 0.00 H new ATOM 0 HA VAL A 121 0.233 14.915 -9.422 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.512 15.556 -11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.176 16.533 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.476 17.706 -12.106 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.120 17.077 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.436 14.376 -12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.383 14.540 -11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.907 13.545 -11.362 1.00 0.00 H new ATOM 1847 N ASP A 122 1.773 17.717 -9.075 1.00 0.00 N ATOM 1848 CA ASP A 122 2.747 18.311 -8.213 1.00 0.00 C ATOM 1849 C ASP A 122 2.718 17.885 -6.786 1.00 0.00 C ATOM 1850 O ASP A 122 3.719 17.569 -6.144 1.00 0.00 O ATOM 1851 CB ASP A 122 2.668 19.845 -8.284 1.00 0.00 C ATOM 1852 CG ASP A 122 3.973 20.587 -8.029 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.809 20.687 -8.965 1.00 0.00 O ATOM 1854 OD2 ASP A 122 4.209 20.943 -6.843 1.00 0.00 O ATOM 0 H ASP A 122 1.202 18.399 -9.574 1.00 0.00 H new ATOM 0 HA ASP A 122 3.694 17.938 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.299 20.126 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.930 20.186 -7.558 1.00 0.00 H new ATOM 1859 N GLU A 123 1.535 17.781 -6.156 1.00 0.00 N ATOM 1860 CA GLU A 123 1.349 17.180 -4.872 1.00 0.00 C ATOM 1861 C GLU A 123 1.870 15.791 -4.737 1.00 0.00 C ATOM 1862 O GLU A 123 2.701 15.565 -3.859 1.00 0.00 O ATOM 1863 CB GLU A 123 -0.137 17.286 -4.490 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.512 16.824 -3.080 1.00 0.00 C ATOM 1865 CD GLU A 123 0.043 17.811 -2.063 1.00 0.00 C ATOM 1866 OE1 GLU A 123 0.271 18.999 -2.415 1.00 0.00 O ATOM 1867 OE2 GLU A 123 0.205 17.408 -0.880 1.00 0.00 O ATOM 0 H GLU A 123 0.667 18.132 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 123 1.963 17.740 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.445 18.325 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.716 16.703 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.596 16.755 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.112 15.828 -2.893 1.00 0.00 H new ATOM 1874 N MET A 124 1.524 14.925 -5.706 1.00 0.00 N ATOM 1875 CA MET A 124 1.971 13.568 -5.774 1.00 0.00 C ATOM 1876 C MET A 124 3.450 13.522 -5.948 1.00 0.00 C ATOM 1877 O MET A 124 4.165 12.807 -5.247 1.00 0.00 O ATOM 1878 CB MET A 124 1.152 12.810 -6.832 1.00 0.00 C ATOM 1879 CG MET A 124 -0.336 12.815 -6.475 1.00 0.00 C ATOM 1880 SD MET A 124 -1.315 12.132 -7.847 1.00 0.00 S ATOM 1881 CE MET A 124 -2.983 12.182 -7.130 1.00 0.00 C ATOM 0 H MET A 124 0.906 15.182 -6.476 1.00 0.00 H new ATOM 0 HA MET A 124 1.788 13.042 -4.837 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.297 13.270 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.509 11.783 -6.907 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.503 12.227 -5.572 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.662 13.832 -6.258 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.701 11.794 -7.852 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.010 11.571 -6.228 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.241 13.211 -6.879 1.00 0.00 H new ATOM 1891 N ILE A 125 4.112 14.231 -6.879 1.00 0.00 N ATOM 1892 CA ILE A 125 5.525 14.335 -7.070 1.00 0.00 C ATOM 1893 C ILE A 125 6.253 14.830 -5.867 1.00 0.00 C ATOM 1894 O ILE A 125 7.312 14.279 -5.570 1.00 0.00 O ATOM 1895 CB ILE A 125 5.950 15.118 -8.277 1.00 0.00 C ATOM 1896 CG1 ILE A 125 6.686 14.328 -9.372 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.630 16.467 -7.987 1.00 0.00 C ATOM 1898 CD1 ILE A 125 5.798 13.241 -9.975 1.00 0.00 C ATOM 0 H ILE A 125 3.603 14.787 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 125 5.812 13.299 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 125 4.978 15.360 -8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.011 15.010 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.584 13.874 -8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.896 16.950 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.945 17.108 -7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.531 16.301 -7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.352 12.704 -10.745 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.495 12.544 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.913 13.698 -10.417 1.00 0.00 H new ATOM 1910 N ARG A 126 5.740 15.789 -5.076 1.00 0.00 N ATOM 1911 CA ARG A 126 6.383 16.369 -3.938 1.00 0.00 C ATOM 1912 C ARG A 126 6.430 15.418 -2.792 1.00 0.00 C ATOM 1913 O ARG A 126 7.447 15.399 -2.100 1.00 0.00 O ATOM 1914 CB ARG A 126 5.772 17.706 -3.487 1.00 0.00 C ATOM 1915 CG ARG A 126 6.547 18.361 -2.342 1.00 0.00 C ATOM 1916 CD ARG A 126 5.829 19.513 -1.637 1.00 0.00 C ATOM 1917 NE ARG A 126 4.824 18.832 -0.774 1.00 0.00 N ATOM 1918 CZ ARG A 126 3.465 18.858 -0.903 1.00 0.00 C ATOM 1919 NH1 ARG A 126 2.826 19.613 -1.844 1.00 0.00 N ATOM 1920 NH2 ARG A 126 2.811 17.823 -0.299 1.00 0.00 N ATOM 0 H ARG A 126 4.815 16.185 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 126 7.398 16.586 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.741 18.390 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.741 17.541 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.784 17.596 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.495 18.731 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 126 6.521 20.114 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.353 20.184 -2.352 1.00 0.00 H new ATOM 0 HE ARG A 126 5.193 18.283 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.367 20.190 -2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.808 19.600 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.340 17.107 0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.794 17.765 -0.347 1.00 0.00 H new ATOM 1934 N GLU A 127 5.370 14.604 -2.636 1.00 0.00 N ATOM 1935 CA GLU A 127 5.386 13.533 -1.689 1.00 0.00 C ATOM 1936 C GLU A 127 5.932 12.260 -2.237 1.00 0.00 C ATOM 1937 O GLU A 127 6.206 11.323 -1.488 1.00 0.00 O ATOM 1938 CB GLU A 127 3.994 13.323 -1.068 1.00 0.00 C ATOM 1939 CG GLU A 127 3.531 14.593 -0.352 1.00 0.00 C ATOM 1940 CD GLU A 127 4.264 15.062 0.897 1.00 0.00 C ATOM 1941 OE1 GLU A 127 4.226 14.437 1.990 1.00 0.00 O ATOM 1942 OE2 GLU A 127 4.758 16.216 0.787 1.00 0.00 O ATOM 0 H GLU A 127 4.502 14.688 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 127 6.076 13.837 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.279 13.055 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.025 12.492 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.567 15.407 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.484 14.452 -0.082 1.00 0.00 H new ATOM 1949 N ALA A 128 6.176 12.035 -3.540 1.00 0.00 N ATOM 1950 CA ALA A 128 6.706 10.772 -3.952 1.00 0.00 C ATOM 1951 C ALA A 128 8.183 10.942 -4.041 1.00 0.00 C ATOM 1952 O ALA A 128 9.002 10.217 -3.478 1.00 0.00 O ATOM 1953 CB ALA A 128 5.963 10.288 -5.209 1.00 0.00 C ATOM 0 H ALA A 128 6.012 12.706 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 128 6.541 9.956 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.367 9.326 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.902 10.180 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.093 11.015 -6.011 1.00 0.00 H new ATOM 1959 N ASP A 129 8.687 11.927 -4.805 1.00 0.00 N ATOM 1960 CA ASP A 129 10.085 12.129 -5.029 1.00 0.00 C ATOM 1961 C ASP A 129 10.752 12.599 -3.783 1.00 0.00 C ATOM 1962 O ASP A 129 10.472 13.677 -3.260 1.00 0.00 O ATOM 1963 CB ASP A 129 10.331 13.130 -6.170 1.00 0.00 C ATOM 1964 CG ASP A 129 11.766 13.542 -6.467 1.00 0.00 C ATOM 1965 OD1 ASP A 129 12.669 12.663 -6.467 1.00 0.00 O ATOM 1966 OD2 ASP A 129 12.026 14.762 -6.648 1.00 0.00 O ATOM 0 H ASP A 129 8.099 12.609 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 129 10.514 11.171 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.911 12.706 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.764 14.034 -5.948 1.00 0.00 H new ATOM 1971 N ILE A 130 11.798 11.853 -3.384 1.00 0.00 N ATOM 1972 CA ILE A 130 12.610 12.215 -2.265 1.00 0.00 C ATOM 1973 C ILE A 130 13.733 13.169 -2.489 1.00 0.00 C ATOM 1974 O ILE A 130 13.840 14.228 -1.874 1.00 0.00 O ATOM 1975 CB ILE A 130 13.148 10.963 -1.638 1.00 0.00 C ATOM 1976 CG1 ILE A 130 11.992 10.139 -1.044 1.00 0.00 C ATOM 1977 CG2 ILE A 130 14.142 11.279 -0.508 1.00 0.00 C ATOM 1978 CD1 ILE A 130 12.444 8.756 -0.580 1.00 0.00 C ATOM 0 H ILE A 130 12.083 10.988 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 130 11.931 12.774 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 130 13.663 10.403 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.559 10.679 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 130 11.205 10.030 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 130 14.511 10.348 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.979 11.850 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 130 13.641 11.863 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.592 8.214 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 130 12.852 8.203 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 130 13.211 8.862 0.187 1.00 0.00 H new ATOM 1990 N ASP A 131 14.664 12.877 -3.415 1.00 0.00 N ATOM 1991 CA ASP A 131 15.903 13.578 -3.551 1.00 0.00 C ATOM 1992 C ASP A 131 15.812 14.747 -4.471 1.00 0.00 C ATOM 1993 O ASP A 131 16.813 15.093 -5.096 1.00 0.00 O ATOM 1994 CB ASP A 131 17.085 12.614 -3.752 1.00 0.00 C ATOM 1995 CG ASP A 131 16.759 11.610 -4.848 1.00 0.00 C ATOM 1996 OD1 ASP A 131 15.724 11.551 -5.565 1.00 0.00 O ATOM 1997 OD2 ASP A 131 17.656 10.727 -4.913 1.00 0.00 O ATOM 0 H ASP A 131 14.550 12.125 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 131 16.134 14.061 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 131 17.981 13.175 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 131 17.300 12.090 -2.820 1.00 0.00 H new ATOM 2002 N GLY A 132 14.661 15.443 -4.433 1.00 0.00 N ATOM 2003 CA GLY A 132 14.427 16.650 -5.163 1.00 0.00 C ATOM 2004 C GLY A 132 14.708 16.951 -6.595 1.00 0.00 C ATOM 2005 O GLY A 132 14.708 18.116 -6.989 1.00 0.00 O ATOM 0 H GLY A 132 13.861 15.152 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.362 16.848 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.961 17.420 -4.606 1.00 0.00 H new ATOM 2009 N ASP A 133 14.963 15.955 -7.461 1.00 0.00 N ATOM 2010 CA ASP A 133 15.161 16.135 -8.866 1.00 0.00 C ATOM 2011 C ASP A 133 13.893 16.261 -9.638 1.00 0.00 C ATOM 2012 O ASP A 133 13.810 16.778 -10.751 1.00 0.00 O ATOM 2013 CB ASP A 133 16.035 15.001 -9.428 1.00 0.00 C ATOM 2014 CG ASP A 133 15.461 13.607 -9.215 1.00 0.00 C ATOM 2015 OD1 ASP A 133 15.580 13.095 -8.070 1.00 0.00 O ATOM 2016 OD2 ASP A 133 15.018 12.997 -10.224 1.00 0.00 O ATOM 0 H ASP A 133 15.034 14.980 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 133 15.677 17.088 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 133 16.179 15.163 -10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.019 15.051 -8.963 1.00 0.00 H new ATOM 2021 N GLY A 134 12.752 15.780 -9.114 1.00 0.00 N ATOM 2022 CA GLY A 134 11.415 15.790 -9.623 1.00 0.00 C ATOM 2023 C GLY A 134 10.914 14.450 -10.037 1.00 0.00 C ATOM 2024 O GLY A 134 9.715 14.184 -10.108 1.00 0.00 O ATOM 0 H GLY A 134 12.777 15.320 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.750 16.195 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 134 11.368 16.464 -10.478 1.00 0.00 H new ATOM 2028 N GLN A 135 11.838 13.540 -10.395 1.00 0.00 N ATOM 2029 CA GLN A 135 11.400 12.272 -10.889 1.00 0.00 C ATOM 2030 C GLN A 135 11.415 11.247 -9.808 1.00 0.00 C ATOM 2031 O GLN A 135 12.376 11.091 -9.057 1.00 0.00 O ATOM 2032 CB GLN A 135 12.270 11.673 -12.007 1.00 0.00 C ATOM 2033 CG GLN A 135 12.274 12.446 -13.328 1.00 0.00 C ATOM 2034 CD GLN A 135 13.000 11.819 -14.510 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.446 11.399 -15.525 1.00 0.00 O ATOM 2036 NE2 GLN A 135 14.359 11.815 -14.538 1.00 0.00 N ATOM 0 H GLN A 135 12.848 13.672 -10.346 1.00 0.00 H new ATOM 0 HA GLN A 135 10.405 12.487 -11.278 1.00 0.00 H new ATOM 0 HB2 GLN A 135 13.296 11.601 -11.646 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.929 10.656 -12.203 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.238 12.615 -13.621 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.716 13.425 -13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 135 14.887 12.149 -13.732 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.851 11.478 -15.365 1.00 0.00 H new ATOM 2045 N VAL A 136 10.380 10.388 -9.824 1.00 0.00 N ATOM 2046 CA VAL A 136 10.081 9.462 -8.776 1.00 0.00 C ATOM 2047 C VAL A 136 10.646 8.119 -9.084 1.00 0.00 C ATOM 2048 O VAL A 136 10.255 7.365 -9.974 1.00 0.00 O ATOM 2049 CB VAL A 136 8.597 9.255 -8.715 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.253 8.510 -7.414 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.868 10.608 -8.775 1.00 0.00 C ATOM 0 H VAL A 136 9.722 10.337 -10.602 1.00 0.00 H new ATOM 0 HA VAL A 136 10.494 9.866 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 136 8.272 8.661 -9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.176 8.354 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.761 7.546 -7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.578 9.102 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.791 10.444 -8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.176 11.225 -7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.119 11.115 -9.707 1.00 0.00 H new ATOM 2061 N ASN A 137 11.681 7.652 -8.362 1.00 0.00 N ATOM 2062 CA ASN A 137 12.124 6.302 -8.524 1.00 0.00 C ATOM 2063 C ASN A 137 11.256 5.345 -7.782 1.00 0.00 C ATOM 2064 O ASN A 137 10.287 5.743 -7.137 1.00 0.00 O ATOM 2065 CB ASN A 137 13.580 6.363 -8.031 1.00 0.00 C ATOM 2066 CG ASN A 137 14.483 5.228 -8.489 1.00 0.00 C ATOM 2067 OD1 ASN A 137 15.478 4.995 -7.804 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.133 4.516 -9.594 1.00 0.00 N ATOM 0 H ASN A 137 12.203 8.198 -7.677 1.00 0.00 H new ATOM 0 HA ASN A 137 12.065 5.928 -9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.016 7.305 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 137 13.574 6.380 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 137 14.711 3.733 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 137 13.293 4.765 -10.116 1.00 0.00 H new ATOM 2075 N TYR A 138 11.607 4.052 -7.894 1.00 0.00 N ATOM 2076 CA TYR A 138 10.843 2.955 -7.386 1.00 0.00 C ATOM 2077 C TYR A 138 10.604 2.988 -5.915 1.00 0.00 C ATOM 2078 O TYR A 138 9.581 2.842 -5.249 1.00 0.00 O ATOM 2079 CB TYR A 138 11.523 1.650 -7.834 1.00 0.00 C ATOM 2080 CG TYR A 138 10.758 0.403 -7.551 1.00 0.00 C ATOM 2081 CD1 TYR A 138 10.757 -0.247 -6.339 1.00 0.00 C ATOM 2082 CD2 TYR A 138 9.964 -0.064 -8.572 1.00 0.00 C ATOM 2083 CE1 TYR A 138 9.955 -1.338 -6.100 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.076 -1.070 -8.272 1.00 0.00 C ATOM 2085 CZ TYR A 138 9.089 -1.759 -7.082 1.00 0.00 C ATOM 2086 OH TYR A 138 8.059 -2.701 -6.874 1.00 0.00 O ATOM 0 H TYR A 138 12.465 3.757 -8.361 1.00 0.00 H new ATOM 0 HA TYR A 138 9.839 3.028 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.710 1.707 -8.906 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.494 1.579 -7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 138 11.405 0.110 -5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 138 10.035 0.343 -9.570 1.00 0.00 H new ATOM 0 HE1 TYR A 138 10.004 -1.857 -5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 138 8.331 -1.332 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 138 7.745 -2.643 -5.948 1.00 0.00 H new ATOM 2096 N GLU A 139 11.748 3.114 -5.219 1.00 0.00 N ATOM 2097 CA GLU A 139 11.767 3.263 -3.797 1.00 0.00 C ATOM 2098 C GLU A 139 11.160 4.449 -3.130 1.00 0.00 C ATOM 2099 O GLU A 139 10.496 4.372 -2.098 1.00 0.00 O ATOM 2100 CB GLU A 139 13.176 3.070 -3.211 1.00 0.00 C ATOM 2101 CG GLU A 139 13.312 3.335 -1.710 1.00 0.00 C ATOM 2102 CD GLU A 139 14.730 3.036 -1.244 1.00 0.00 C ATOM 2103 OE1 GLU A 139 15.690 3.795 -1.545 1.00 0.00 O ATOM 2104 OE2 GLU A 139 14.945 2.021 -0.529 1.00 0.00 O ATOM 0 H GLU A 139 12.673 3.112 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 139 11.066 2.462 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.496 2.047 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.864 3.729 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.063 4.374 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.603 2.716 -1.159 1.00 0.00 H new ATOM 2111 N GLU A 140 11.285 5.606 -3.804 1.00 0.00 N ATOM 2112 CA GLU A 140 10.512 6.777 -3.528 1.00 0.00 C ATOM 2113 C GLU A 140 9.033 6.597 -3.554 1.00 0.00 C ATOM 2114 O GLU A 140 8.374 7.052 -2.620 1.00 0.00 O ATOM 2115 CB GLU A 140 11.074 7.843 -4.484 1.00 0.00 C ATOM 2116 CG GLU A 140 12.600 7.885 -4.578 1.00 0.00 C ATOM 2117 CD GLU A 140 13.038 9.123 -5.348 1.00 0.00 C ATOM 2118 OE1 GLU A 140 12.957 9.217 -6.602 1.00 0.00 O ATOM 2119 OE2 GLU A 140 13.656 10.049 -4.759 1.00 0.00 O ATOM 0 H GLU A 140 11.948 5.731 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 140 10.620 7.085 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 140 10.668 7.667 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 140 10.717 8.822 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.034 7.895 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.967 6.988 -5.076 1.00 0.00 H new ATOM 2126 N PHE A 141 8.584 5.966 -4.654 1.00 0.00 N ATOM 2127 CA PHE A 141 7.223 5.590 -4.880 1.00 0.00 C ATOM 2128 C PHE A 141 6.657 4.721 -3.810 1.00 0.00 C ATOM 2129 O PHE A 141 5.641 4.980 -3.168 1.00 0.00 O ATOM 2130 CB PHE A 141 7.028 5.009 -6.290 1.00 0.00 C ATOM 2131 CG PHE A 141 5.596 4.748 -6.609 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.015 3.518 -6.409 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.868 5.674 -7.318 1.00 0.00 C ATOM 2134 CE1 PHE A 141 3.774 3.238 -6.929 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.603 5.409 -7.786 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.025 4.175 -7.602 1.00 0.00 C ATOM 0 H PHE A 141 9.201 5.705 -5.423 1.00 0.00 H new ATOM 0 HA PHE A 141 6.638 6.508 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.440 5.701 -7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.591 4.080 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.538 2.765 -5.838 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.305 6.642 -7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.371 2.244 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.055 6.181 -8.306 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.033 3.953 -7.967 1.00 0.00 H new ATOM 2146 N VAL A 142 7.359 3.598 -3.573 1.00 0.00 N ATOM 2147 CA VAL A 142 7.028 2.511 -2.705 1.00 0.00 C ATOM 2148 C VAL A 142 7.086 2.934 -1.277 1.00 0.00 C ATOM 2149 O VAL A 142 6.082 2.644 -0.628 1.00 0.00 O ATOM 2150 CB VAL A 142 7.984 1.400 -3.025 1.00 0.00 C ATOM 2151 CG1 VAL A 142 7.903 0.290 -1.963 1.00 0.00 C ATOM 2152 CG2 VAL A 142 7.397 0.785 -4.306 1.00 0.00 C ATOM 0 H VAL A 142 8.252 3.438 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 142 6.005 2.169 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 142 9.009 1.764 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.604 -0.506 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.156 0.702 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 142 6.891 -0.114 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.024 -0.045 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.389 0.422 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.361 1.542 -5.090 1.00 0.00 H new ATOM 2162 N GLN A 143 8.112 3.610 -0.730 1.00 0.00 N ATOM 2163 CA GLN A 143 8.026 4.151 0.591 1.00 0.00 C ATOM 2164 C GLN A 143 7.090 5.299 0.761 1.00 0.00 C ATOM 2165 O GLN A 143 6.724 5.755 1.843 1.00 0.00 O ATOM 2166 CB GLN A 143 9.301 4.711 1.243 1.00 0.00 C ATOM 2167 CG GLN A 143 10.485 3.742 1.230 1.00 0.00 C ATOM 2168 CD GLN A 143 11.579 4.474 1.994 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.530 5.488 2.688 1.00 0.00 O ATOM 2170 NE2 GLN A 143 12.803 3.913 1.799 1.00 0.00 N ATOM 0 H GLN A 143 9.000 3.782 -1.202 1.00 0.00 H new ATOM 0 HA GLN A 143 7.705 3.223 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.589 5.627 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 143 9.079 4.983 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.230 2.796 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.798 3.510 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.893 3.071 1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.630 4.334 2.221 1.00 0.00 H new ATOM 2179 N MET A 144 6.608 5.931 -0.324 1.00 0.00 N ATOM 2180 CA MET A 144 5.450 6.765 -0.420 1.00 0.00 C ATOM 2181 C MET A 144 4.184 6.010 -0.207 1.00 0.00 C ATOM 2182 O MET A 144 3.277 6.480 0.479 1.00 0.00 O ATOM 2183 CB MET A 144 5.405 7.663 -1.668 1.00 0.00 C ATOM 2184 CG MET A 144 4.215 8.608 -1.848 1.00 0.00 C ATOM 2185 SD MET A 144 2.897 7.955 -2.916 1.00 0.00 S ATOM 2186 CE MET A 144 3.672 7.432 -4.473 1.00 0.00 C ATOM 0 H MET A 144 7.080 5.848 -1.225 1.00 0.00 H new ATOM 0 HA MET A 144 5.546 7.464 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 144 6.312 8.268 -1.673 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.449 7.015 -2.544 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.794 8.834 -0.868 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.573 9.549 -2.266 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.073 7.783 -5.313 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.675 7.854 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.734 6.344 -4.501 1.00 0.00 H new ATOM 2196 N MET A 145 3.999 4.823 -0.811 1.00 0.00 N ATOM 2197 CA MET A 145 2.835 4.002 -0.682 1.00 0.00 C ATOM 2198 C MET A 145 2.775 3.341 0.652 1.00 0.00 C ATOM 2199 O MET A 145 1.709 2.957 1.130 1.00 0.00 O ATOM 2200 CB MET A 145 2.673 2.908 -1.751 1.00 0.00 C ATOM 2201 CG MET A 145 2.244 3.615 -3.039 1.00 0.00 C ATOM 2202 SD MET A 145 1.908 2.474 -4.414 1.00 0.00 S ATOM 2203 CE MET A 145 0.200 2.029 -3.986 1.00 0.00 C ATOM 0 H MET A 145 4.703 4.413 -1.425 1.00 0.00 H new ATOM 0 HA MET A 145 2.019 4.712 -0.817 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.609 2.369 -1.898 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.927 2.175 -1.445 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.349 4.205 -2.840 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.026 4.313 -3.339 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.188 1.326 -4.723 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.181 1.568 -2.999 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.419 2.926 -3.979 1.00 0.00 H new