USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1090 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 47 CYS SG : rot -104:sc= 1.21 USER MOD Set 1.2: A 49 THR OG1 : rot -126:sc= 0.982 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.1!) USER MOD Single : A 28 TYR OH : rot 131:sc= -1.8! USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -0.167 (180deg=-1.05) USER MOD Single : A 45 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.54) USER MOD Single : A 48 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.24) USER MOD Single : A 54 HIS : +bothHN:sc= -0.482 K(o=-0.48,f=-6.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.101 USER MOD Single : A 67 HIS : no HD1:sc= -0.754 K(o=-0.75,f=-2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 102 TYR OH : rot 94:sc= -2.63! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -29:sc= -1.04 USER MOD Single : A 127 GLN :FLIP amide:sc= -5.02 F(o=-6.4!,f=-5) USER MOD Single : A 129 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.071) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -62:sc= 1.11 USER MOD Single : A 136 SER OG : rot -32:sc= -0.876 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 10.862 -4.191 5.773 1.00 0.00 N ATOM 19 CA VAL A 2 10.125 -3.589 4.674 1.00 0.00 C ATOM 20 C VAL A 2 10.640 -4.155 3.350 1.00 0.00 C ATOM 21 O VAL A 2 11.840 -4.375 3.189 1.00 0.00 O ATOM 22 CB VAL A 2 10.224 -2.064 4.752 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.413 -1.405 3.633 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.779 -1.555 6.124 1.00 0.00 C ATOM 0 HA VAL A 2 9.066 -3.837 4.743 1.00 0.00 H new ATOM 0 HB VAL A 2 11.270 -1.788 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.500 -0.321 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.795 -1.731 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.366 -1.693 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.859 -0.468 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.744 -1.847 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.416 -1.986 6.896 1.00 0.00 H new ATOM 34 N PRO A 3 9.684 -4.380 2.410 1.00 0.00 N ATOM 35 CA PRO A 3 10.028 -4.916 1.104 1.00 0.00 C ATOM 36 C PRO A 3 10.686 -3.847 0.229 1.00 0.00 C ATOM 37 O PRO A 3 10.756 -2.681 0.614 1.00 0.00 O ATOM 38 CB PRO A 3 8.717 -5.429 0.531 1.00 0.00 C ATOM 39 CG PRO A 3 7.618 -4.747 1.329 1.00 0.00 C ATOM 40 CD PRO A 3 8.253 -4.130 2.565 1.00 0.00 C ATOM 0 HA PRO A 3 10.764 -5.718 1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.635 -5.191 -0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.649 -6.513 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.130 -3.980 0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.850 -5.466 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.042 -3.062 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.868 -4.585 3.477 1.00 0.00 H new ATOM 48 N PRO A 4 11.164 -4.294 -0.963 1.00 0.00 N ATOM 49 CA PRO A 4 11.813 -3.389 -1.897 1.00 0.00 C ATOM 50 C PRO A 4 10.787 -2.500 -2.602 1.00 0.00 C ATOM 51 O PRO A 4 10.862 -1.275 -2.522 1.00 0.00 O ATOM 52 CB PRO A 4 12.575 -4.292 -2.853 1.00 0.00 C ATOM 53 CG PRO A 4 11.955 -5.672 -2.708 1.00 0.00 C ATOM 54 CD PRO A 4 11.098 -5.668 -1.453 1.00 0.00 C ATOM 0 HA PRO A 4 12.490 -2.690 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.492 -3.933 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.637 -4.313 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.350 -5.913 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.731 -6.434 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.071 -5.961 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.478 -6.371 -0.712 1.00 0.00 H new ATOM 62 N LYS A 5 9.853 -3.152 -3.278 1.00 0.00 N ATOM 63 CA LYS A 5 8.813 -2.436 -3.998 1.00 0.00 C ATOM 64 C LYS A 5 8.330 -1.258 -3.149 1.00 0.00 C ATOM 65 O LYS A 5 7.938 -0.222 -3.684 1.00 0.00 O ATOM 66 CB LYS A 5 7.694 -3.392 -4.415 1.00 0.00 C ATOM 67 CG LYS A 5 7.980 -4.005 -5.787 1.00 0.00 C ATOM 68 CD LYS A 5 8.367 -5.480 -5.659 1.00 0.00 C ATOM 69 CE LYS A 5 7.571 -6.343 -6.640 1.00 0.00 C ATOM 70 NZ LYS A 5 7.935 -7.770 -6.487 1.00 0.00 N ATOM 0 H LYS A 5 9.794 -4.168 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 5 9.208 -2.021 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.592 -4.184 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.745 -2.857 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.099 -3.910 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.785 -3.455 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.434 -5.597 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.185 -5.820 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.503 -6.213 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.768 -6.019 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.386 -8.342 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.950 -7.892 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.725 -8.080 -5.517 1.00 0.00 H new ATOM 84 N LEU A 6 8.375 -1.455 -1.840 1.00 0.00 N ATOM 85 CA LEU A 6 7.948 -0.422 -0.912 1.00 0.00 C ATOM 86 C LEU A 6 9.114 0.531 -0.643 1.00 0.00 C ATOM 87 O LEU A 6 9.075 1.694 -1.041 1.00 0.00 O ATOM 88 CB LEU A 6 7.361 -1.049 0.355 1.00 0.00 C ATOM 89 CG LEU A 6 6.433 -0.154 1.178 1.00 0.00 C ATOM 90 CD1 LEU A 6 7.150 0.388 2.417 1.00 0.00 C ATOM 91 CD2 LEU A 6 5.849 0.969 0.318 1.00 0.00 C ATOM 0 H LEU A 6 8.701 -2.315 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 6 7.145 0.172 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.810 -1.946 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.185 -1.369 0.993 1.00 0.00 H new ATOM 0 HG LEU A 6 5.597 -0.760 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.468 1.021 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.477 -0.444 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.017 0.973 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.193 1.590 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.659 1.580 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.279 0.538 -0.505 1.00 0.00 H new ATOM 103 N LYS A 7 10.126 0.002 0.030 1.00 0.00 N ATOM 104 CA LYS A 7 11.301 0.791 0.356 1.00 0.00 C ATOM 105 C LYS A 7 11.715 1.611 -0.867 1.00 0.00 C ATOM 106 O LYS A 7 12.303 2.683 -0.730 1.00 0.00 O ATOM 107 CB LYS A 7 12.414 -0.107 0.901 1.00 0.00 C ATOM 108 CG LYS A 7 13.495 0.722 1.598 1.00 0.00 C ATOM 109 CD LYS A 7 13.499 0.460 3.106 1.00 0.00 C ATOM 110 CE LYS A 7 14.563 1.307 3.807 1.00 0.00 C ATOM 111 NZ LYS A 7 15.558 0.440 4.477 1.00 0.00 N ATOM 0 H LYS A 7 10.156 -0.963 0.358 1.00 0.00 H new ATOM 0 HA LYS A 7 11.076 1.500 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.994 -0.827 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.858 -0.678 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.472 0.478 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.324 1.782 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.517 0.687 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.688 -0.597 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.062 1.949 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.091 1.962 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.273 1.031 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.080 -0.155 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.021 -0.167 3.771 1.00 0.00 H new ATOM 125 N GLN A 8 11.393 1.076 -2.035 1.00 0.00 N ATOM 126 CA GLN A 8 11.724 1.745 -3.282 1.00 0.00 C ATOM 127 C GLN A 8 10.930 3.047 -3.413 1.00 0.00 C ATOM 128 O GLN A 8 11.506 4.108 -3.646 1.00 0.00 O ATOM 129 CB GLN A 8 11.474 0.827 -4.480 1.00 0.00 C ATOM 130 CG GLN A 8 12.747 0.072 -4.867 1.00 0.00 C ATOM 131 CD GLN A 8 13.712 0.979 -5.632 1.00 0.00 C ATOM 132 OE1 GLN A 8 14.406 1.808 -5.067 1.00 0.00 O ATOM 133 NE2 GLN A 8 13.717 0.777 -6.947 1.00 0.00 N ATOM 0 H GLN A 8 10.906 0.186 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 8 12.786 1.990 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.684 0.116 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.125 1.416 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.235 -0.309 -3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.490 -0.791 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.111 0.066 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.327 1.333 -7.546 1.00 0.00 H new ATOM 142 N ALA A 9 9.620 2.922 -3.258 1.00 0.00 N ATOM 143 CA ALA A 9 8.741 4.075 -3.356 1.00 0.00 C ATOM 144 C ALA A 9 9.183 5.134 -2.344 1.00 0.00 C ATOM 145 O ALA A 9 9.389 6.293 -2.703 1.00 0.00 O ATOM 146 CB ALA A 9 7.293 3.632 -3.142 1.00 0.00 C ATOM 0 H ALA A 9 9.146 2.040 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 9 8.802 4.522 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.633 4.497 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.020 2.901 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.192 3.182 -2.154 1.00 0.00 H new ATOM 152 N LEU A 10 9.315 4.700 -1.100 1.00 0.00 N ATOM 153 CA LEU A 10 9.728 5.596 -0.034 1.00 0.00 C ATOM 154 C LEU A 10 11.075 6.225 -0.395 1.00 0.00 C ATOM 155 O LEU A 10 11.203 7.448 -0.436 1.00 0.00 O ATOM 156 CB LEU A 10 9.732 4.865 1.311 1.00 0.00 C ATOM 157 CG LEU A 10 8.370 4.387 1.817 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.503 3.690 3.173 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.365 5.540 1.862 1.00 0.00 C ATOM 0 H LEU A 10 9.143 3.739 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 10 9.013 6.412 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.392 4.001 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.164 5.527 2.061 1.00 0.00 H new ATOM 0 HG LEU A 10 7.984 3.651 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.520 3.360 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.162 2.827 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.921 4.386 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.405 5.172 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.733 6.317 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.240 5.953 0.861 1.00 0.00 H new ATOM 171 N GLU A 11 12.047 5.360 -0.649 1.00 0.00 N ATOM 172 CA GLU A 11 13.380 5.816 -1.006 1.00 0.00 C ATOM 173 C GLU A 11 13.314 6.757 -2.210 1.00 0.00 C ATOM 174 O GLU A 11 13.815 7.879 -2.154 1.00 0.00 O ATOM 175 CB GLU A 11 14.307 4.631 -1.285 1.00 0.00 C ATOM 176 CG GLU A 11 14.837 4.031 0.019 1.00 0.00 C ATOM 177 CD GLU A 11 16.143 3.270 -0.220 1.00 0.00 C ATOM 178 OE1 GLU A 11 16.151 2.432 -1.147 1.00 0.00 O ATOM 179 OE2 GLU A 11 17.104 3.543 0.531 1.00 0.00 O ATOM 0 H GLU A 11 11.938 4.346 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 11 13.793 6.368 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.769 3.868 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.142 4.956 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.002 4.824 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.092 3.358 0.443 1.00 0.00 H new ATOM 186 N LEU A 12 12.693 6.265 -3.272 1.00 0.00 N ATOM 187 CA LEU A 12 12.555 7.048 -4.488 1.00 0.00 C ATOM 188 C LEU A 12 11.977 8.422 -4.143 1.00 0.00 C ATOM 189 O LEU A 12 12.499 9.446 -4.578 1.00 0.00 O ATOM 190 CB LEU A 12 11.738 6.281 -5.530 1.00 0.00 C ATOM 191 CG LEU A 12 11.296 7.081 -6.757 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.497 7.468 -7.621 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.237 6.318 -7.556 1.00 0.00 C ATOM 0 H LEU A 12 12.280 5.334 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 12 13.531 7.218 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.327 5.429 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.849 5.880 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 12 10.835 8.007 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.155 8.036 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.185 8.078 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.009 6.566 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.940 6.908 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.649 5.366 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.367 6.136 -6.925 1.00 0.00 H new ATOM 205 N PHE A 13 10.906 8.398 -3.363 1.00 0.00 N ATOM 206 CA PHE A 13 10.251 9.629 -2.954 1.00 0.00 C ATOM 207 C PHE A 13 11.263 10.626 -2.385 1.00 0.00 C ATOM 208 O PHE A 13 11.447 11.711 -2.934 1.00 0.00 O ATOM 209 CB PHE A 13 9.247 9.259 -1.860 1.00 0.00 C ATOM 210 CG PHE A 13 8.185 10.330 -1.603 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.372 10.738 -2.614 1.00 0.00 C ATOM 212 CD2 PHE A 13 8.054 10.874 -0.363 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.386 11.732 -2.375 1.00 0.00 C ATOM 214 CE2 PHE A 13 7.069 11.868 -0.124 1.00 0.00 C ATOM 215 CZ PHE A 13 6.255 12.276 -1.135 1.00 0.00 C ATOM 0 H PHE A 13 10.476 7.546 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 13 9.765 10.095 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.751 8.329 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.788 9.069 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.476 10.306 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.700 10.550 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.740 12.056 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.966 12.300 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.505 13.032 -0.953 1.00 0.00 H new ATOM 225 N LYS A 14 11.893 10.221 -1.292 1.00 0.00 N ATOM 226 CA LYS A 14 12.882 11.065 -0.643 1.00 0.00 C ATOM 227 C LYS A 14 13.974 11.432 -1.650 1.00 0.00 C ATOM 228 O LYS A 14 14.636 12.459 -1.507 1.00 0.00 O ATOM 229 CB LYS A 14 13.414 10.390 0.623 1.00 0.00 C ATOM 230 CG LYS A 14 14.634 11.135 1.170 1.00 0.00 C ATOM 231 CD LYS A 14 15.401 10.270 2.172 1.00 0.00 C ATOM 232 CE LYS A 14 16.717 9.771 1.571 1.00 0.00 C ATOM 233 NZ LYS A 14 17.325 8.739 2.440 1.00 0.00 N ATOM 0 H LYS A 14 11.738 9.320 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 14 12.427 11.999 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.631 10.361 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.683 9.357 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.292 11.415 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.314 12.059 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.605 10.846 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.787 9.420 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.537 9.359 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.408 10.605 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.217 8.411 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.515 9.144 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.671 7.936 2.535 1.00 0.00 H new ATOM 247 N SER A 15 14.128 10.572 -2.646 1.00 0.00 N ATOM 248 CA SER A 15 15.128 10.793 -3.677 1.00 0.00 C ATOM 249 C SER A 15 14.630 11.843 -4.673 1.00 0.00 C ATOM 250 O SER A 15 15.417 12.633 -5.191 1.00 0.00 O ATOM 251 CB SER A 15 15.466 9.490 -4.404 1.00 0.00 C ATOM 252 OG SER A 15 16.713 9.569 -5.089 1.00 0.00 O ATOM 0 H SER A 15 13.577 9.721 -2.761 1.00 0.00 H new ATOM 0 HA SER A 15 16.037 11.158 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.499 8.672 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.675 9.257 -5.117 1.00 0.00 H new ATOM 0 HG SER A 15 16.894 8.717 -5.539 1.00 0.00 H new ATOM 258 N LEU A 16 13.327 11.817 -4.910 1.00 0.00 N ATOM 259 CA LEU A 16 12.715 12.756 -5.834 1.00 0.00 C ATOM 260 C LEU A 16 12.659 14.141 -5.185 1.00 0.00 C ATOM 261 O LEU A 16 12.727 14.260 -3.962 1.00 0.00 O ATOM 262 CB LEU A 16 11.353 12.240 -6.300 1.00 0.00 C ATOM 263 CG LEU A 16 11.380 11.108 -7.328 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.962 10.661 -7.690 1.00 0.00 C ATOM 265 CD2 LEU A 16 12.187 11.510 -8.564 1.00 0.00 C ATOM 0 H LEU A 16 12.678 11.160 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 16 13.319 12.850 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.798 11.897 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.796 13.076 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 16 11.882 10.251 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.010 9.855 -8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.452 10.307 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.412 11.502 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.191 10.688 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.735 12.389 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.211 11.740 -8.271 1.00 0.00 H new ATOM 277 N PRO A 17 12.533 15.179 -6.054 1.00 0.00 N ATOM 278 CA PRO A 17 12.467 16.550 -5.578 1.00 0.00 C ATOM 279 C PRO A 17 11.099 16.852 -4.964 1.00 0.00 C ATOM 280 O PRO A 17 10.069 16.469 -5.517 1.00 0.00 O ATOM 281 CB PRO A 17 12.774 17.405 -6.797 1.00 0.00 C ATOM 282 CG PRO A 17 12.542 16.509 -8.003 1.00 0.00 C ATOM 283 CD PRO A 17 12.450 15.075 -7.508 1.00 0.00 C ATOM 0 HA PRO A 17 13.178 16.752 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.128 18.282 -6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.802 17.767 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.625 16.794 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.357 16.614 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.516 14.608 -7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.260 14.465 -7.908 1.00 0.00 H new ATOM 291 N LYS A 18 11.132 17.536 -3.830 1.00 0.00 N ATOM 292 CA LYS A 18 9.907 17.894 -3.136 1.00 0.00 C ATOM 293 C LYS A 18 8.810 18.185 -4.162 1.00 0.00 C ATOM 294 O LYS A 18 7.852 17.423 -4.284 1.00 0.00 O ATOM 295 CB LYS A 18 10.160 19.048 -2.163 1.00 0.00 C ATOM 296 CG LYS A 18 8.952 19.272 -1.252 1.00 0.00 C ATOM 297 CD LYS A 18 8.722 20.764 -1.002 1.00 0.00 C ATOM 298 CE LYS A 18 7.238 21.117 -1.116 1.00 0.00 C ATOM 299 NZ LYS A 18 7.053 22.308 -1.976 1.00 0.00 N ATOM 0 H LYS A 18 11.988 17.852 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 18 9.559 17.061 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.041 18.832 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.373 19.959 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.063 18.835 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.109 18.761 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.088 21.031 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.295 21.349 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.688 20.272 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.827 21.309 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.040 22.534 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.562 23.116 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.427 22.112 -2.926 1.00 0.00 H new ATOM 313 N GLU A 19 8.988 19.288 -4.874 1.00 0.00 N ATOM 314 CA GLU A 19 8.025 19.688 -5.886 1.00 0.00 C ATOM 315 C GLU A 19 7.434 18.456 -6.574 1.00 0.00 C ATOM 316 O GLU A 19 6.218 18.266 -6.578 1.00 0.00 O ATOM 317 CB GLU A 19 8.663 20.632 -6.907 1.00 0.00 C ATOM 318 CG GLU A 19 10.157 20.341 -7.064 1.00 0.00 C ATOM 319 CD GLU A 19 10.999 21.371 -6.307 1.00 0.00 C ATOM 320 OE1 GLU A 19 10.623 21.673 -5.154 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.998 21.832 -6.899 1.00 0.00 O ATOM 0 H GLU A 19 9.784 19.917 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 19 7.216 20.229 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.164 20.523 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.521 21.665 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.377 19.341 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.424 20.353 -8.121 1.00 0.00 H new ATOM 328 N LEU A 20 8.321 17.650 -7.138 1.00 0.00 N ATOM 329 CA LEU A 20 7.902 16.441 -7.827 1.00 0.00 C ATOM 330 C LEU A 20 7.152 15.535 -6.848 1.00 0.00 C ATOM 331 O LEU A 20 6.016 15.141 -7.107 1.00 0.00 O ATOM 332 CB LEU A 20 9.100 15.764 -8.496 1.00 0.00 C ATOM 333 CG LEU A 20 9.569 16.382 -9.815 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.622 15.501 -10.489 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.384 16.669 -10.739 1.00 0.00 C ATOM 0 H LEU A 20 9.328 17.810 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 20 7.209 16.682 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.935 15.774 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.848 14.719 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 20 10.043 17.338 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.938 15.963 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.482 15.392 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.197 14.519 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.746 17.108 -11.669 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.859 15.739 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.702 17.365 -10.251 1.00 0.00 H new ATOM 347 N ARG A 21 7.817 15.232 -5.743 1.00 0.00 N ATOM 348 CA ARG A 21 7.228 14.380 -4.724 1.00 0.00 C ATOM 349 C ARG A 21 5.733 14.677 -4.584 1.00 0.00 C ATOM 350 O ARG A 21 4.902 13.782 -4.730 1.00 0.00 O ATOM 351 CB ARG A 21 7.911 14.587 -3.371 1.00 0.00 C ATOM 352 CG ARG A 21 9.376 14.149 -3.424 1.00 0.00 C ATOM 353 CD ARG A 21 10.019 14.218 -2.037 1.00 0.00 C ATOM 354 NE ARG A 21 11.263 15.018 -2.095 1.00 0.00 N ATOM 355 CZ ARG A 21 11.810 15.634 -1.039 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.227 15.545 0.165 1.00 0.00 N ATOM 357 NH2 ARG A 21 12.941 16.338 -1.185 1.00 0.00 N ATOM 0 H ARG A 21 8.759 15.562 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 21 7.369 13.345 -5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.852 15.638 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.385 14.019 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.441 13.131 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.925 14.787 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.323 14.664 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.240 13.212 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 21 11.733 15.106 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.367 15.008 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.644 16.014 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.386 16.405 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.357 16.807 -0.381 1.00 0.00 H new ATOM 371 N SER A 22 5.437 15.938 -4.303 1.00 0.00 N ATOM 372 CA SER A 22 4.057 16.364 -4.141 1.00 0.00 C ATOM 373 C SER A 22 3.174 15.686 -5.191 1.00 0.00 C ATOM 374 O SER A 22 2.077 15.223 -4.879 1.00 0.00 O ATOM 375 CB SER A 22 3.934 17.885 -4.247 1.00 0.00 C ATOM 376 OG SER A 22 2.851 18.388 -3.470 1.00 0.00 O ATOM 0 H SER A 22 6.129 16.678 -4.183 1.00 0.00 H new ATOM 0 HA SER A 22 3.722 16.068 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.864 18.348 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.792 18.165 -5.291 1.00 0.00 H new ATOM 0 HG SER A 22 2.807 19.363 -3.563 1.00 0.00 H new ATOM 382 N GLN A 23 3.685 15.648 -6.413 1.00 0.00 N ATOM 383 CA GLN A 23 2.956 15.035 -7.510 1.00 0.00 C ATOM 384 C GLN A 23 2.881 13.519 -7.315 1.00 0.00 C ATOM 385 O GLN A 23 1.824 12.917 -7.503 1.00 0.00 O ATOM 386 CB GLN A 23 3.595 15.384 -8.855 1.00 0.00 C ATOM 387 CG GLN A 23 3.940 16.872 -8.929 1.00 0.00 C ATOM 388 CD GLN A 23 3.008 17.604 -9.897 1.00 0.00 C ATOM 389 OE1 GLN A 23 2.186 17.011 -10.575 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.182 18.923 -9.922 1.00 0.00 N ATOM 0 H GLN A 23 4.595 16.032 -6.667 1.00 0.00 H new ATOM 0 HA GLN A 23 1.941 15.432 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.498 14.790 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.912 15.125 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.862 17.317 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.974 16.994 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.889 19.355 -9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.608 19.502 -10.535 1.00 0.00 H new ATOM 399 N VAL A 24 4.015 12.945 -6.941 1.00 0.00 N ATOM 400 CA VAL A 24 4.091 11.512 -6.718 1.00 0.00 C ATOM 401 C VAL A 24 2.918 11.074 -5.839 1.00 0.00 C ATOM 402 O VAL A 24 2.060 10.309 -6.277 1.00 0.00 O ATOM 403 CB VAL A 24 5.453 11.145 -6.125 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.508 9.662 -5.754 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.585 11.513 -7.086 1.00 0.00 C ATOM 0 H VAL A 24 4.889 13.447 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 24 4.008 10.974 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 24 5.588 11.723 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.487 9.428 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.736 9.442 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.341 9.057 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.542 11.242 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.455 10.974 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.565 12.586 -7.278 1.00 0.00 H new ATOM 415 N LEU A 25 2.919 11.576 -4.613 1.00 0.00 N ATOM 416 CA LEU A 25 1.867 11.246 -3.667 1.00 0.00 C ATOM 417 C LEU A 25 0.521 11.225 -4.396 1.00 0.00 C ATOM 418 O LEU A 25 -0.302 10.341 -4.162 1.00 0.00 O ATOM 419 CB LEU A 25 1.903 12.199 -2.471 1.00 0.00 C ATOM 420 CG LEU A 25 3.185 12.178 -1.636 1.00 0.00 C ATOM 421 CD1 LEU A 25 3.066 13.107 -0.426 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.551 10.750 -1.228 1.00 0.00 C ATOM 0 H LEU A 25 3.633 12.210 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 25 2.024 10.249 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.747 13.214 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.063 11.962 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 25 4.001 12.555 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.990 13.074 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.887 14.127 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.235 12.783 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.466 10.764 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.742 10.322 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.706 10.145 -2.121 1.00 0.00 H new ATOM 434 N LEU A 26 0.339 12.209 -5.264 1.00 0.00 N ATOM 435 CA LEU A 26 -0.892 12.314 -6.029 1.00 0.00 C ATOM 436 C LEU A 26 -0.997 11.125 -6.985 1.00 0.00 C ATOM 437 O LEU A 26 -1.984 10.390 -6.961 1.00 0.00 O ATOM 438 CB LEU A 26 -0.975 13.673 -6.727 1.00 0.00 C ATOM 439 CG LEU A 26 -1.798 14.746 -6.011 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.230 14.268 -5.768 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.114 15.188 -4.715 1.00 0.00 C ATOM 0 H LEU A 26 1.023 12.941 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.756 12.268 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.038 14.051 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.396 13.523 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.856 15.620 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.793 15.050 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.705 14.043 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.214 13.370 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.720 15.951 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.004 14.331 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.130 15.598 -4.944 1.00 0.00 H new ATOM 453 N GLU A 27 0.033 10.971 -7.803 1.00 0.00 N ATOM 454 CA GLU A 27 0.069 9.883 -8.765 1.00 0.00 C ATOM 455 C GLU A 27 -0.348 8.570 -8.098 1.00 0.00 C ATOM 456 O GLU A 27 -1.219 7.863 -8.602 1.00 0.00 O ATOM 457 CB GLU A 27 1.455 9.758 -9.401 1.00 0.00 C ATOM 458 CG GLU A 27 1.928 11.104 -9.953 1.00 0.00 C ATOM 459 CD GLU A 27 2.303 10.990 -11.432 1.00 0.00 C ATOM 460 OE1 GLU A 27 3.055 10.045 -11.755 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.828 11.849 -12.206 1.00 0.00 O ATOM 0 H GLU A 27 0.850 11.582 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.641 10.105 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.167 9.394 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.426 9.022 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.141 11.848 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.788 11.453 -9.382 1.00 0.00 H new ATOM 468 N TYR A 28 0.293 8.285 -6.974 1.00 0.00 N ATOM 469 CA TYR A 28 -0.001 7.070 -6.233 1.00 0.00 C ATOM 470 C TYR A 28 -1.511 6.854 -6.111 1.00 0.00 C ATOM 471 O TYR A 28 -2.023 5.803 -6.493 1.00 0.00 O ATOM 472 CB TYR A 28 0.587 7.276 -4.836 1.00 0.00 C ATOM 473 CG TYR A 28 2.081 6.962 -4.737 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.912 7.213 -5.810 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.598 6.427 -3.574 1.00 0.00 C ATOM 476 CE1 TYR A 28 4.318 6.918 -5.717 1.00 0.00 C ATOM 477 CE2 TYR A 28 4.004 6.132 -3.481 1.00 0.00 C ATOM 478 CZ TYR A 28 4.795 6.391 -4.557 1.00 0.00 C ATOM 479 OH TYR A 28 6.123 6.112 -4.469 1.00 0.00 O ATOM 0 H TYR A 28 1.015 8.874 -6.559 1.00 0.00 H new ATOM 0 HA TYR A 28 0.418 6.201 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.423 8.310 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.046 6.647 -4.129 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.507 7.631 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.948 6.230 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.979 7.111 -6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.422 5.714 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 28 6.482 6.489 -3.639 1.00 0.00 H new ATOM 489 N ALA A 29 -2.180 7.865 -5.579 1.00 0.00 N ATOM 490 CA ALA A 29 -3.621 7.799 -5.402 1.00 0.00 C ATOM 491 C ALA A 29 -4.287 7.575 -6.761 1.00 0.00 C ATOM 492 O ALA A 29 -5.352 6.965 -6.841 1.00 0.00 O ATOM 493 CB ALA A 29 -4.111 9.076 -4.716 1.00 0.00 C ATOM 0 H ALA A 29 -1.751 8.735 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.891 6.961 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.192 9.026 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.630 9.174 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.861 9.939 -5.333 1.00 0.00 H new ATOM 499 N ALA A 30 -3.632 8.080 -7.796 1.00 0.00 N ATOM 500 CA ALA A 30 -4.148 7.943 -9.147 1.00 0.00 C ATOM 501 C ALA A 30 -4.004 6.488 -9.598 1.00 0.00 C ATOM 502 O ALA A 30 -4.773 6.015 -10.433 1.00 0.00 O ATOM 503 CB ALA A 30 -3.416 8.916 -10.074 1.00 0.00 C ATOM 0 H ALA A 30 -2.748 8.585 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.208 8.195 -9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.803 8.813 -11.088 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.573 9.937 -9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.349 8.691 -10.068 1.00 0.00 H new ATOM 509 N LYS A 31 -3.014 5.820 -9.026 1.00 0.00 N ATOM 510 CA LYS A 31 -2.760 4.429 -9.358 1.00 0.00 C ATOM 511 C LYS A 31 -3.450 3.529 -8.331 1.00 0.00 C ATOM 512 O LYS A 31 -2.964 2.440 -8.028 1.00 0.00 O ATOM 513 CB LYS A 31 -1.256 4.174 -9.485 1.00 0.00 C ATOM 514 CG LYS A 31 -0.673 4.926 -10.684 1.00 0.00 C ATOM 515 CD LYS A 31 0.150 6.133 -10.227 1.00 0.00 C ATOM 516 CE LYS A 31 1.603 6.013 -10.690 1.00 0.00 C ATOM 517 NZ LYS A 31 1.664 5.785 -12.151 1.00 0.00 N ATOM 0 H LYS A 31 -2.378 6.216 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.185 4.187 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.751 4.490 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.073 3.105 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.045 4.254 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.480 5.258 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.288 7.048 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.116 6.210 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.148 6.921 -10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.091 5.191 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.508 6.252 -12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.714 4.764 -12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.813 6.179 -12.600 1.00 0.00 H new ATOM 531 N VAL A 32 -4.573 4.017 -7.825 1.00 0.00 N ATOM 532 CA VAL A 32 -5.336 3.270 -6.839 1.00 0.00 C ATOM 533 C VAL A 32 -6.750 3.027 -7.371 1.00 0.00 C ATOM 534 O VAL A 32 -7.590 3.925 -7.343 1.00 0.00 O ATOM 535 CB VAL A 32 -5.320 4.007 -5.498 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.323 3.390 -4.521 1.00 0.00 C ATOM 537 CG2 VAL A 32 -3.912 4.025 -4.899 1.00 0.00 C ATOM 0 H VAL A 32 -4.973 4.920 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.883 2.294 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.620 5.039 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.291 3.932 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.327 3.453 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.067 2.345 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.929 4.555 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.571 3.002 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.232 4.531 -5.584 1.00 0.00 H new ATOM 547 N PRO A 33 -6.975 1.776 -7.855 1.00 0.00 N ATOM 548 CA PRO A 33 -8.272 1.404 -8.392 1.00 0.00 C ATOM 549 C PRO A 33 -9.290 1.190 -7.270 1.00 0.00 C ATOM 550 O PRO A 33 -8.914 0.999 -6.114 1.00 0.00 O ATOM 551 CB PRO A 33 -8.015 0.147 -9.207 1.00 0.00 C ATOM 552 CG PRO A 33 -6.682 -0.399 -8.721 1.00 0.00 C ATOM 553 CD PRO A 33 -6.003 0.687 -7.903 1.00 0.00 C ATOM 0 HA PRO A 33 -8.708 2.185 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.812 -0.582 -9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.979 0.373 -10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.834 -1.293 -8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.057 -0.687 -9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.755 0.333 -6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.071 1.008 -8.367 1.00 0.00 H new ATOM 561 N PRO A 34 -10.592 1.231 -7.659 1.00 0.00 N ATOM 562 CA PRO A 34 -11.667 1.045 -6.699 1.00 0.00 C ATOM 563 C PRO A 34 -11.796 -0.427 -6.300 1.00 0.00 C ATOM 564 O PRO A 34 -11.394 -1.315 -7.051 1.00 0.00 O ATOM 565 CB PRO A 34 -12.909 1.585 -7.389 1.00 0.00 C ATOM 566 CG PRO A 34 -12.578 1.625 -8.872 1.00 0.00 C ATOM 567 CD PRO A 34 -11.075 1.456 -9.019 1.00 0.00 C ATOM 0 HA PRO A 34 -11.489 1.571 -5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.771 0.946 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.161 2.579 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.105 0.832 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.900 2.570 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.833 0.615 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.618 2.342 -9.460 1.00 0.00 H new ATOM 575 N PRO A 35 -12.374 -0.646 -5.089 1.00 0.00 N ATOM 576 CA PRO A 35 -12.562 -1.994 -4.582 1.00 0.00 C ATOM 577 C PRO A 35 -13.719 -2.694 -5.299 1.00 0.00 C ATOM 578 O PRO A 35 -14.621 -2.037 -5.817 1.00 0.00 O ATOM 579 CB PRO A 35 -12.804 -1.824 -3.091 1.00 0.00 C ATOM 580 CG PRO A 35 -13.204 -0.370 -2.897 1.00 0.00 C ATOM 581 CD PRO A 35 -12.863 0.381 -4.174 1.00 0.00 C ATOM 0 HA PRO A 35 -11.698 -2.634 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.590 -2.495 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.906 -2.062 -2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.270 -0.293 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.675 0.062 -2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.738 0.889 -4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.106 1.144 -3.994 1.00 0.00 H new ATOM 589 N PRO A 36 -13.653 -4.052 -5.307 1.00 0.00 N ATOM 590 CA PRO A 36 -14.683 -4.848 -5.952 1.00 0.00 C ATOM 591 C PRO A 36 -15.959 -4.880 -5.108 1.00 0.00 C ATOM 592 O PRO A 36 -15.911 -4.683 -3.895 1.00 0.00 O ATOM 593 CB PRO A 36 -14.060 -6.222 -6.139 1.00 0.00 C ATOM 594 CG PRO A 36 -12.882 -6.279 -5.180 1.00 0.00 C ATOM 595 CD PRO A 36 -12.599 -4.864 -4.704 1.00 0.00 C ATOM 0 HA PRO A 36 -14.996 -4.434 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.780 -7.010 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.733 -6.366 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.110 -6.928 -4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.006 -6.697 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.623 -4.800 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.611 -4.530 -5.021 1.00 0.00 H new ATOM 603 N PRO A 37 -17.100 -5.137 -5.802 1.00 0.00 N ATOM 604 CA PRO A 37 -18.387 -5.197 -5.130 1.00 0.00 C ATOM 605 C PRO A 37 -18.533 -6.500 -4.341 1.00 0.00 C ATOM 606 O PRO A 37 -18.457 -7.587 -4.911 1.00 0.00 O ATOM 607 CB PRO A 37 -19.417 -5.056 -6.239 1.00 0.00 C ATOM 608 CG PRO A 37 -18.687 -5.388 -7.530 1.00 0.00 C ATOM 609 CD PRO A 37 -17.195 -5.375 -7.239 1.00 0.00 C ATOM 0 HA PRO A 37 -18.511 -4.409 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -20.257 -5.732 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.823 -4.045 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.995 -6.365 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.931 -4.661 -8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.729 -6.321 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.688 -4.593 -7.804 1.00 0.00 H new ATOM 617 N GLY A 38 -18.740 -6.347 -3.041 1.00 0.00 N ATOM 618 CA GLY A 38 -18.897 -7.498 -2.168 1.00 0.00 C ATOM 619 C GLY A 38 -17.862 -7.476 -1.041 1.00 0.00 C ATOM 620 O GLY A 38 -18.132 -7.945 0.063 1.00 0.00 O ATOM 0 H GLY A 38 -18.803 -5.444 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.901 -7.503 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.790 -8.415 -2.747 1.00 0.00 H new ATOM 624 N VAL A 39 -16.699 -6.927 -1.359 1.00 0.00 N ATOM 625 CA VAL A 39 -15.623 -6.839 -0.387 1.00 0.00 C ATOM 626 C VAL A 39 -16.025 -5.870 0.726 1.00 0.00 C ATOM 627 O VAL A 39 -16.407 -4.732 0.455 1.00 0.00 O ATOM 628 CB VAL A 39 -14.320 -6.441 -1.084 1.00 0.00 C ATOM 629 CG1 VAL A 39 -13.232 -6.104 -0.062 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.852 -7.539 -2.041 1.00 0.00 C ATOM 0 H VAL A 39 -16.478 -6.539 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.446 -7.810 0.076 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.516 -5.545 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.317 -5.825 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.563 -5.273 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.040 -6.974 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.924 -7.230 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.682 -8.460 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -14.616 -7.710 -2.800 1.00 0.00 H new ATOM 640 N GLU A 40 -15.926 -6.356 1.954 1.00 0.00 N ATOM 641 CA GLU A 40 -16.276 -5.547 3.110 1.00 0.00 C ATOM 642 C GLU A 40 -15.026 -4.878 3.687 1.00 0.00 C ATOM 643 O GLU A 40 -14.096 -5.558 4.117 1.00 0.00 O ATOM 644 CB GLU A 40 -16.988 -6.386 4.172 1.00 0.00 C ATOM 645 CG GLU A 40 -16.961 -5.687 5.532 1.00 0.00 C ATOM 646 CD GLU A 40 -18.200 -6.045 6.357 1.00 0.00 C ATOM 647 OE1 GLU A 40 -19.309 -5.702 5.894 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.009 -6.653 7.432 1.00 0.00 O ATOM 0 H GLU A 40 -15.608 -7.300 2.174 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.966 -4.768 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -18.020 -6.561 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.509 -7.362 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.062 -5.976 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.914 -4.607 5.389 1.00 0.00 H new ATOM 655 N LEU A 41 -15.045 -3.553 3.677 1.00 0.00 N ATOM 656 CA LEU A 41 -13.925 -2.785 4.194 1.00 0.00 C ATOM 657 C LEU A 41 -14.293 -2.214 5.565 1.00 0.00 C ATOM 658 O LEU A 41 -15.465 -1.961 5.841 1.00 0.00 O ATOM 659 CB LEU A 41 -13.491 -1.723 3.182 1.00 0.00 C ATOM 660 CG LEU A 41 -13.060 -2.241 1.808 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.101 -1.900 0.741 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.669 -1.722 1.439 1.00 0.00 C ATOM 0 H LEU A 41 -15.818 -2.992 3.319 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.057 -3.428 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.316 -1.024 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.664 -1.158 3.611 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.996 -3.328 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.769 -2.280 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.054 -2.359 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.222 -0.818 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.386 -2.105 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.682 -0.632 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.946 -2.059 2.182 1.00 0.00 H new ATOM 674 N GLU A 42 -13.271 -2.029 6.387 1.00 0.00 N ATOM 675 CA GLU A 42 -13.472 -1.493 7.722 1.00 0.00 C ATOM 676 C GLU A 42 -13.054 -0.022 7.772 1.00 0.00 C ATOM 677 O GLU A 42 -11.934 0.322 7.397 1.00 0.00 O ATOM 678 CB GLU A 42 -12.711 -2.315 8.764 1.00 0.00 C ATOM 679 CG GLU A 42 -13.035 -1.840 10.181 1.00 0.00 C ATOM 680 CD GLU A 42 -12.818 -2.962 11.199 1.00 0.00 C ATOM 681 OE1 GLU A 42 -11.636 -3.281 11.449 1.00 0.00 O ATOM 682 OE2 GLU A 42 -13.840 -3.475 11.703 1.00 0.00 O ATOM 0 H GLU A 42 -12.301 -2.241 6.154 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.533 -1.557 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.971 -3.369 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.639 -2.232 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.406 -0.987 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.069 -1.498 10.226 1.00 0.00 H new ATOM 689 N ARG A 43 -13.977 0.807 8.239 1.00 0.00 N ATOM 690 CA ARG A 43 -13.718 2.233 8.343 1.00 0.00 C ATOM 691 C ARG A 43 -12.578 2.495 9.329 1.00 0.00 C ATOM 692 O ARG A 43 -12.442 1.790 10.328 1.00 0.00 O ATOM 693 CB ARG A 43 -14.966 2.987 8.804 1.00 0.00 C ATOM 694 CG ARG A 43 -14.613 4.403 9.264 1.00 0.00 C ATOM 695 CD ARG A 43 -15.768 5.371 8.997 1.00 0.00 C ATOM 696 NE ARG A 43 -16.921 5.033 9.862 1.00 0.00 N ATOM 697 CZ ARG A 43 -18.130 5.601 9.758 1.00 0.00 C ATOM 698 NH1 ARG A 43 -18.352 6.538 8.826 1.00 0.00 N ATOM 699 NH2 ARG A 43 -19.117 5.233 10.586 1.00 0.00 N ATOM 0 H ARG A 43 -14.905 0.518 8.549 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.436 2.592 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.688 3.035 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.443 2.444 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.379 4.395 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.719 4.746 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.447 6.395 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.062 5.320 7.949 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.787 4.323 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.601 6.819 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.272 6.970 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.948 4.520 11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.037 5.666 10.507 1.00 0.00 H new ATOM 713 N VAL A 44 -11.787 3.511 9.015 1.00 0.00 N ATOM 714 CA VAL A 44 -10.664 3.875 9.861 1.00 0.00 C ATOM 715 C VAL A 44 -11.076 5.024 10.783 1.00 0.00 C ATOM 716 O VAL A 44 -10.948 6.192 10.420 1.00 0.00 O ATOM 717 CB VAL A 44 -9.445 4.208 8.998 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.283 4.707 9.860 1.00 0.00 C ATOM 719 CG2 VAL A 44 -9.025 3.004 8.154 1.00 0.00 C ATOM 0 H VAL A 44 -11.902 4.094 8.186 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.377 3.037 10.496 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.726 5.012 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.429 4.937 9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.588 5.606 10.396 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.003 3.934 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.157 3.268 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.772 2.171 8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.847 2.714 7.500 1.00 0.00 H new ATOM 729 N HIS A 45 -11.564 4.653 11.958 1.00 0.00 N ATOM 730 CA HIS A 45 -11.996 5.638 12.934 1.00 0.00 C ATOM 731 C HIS A 45 -10.851 6.612 13.221 1.00 0.00 C ATOM 732 O HIS A 45 -11.066 7.820 13.307 1.00 0.00 O ATOM 733 CB HIS A 45 -12.524 4.955 14.197 1.00 0.00 C ATOM 734 CG HIS A 45 -13.887 4.326 14.031 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.764 4.693 13.025 1.00 0.00 N ATOM 736 CD2 HIS A 45 -14.513 3.352 14.751 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.866 3.966 13.145 1.00 0.00 C ATOM 738 NE2 HIS A 45 -15.708 3.136 14.216 1.00 0.00 N ATOM 0 H HIS A 45 -11.670 3.683 12.256 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.826 6.217 12.530 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.815 4.186 14.505 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.569 5.688 15.002 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.105 2.842 15.611 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.736 4.021 12.507 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.395 2.461 14.550 1.00 0.00 H new ATOM 746 N GLU A 46 -9.660 6.050 13.361 1.00 0.00 N ATOM 747 CA GLU A 46 -8.481 6.854 13.637 1.00 0.00 C ATOM 748 C GLU A 46 -8.395 8.024 12.655 1.00 0.00 C ATOM 749 O GLU A 46 -7.779 9.046 12.953 1.00 0.00 O ATOM 750 CB GLU A 46 -7.212 6.001 13.587 1.00 0.00 C ATOM 751 CG GLU A 46 -6.685 5.718 14.995 1.00 0.00 C ATOM 752 CD GLU A 46 -5.549 6.676 15.359 1.00 0.00 C ATOM 753 OE1 GLU A 46 -5.737 7.891 15.132 1.00 0.00 O ATOM 754 OE2 GLU A 46 -4.519 6.172 15.856 1.00 0.00 O ATOM 0 H GLU A 46 -9.485 5.048 13.289 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.568 7.258 14.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.422 5.060 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.447 6.515 13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.495 5.818 15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.331 4.689 15.054 1.00 0.00 H new ATOM 761 N CYS A 47 -9.021 7.835 11.502 1.00 0.00 N ATOM 762 CA CYS A 47 -9.023 8.862 10.475 1.00 0.00 C ATOM 763 C CYS A 47 -10.378 9.571 10.507 1.00 0.00 C ATOM 764 O CYS A 47 -11.423 8.923 10.491 1.00 0.00 O ATOM 765 CB CYS A 47 -8.716 8.280 9.093 1.00 0.00 C ATOM 766 SG CYS A 47 -8.345 9.629 7.914 1.00 0.00 S ATOM 0 H CYS A 47 -9.530 6.986 11.257 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.232 9.584 10.677 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.868 7.598 9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.566 7.699 8.737 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.369 9.820 7.136 1.00 0.00 H new ATOM 772 N GLN A 48 -10.316 10.894 10.551 1.00 0.00 N ATOM 773 CA GLN A 48 -11.526 11.699 10.586 1.00 0.00 C ATOM 774 C GLN A 48 -12.445 11.325 9.422 1.00 0.00 C ATOM 775 O GLN A 48 -13.662 11.249 9.587 1.00 0.00 O ATOM 776 CB GLN A 48 -11.192 13.192 10.563 1.00 0.00 C ATOM 777 CG GLN A 48 -10.186 13.545 11.661 1.00 0.00 C ATOM 778 CD GLN A 48 -10.785 14.549 12.649 1.00 0.00 C ATOM 779 OE1 GLN A 48 -11.944 14.477 13.022 1.00 0.00 O ATOM 780 NE2 GLN A 48 -9.931 15.487 13.051 1.00 0.00 N ATOM 0 H GLN A 48 -9.447 11.429 10.563 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.050 11.492 11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.783 13.462 9.589 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.103 13.774 10.699 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.888 12.640 12.191 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.285 13.963 11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.974 15.490 12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.234 16.203 13.711 1.00 0.00 H new ATOM 789 N THR A 49 -11.829 11.102 8.270 1.00 0.00 N ATOM 790 CA THR A 49 -12.577 10.738 7.079 1.00 0.00 C ATOM 791 C THR A 49 -12.891 9.240 7.083 1.00 0.00 C ATOM 792 O THR A 49 -12.170 8.453 7.694 1.00 0.00 O ATOM 793 CB THR A 49 -11.770 11.185 5.859 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.525 10.505 5.997 1.00 0.00 O ATOM 795 CG2 THR A 49 -11.393 12.667 5.917 1.00 0.00 C ATOM 0 H THR A 49 -10.820 11.167 8.136 1.00 0.00 H new ATOM 0 HA THR A 49 -13.543 11.241 7.050 1.00 0.00 H new ATOM 0 HB THR A 49 -12.345 10.992 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.792 11.154 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.821 12.932 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.299 13.272 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.790 12.854 6.805 1.00 0.00 H new ATOM 803 N PRO A 50 -13.997 8.883 6.377 1.00 0.00 N ATOM 804 CA PRO A 50 -14.416 7.494 6.294 1.00 0.00 C ATOM 805 C PRO A 50 -13.512 6.705 5.345 1.00 0.00 C ATOM 806 O PRO A 50 -13.901 6.407 4.217 1.00 0.00 O ATOM 807 CB PRO A 50 -15.863 7.547 5.831 1.00 0.00 C ATOM 808 CG PRO A 50 -16.057 8.928 5.227 1.00 0.00 C ATOM 809 CD PRO A 50 -14.875 9.789 5.642 1.00 0.00 C ATOM 0 HA PRO A 50 -14.336 6.972 7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.067 6.768 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.546 7.386 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.120 8.864 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.991 9.369 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.370 10.213 4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.193 10.625 6.265 1.00 0.00 H new ATOM 817 N PHE A 51 -12.323 6.389 5.836 1.00 0.00 N ATOM 818 CA PHE A 51 -11.361 5.641 5.046 1.00 0.00 C ATOM 819 C PHE A 51 -11.489 4.138 5.306 1.00 0.00 C ATOM 820 O PHE A 51 -10.996 3.635 6.314 1.00 0.00 O ATOM 821 CB PHE A 51 -9.969 6.104 5.479 1.00 0.00 C ATOM 822 CG PHE A 51 -8.824 5.415 4.734 1.00 0.00 C ATOM 823 CD1 PHE A 51 -9.070 4.750 3.574 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.560 5.467 5.233 1.00 0.00 C ATOM 825 CE1 PHE A 51 -8.008 4.110 2.883 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.497 4.827 4.542 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.743 4.162 3.381 1.00 0.00 C ATOM 0 H PHE A 51 -12.004 6.638 6.772 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.536 5.816 3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.892 7.181 5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.854 5.924 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.074 4.709 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.365 5.995 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.204 3.582 1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.493 4.868 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.935 3.676 2.855 1.00 0.00 H new ATOM 837 N PHE A 52 -12.153 3.464 4.378 1.00 0.00 N ATOM 838 CA PHE A 52 -12.352 2.030 4.494 1.00 0.00 C ATOM 839 C PHE A 52 -11.213 1.262 3.820 1.00 0.00 C ATOM 840 O PHE A 52 -10.760 1.638 2.740 1.00 0.00 O ATOM 841 CB PHE A 52 -13.665 1.701 3.781 1.00 0.00 C ATOM 842 CG PHE A 52 -14.771 2.734 4.007 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.513 2.698 5.146 1.00 0.00 C ATOM 844 CD2 PHE A 52 -15.013 3.688 3.067 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.539 3.657 5.355 1.00 0.00 C ATOM 846 CE2 PHE A 52 -16.039 4.646 3.277 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.781 4.611 4.416 1.00 0.00 C ATOM 0 H PHE A 52 -12.560 3.885 3.543 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.377 1.742 5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.474 1.616 2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.017 0.727 4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.322 1.940 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.425 3.716 2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -17.128 3.629 6.260 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.231 5.404 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.562 5.340 4.575 1.00 0.00 H new ATOM 857 N VAL A 53 -10.784 0.199 4.485 1.00 0.00 N ATOM 858 CA VAL A 53 -9.707 -0.625 3.963 1.00 0.00 C ATOM 859 C VAL A 53 -10.019 -2.097 4.236 1.00 0.00 C ATOM 860 O VAL A 53 -10.841 -2.412 5.095 1.00 0.00 O ATOM 861 CB VAL A 53 -8.370 -0.177 4.558 1.00 0.00 C ATOM 862 CG1 VAL A 53 -8.120 1.308 4.289 1.00 0.00 C ATOM 863 CG2 VAL A 53 -8.308 -0.480 6.056 1.00 0.00 C ATOM 0 H VAL A 53 -11.163 -0.110 5.380 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.624 -0.505 2.883 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.579 -0.744 4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.164 1.600 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.100 1.485 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.918 1.899 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.348 -0.152 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.113 0.048 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.419 -1.553 6.215 1.00 0.00 H new ATOM 873 N HIS A 54 -9.346 -2.960 3.489 1.00 0.00 N ATOM 874 CA HIS A 54 -9.542 -4.392 3.639 1.00 0.00 C ATOM 875 C HIS A 54 -8.259 -5.129 3.251 1.00 0.00 C ATOM 876 O HIS A 54 -7.777 -4.995 2.127 1.00 0.00 O ATOM 877 CB HIS A 54 -10.760 -4.861 2.841 1.00 0.00 C ATOM 878 CG HIS A 54 -11.073 -6.329 3.004 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.770 -6.831 4.089 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.778 -7.397 2.208 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.882 -8.143 3.943 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.267 -8.492 2.777 1.00 0.00 N ATOM 0 H HIS A 54 -8.664 -2.695 2.778 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.753 -4.626 4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.629 -4.279 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.592 -4.651 1.785 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -12.135 -6.284 4.869 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.238 -7.358 1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.374 -8.818 4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.195 -9.438 2.404 1.00 0.00 H new ATOM 890 N ALA A 55 -7.741 -5.891 4.203 1.00 0.00 N ATOM 891 CA ALA A 55 -6.522 -6.649 3.974 1.00 0.00 C ATOM 892 C ALA A 55 -6.848 -8.144 3.984 1.00 0.00 C ATOM 893 O ALA A 55 -7.600 -8.614 4.836 1.00 0.00 O ATOM 894 CB ALA A 55 -5.481 -6.273 5.030 1.00 0.00 C ATOM 0 H ALA A 55 -8.143 -6.000 5.134 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.098 -6.410 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.567 -6.841 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.263 -5.207 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.870 -6.502 6.022 1.00 0.00 H new ATOM 900 N ASP A 56 -6.265 -8.850 3.026 1.00 0.00 N ATOM 901 CA ASP A 56 -6.484 -10.283 2.913 1.00 0.00 C ATOM 902 C ASP A 56 -5.427 -10.884 1.985 1.00 0.00 C ATOM 903 O ASP A 56 -4.699 -10.155 1.313 1.00 0.00 O ATOM 904 CB ASP A 56 -7.861 -10.584 2.320 1.00 0.00 C ATOM 905 CG ASP A 56 -8.979 -10.778 3.345 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.635 -10.955 4.534 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.154 -10.744 2.918 1.00 0.00 O ATOM 0 H ASP A 56 -5.641 -8.457 2.321 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.420 -10.714 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.138 -9.768 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.788 -11.484 1.710 1.00 0.00 H new ATOM 912 N VAL A 57 -5.376 -12.208 1.979 1.00 0.00 N ATOM 913 CA VAL A 57 -4.420 -12.916 1.144 1.00 0.00 C ATOM 914 C VAL A 57 -5.117 -14.098 0.467 1.00 0.00 C ATOM 915 O VAL A 57 -5.738 -14.922 1.136 1.00 0.00 O ATOM 916 CB VAL A 57 -3.207 -13.335 1.978 1.00 0.00 C ATOM 917 CG1 VAL A 57 -3.630 -13.766 3.383 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.418 -14.443 1.279 1.00 0.00 C ATOM 0 H VAL A 57 -5.981 -12.809 2.539 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.046 -12.264 0.355 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.553 -12.469 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.749 -14.059 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.128 -12.936 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.315 -14.611 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.561 -14.722 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.060 -15.312 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.069 -14.086 0.310 1.00 0.00 H new ATOM 928 N GLU A 58 -4.990 -14.142 -0.851 1.00 0.00 N ATOM 929 CA GLU A 58 -5.601 -15.209 -1.626 1.00 0.00 C ATOM 930 C GLU A 58 -4.532 -15.972 -2.412 1.00 0.00 C ATOM 931 O GLU A 58 -4.066 -15.503 -3.449 1.00 0.00 O ATOM 932 CB GLU A 58 -6.681 -14.660 -2.559 1.00 0.00 C ATOM 933 CG GLU A 58 -8.079 -15.017 -2.050 1.00 0.00 C ATOM 934 CD GLU A 58 -8.222 -16.528 -1.855 1.00 0.00 C ATOM 935 OE1 GLU A 58 -7.919 -17.257 -2.824 1.00 0.00 O ATOM 936 OE2 GLU A 58 -8.631 -16.920 -0.740 1.00 0.00 O ATOM 0 H GLU A 58 -4.473 -13.456 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.082 -15.903 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.584 -13.577 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.541 -15.065 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.268 -14.505 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.829 -14.666 -2.759 1.00 0.00 H new ATOM 943 N GLY A 59 -4.176 -17.136 -1.888 1.00 0.00 N ATOM 944 CA GLY A 59 -3.171 -17.968 -2.528 1.00 0.00 C ATOM 945 C GLY A 59 -1.796 -17.755 -1.892 1.00 0.00 C ATOM 946 O GLY A 59 -1.376 -18.533 -1.037 1.00 0.00 O ATOM 0 H GLY A 59 -4.565 -17.522 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.455 -19.017 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.124 -17.734 -3.592 1.00 0.00 H new ATOM 950 N GLY A 60 -1.133 -16.696 -2.334 1.00 0.00 N ATOM 951 CA GLY A 60 0.186 -16.370 -1.819 1.00 0.00 C ATOM 952 C GLY A 60 0.471 -14.873 -1.951 1.00 0.00 C ATOM 953 O GLY A 60 1.627 -14.453 -1.919 1.00 0.00 O ATOM 0 H GLY A 60 -1.485 -16.053 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.255 -16.666 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.943 -16.937 -2.361 1.00 0.00 H new ATOM 957 N LYS A 61 -0.602 -14.109 -2.095 1.00 0.00 N ATOM 958 CA LYS A 61 -0.481 -12.667 -2.232 1.00 0.00 C ATOM 959 C LYS A 61 -1.550 -11.987 -1.375 1.00 0.00 C ATOM 960 O LYS A 61 -2.629 -12.540 -1.167 1.00 0.00 O ATOM 961 CB LYS A 61 -0.526 -12.263 -3.707 1.00 0.00 C ATOM 962 CG LYS A 61 0.601 -12.935 -4.494 1.00 0.00 C ATOM 963 CD LYS A 61 0.311 -12.911 -5.996 1.00 0.00 C ATOM 964 CE LYS A 61 0.161 -14.330 -6.548 1.00 0.00 C ATOM 965 NZ LYS A 61 -1.255 -14.613 -6.872 1.00 0.00 N ATOM 0 H LYS A 61 -1.559 -14.461 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 61 0.487 -12.329 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.489 -12.541 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.440 -11.180 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.543 -12.425 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.719 -13.966 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.601 -12.345 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.118 -12.397 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.775 -14.446 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.524 -15.052 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.339 -15.580 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.833 -14.522 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.590 -13.936 -7.587 1.00 0.00 H new ATOM 979 N VAL A 62 -1.214 -10.797 -0.900 1.00 0.00 N ATOM 980 CA VAL A 62 -2.131 -10.035 -0.071 1.00 0.00 C ATOM 981 C VAL A 62 -2.901 -9.043 -0.946 1.00 0.00 C ATOM 982 O VAL A 62 -2.302 -8.304 -1.726 1.00 0.00 O ATOM 983 CB VAL A 62 -1.368 -9.358 1.069 1.00 0.00 C ATOM 984 CG1 VAL A 62 -0.149 -10.187 1.480 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.959 -7.934 0.686 1.00 0.00 C ATOM 0 H VAL A 62 -0.318 -10.342 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.863 -10.696 0.393 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.036 -9.295 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.376 -9.684 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.475 -11.172 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.521 -10.296 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.418 -7.476 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.317 -7.964 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.850 -7.346 0.465 1.00 0.00 H new ATOM 995 N ARG A 63 -4.216 -9.060 -0.789 1.00 0.00 N ATOM 996 CA ARG A 63 -5.073 -8.172 -1.555 1.00 0.00 C ATOM 997 C ARG A 63 -5.407 -6.922 -0.739 1.00 0.00 C ATOM 998 O ARG A 63 -5.905 -7.022 0.382 1.00 0.00 O ATOM 999 CB ARG A 63 -6.373 -8.872 -1.957 1.00 0.00 C ATOM 1000 CG ARG A 63 -6.110 -9.957 -3.003 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.675 -9.341 -4.335 1.00 0.00 C ATOM 1002 NE ARG A 63 -6.646 -9.690 -5.395 1.00 0.00 N ATOM 1003 CZ ARG A 63 -6.664 -9.128 -6.612 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -5.765 -8.187 -6.928 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -7.582 -9.507 -7.511 1.00 0.00 N ATOM 0 H ARG A 63 -4.709 -9.675 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.532 -7.887 -2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.839 -9.315 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.076 -8.140 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.337 -10.635 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.012 -10.551 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.604 -8.258 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.683 -9.703 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.345 -10.403 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.067 -7.898 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.778 -7.759 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.267 -10.223 -7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.596 -9.080 -8.437 1.00 0.00 H new ATOM 1019 N LEU A 64 -5.120 -5.773 -1.332 1.00 0.00 N ATOM 1020 CA LEU A 64 -5.383 -4.504 -0.674 1.00 0.00 C ATOM 1021 C LEU A 64 -6.560 -3.812 -1.364 1.00 0.00 C ATOM 1022 O LEU A 64 -6.683 -3.860 -2.586 1.00 0.00 O ATOM 1023 CB LEU A 64 -4.113 -3.653 -0.622 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.894 -4.306 0.033 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -2.568 -5.646 -0.629 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -1.694 -3.357 0.027 1.00 0.00 C ATOM 0 H LEU A 64 -4.708 -5.694 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.672 -4.666 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.846 -3.372 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.339 -2.731 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.136 -4.512 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.698 -6.089 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.420 -6.318 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.353 -5.487 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.841 -3.846 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.441 -3.097 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.944 -2.451 0.579 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.395 -3.183 -0.549 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.558 -2.481 -1.066 1.00 0.00 C ATOM 1040 C TYR A 65 -8.800 -1.181 -0.296 1.00 0.00 C ATOM 1041 O TYR A 65 -9.021 -1.204 0.914 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.747 -3.418 -0.848 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.608 -4.773 -1.545 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.935 -4.900 -2.880 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.154 -5.869 -0.839 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.804 -6.175 -3.535 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -9.023 -7.144 -1.494 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.354 -7.234 -2.810 1.00 0.00 C ATOM 1049 OH TYR A 65 -9.230 -8.439 -3.430 1.00 0.00 O ATOM 0 H TYR A 65 -7.289 -3.145 0.465 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.416 -2.223 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.875 -3.583 0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.653 -2.928 -1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.289 -4.043 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.897 -5.770 0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.057 -6.288 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.670 -8.009 -0.953 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.028 -8.299 -4.379 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.752 -0.079 -1.030 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.964 1.228 -0.431 1.00 0.00 C ATOM 1061 C PHE A 66 -10.187 1.917 -1.039 1.00 0.00 C ATOM 1062 O PHE A 66 -10.379 1.893 -2.253 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.719 2.065 -0.733 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.456 1.584 -0.016 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.464 1.414 1.334 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.326 1.328 -0.727 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.292 0.967 2.000 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.154 0.882 -0.061 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.162 0.711 1.289 1.00 0.00 C ATOM 0 H PHE A 66 -8.570 -0.064 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.134 1.124 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.540 2.056 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.913 3.100 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.361 1.619 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.320 1.464 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.298 0.830 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.256 0.678 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.271 0.372 1.796 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.983 2.516 -0.165 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.183 3.211 -0.600 1.00 0.00 C ATOM 1081 C HIS A 67 -12.191 4.629 -0.026 1.00 0.00 C ATOM 1082 O HIS A 67 -12.237 4.810 1.190 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.436 2.414 -0.231 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.708 2.953 -0.842 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.041 4.296 -0.818 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.723 2.316 -1.493 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.206 4.449 -1.429 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.628 3.221 -1.846 1.00 0.00 N ATOM 0 H HIS A 67 -10.821 2.534 0.842 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.185 3.297 -1.687 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.303 1.380 -0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.542 2.404 0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.781 1.255 -1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.730 5.383 -1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.496 3.029 -2.347 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.146 5.599 -0.927 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.148 6.995 -0.526 1.00 0.00 C ATOM 1098 C VAL A 68 -13.292 7.724 -1.234 1.00 0.00 C ATOM 1099 O VAL A 68 -13.272 7.879 -2.454 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.779 7.621 -0.801 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.669 9.003 -0.155 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.651 6.702 -0.328 1.00 0.00 C ATOM 0 H VAL A 68 -12.108 5.445 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.321 7.083 0.547 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.678 7.747 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.687 9.426 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.440 9.657 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.801 8.912 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.689 7.171 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.747 6.530 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.712 5.750 -0.855 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.288 8.161 -0.418 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.438 8.870 -0.953 1.00 0.00 C ATOM 1114 C PRO A 69 -15.070 10.306 -1.332 1.00 0.00 C ATOM 1115 O PRO A 69 -15.160 10.686 -2.498 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.490 8.795 0.141 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.740 8.458 1.419 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.345 7.995 1.032 1.00 0.00 C ATOM 0 HA PRO A 69 -15.811 8.429 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.021 9.742 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.236 8.033 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.686 9.330 2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.261 7.677 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.578 8.589 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.179 6.957 1.319 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.662 11.064 -0.325 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.280 12.449 -0.538 1.00 0.00 C ATOM 1128 C ASP A 70 -13.204 12.516 -1.623 1.00 0.00 C ATOM 1129 O ASP A 70 -13.010 13.559 -2.246 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.702 13.064 0.739 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.565 12.886 1.990 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -15.780 13.161 1.885 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -13.990 12.480 3.023 1.00 0.00 O ATOM 0 H ASP A 70 -14.588 10.745 0.641 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.171 13.002 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.723 12.623 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.545 14.130 0.572 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.533 11.390 -1.817 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.482 11.308 -2.817 1.00 0.00 C ATOM 1140 C GLU A 71 -10.305 12.203 -2.424 1.00 0.00 C ATOM 1141 O GLU A 71 -9.711 12.861 -3.277 1.00 0.00 O ATOM 1142 CB GLU A 71 -12.014 11.677 -4.203 1.00 0.00 C ATOM 1143 CG GLU A 71 -12.473 10.431 -4.964 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.296 10.614 -6.473 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -11.225 11.129 -6.860 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -13.236 10.235 -7.204 1.00 0.00 O ATOM 0 H GLU A 71 -12.697 10.527 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.130 10.278 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.846 12.374 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.237 12.188 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.902 9.565 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.520 10.228 -4.739 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.004 12.200 -1.134 1.00 0.00 N ATOM 1154 CA ALA A 72 -8.909 13.003 -0.619 1.00 0.00 C ATOM 1155 C ALA A 72 -7.593 12.513 -1.225 1.00 0.00 C ATOM 1156 O ALA A 72 -7.328 11.312 -1.254 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.906 12.942 0.910 1.00 0.00 C ATOM 0 H ALA A 72 -10.500 11.654 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.033 14.048 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.084 13.545 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.851 13.329 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.781 11.908 1.233 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.781 13.492 -1.706 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.499 13.172 -2.309 1.00 0.00 C ATOM 1165 C PRO A 73 -4.469 12.795 -1.242 1.00 0.00 C ATOM 1166 O PRO A 73 -3.379 12.326 -1.565 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.113 14.415 -3.095 1.00 0.00 C ATOM 1168 CG PRO A 73 -5.958 15.545 -2.529 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.062 14.925 -1.688 1.00 0.00 C ATOM 0 HA PRO A 73 -5.548 12.302 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.050 14.631 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.305 14.279 -4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.346 16.213 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.382 16.145 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.053 15.318 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.046 15.141 -2.105 1.00 0.00 H new ATOM 1177 N THR A 74 -4.852 13.014 0.007 1.00 0.00 N ATOM 1178 CA THR A 74 -3.976 12.704 1.124 1.00 0.00 C ATOM 1179 C THR A 74 -4.311 11.325 1.697 1.00 0.00 C ATOM 1180 O THR A 74 -3.414 10.561 2.051 1.00 0.00 O ATOM 1181 CB THR A 74 -4.097 13.834 2.148 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.498 14.077 2.233 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.519 15.154 1.634 1.00 0.00 C ATOM 0 H THR A 74 -5.758 13.403 0.270 1.00 0.00 H new ATOM 0 HA THR A 74 -2.935 12.645 0.806 1.00 0.00 H new ATOM 0 HB THR A 74 -3.585 13.548 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.667 14.796 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.630 15.922 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.462 15.023 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.052 15.459 0.734 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.605 11.049 1.771 1.00 0.00 N ATOM 1192 CA VAL A 75 -6.070 9.777 2.296 1.00 0.00 C ATOM 1193 C VAL A 75 -5.797 8.676 1.269 1.00 0.00 C ATOM 1194 O VAL A 75 -5.455 7.552 1.633 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.546 9.879 2.685 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -8.139 8.494 2.955 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -7.733 10.800 3.891 1.00 0.00 C ATOM 0 H VAL A 75 -6.346 11.685 1.476 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.526 9.517 3.204 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.084 10.316 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.189 8.595 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.056 7.881 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.595 8.018 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.791 10.855 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.175 10.406 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.367 11.797 3.648 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.957 9.038 0.004 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.732 8.096 -1.078 1.00 0.00 C ATOM 1209 C LYS A 76 -4.228 7.952 -1.319 1.00 0.00 C ATOM 1210 O LYS A 76 -3.722 6.839 -1.454 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.517 8.513 -2.324 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.196 7.306 -2.974 1.00 0.00 C ATOM 1213 CD LYS A 76 -7.888 7.703 -4.279 1.00 0.00 C ATOM 1214 CE LYS A 76 -7.969 6.515 -5.241 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.379 6.130 -5.471 1.00 0.00 N ATOM 0 H LYS A 76 -6.240 9.971 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.108 7.109 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.268 9.255 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.845 8.986 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.456 6.531 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.926 6.881 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.891 8.071 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.342 8.520 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.497 6.774 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.417 5.669 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.416 5.323 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.818 5.863 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.896 6.933 -5.882 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.557 9.093 -1.366 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.121 9.108 -1.588 1.00 0.00 C ATOM 1231 C ALA A 77 -1.476 7.964 -0.803 1.00 0.00 C ATOM 1232 O ALA A 77 -0.919 7.039 -1.392 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.558 10.475 -1.195 1.00 0.00 C ATOM 0 H ALA A 77 -3.981 10.014 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.894 8.953 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.481 10.486 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.027 11.250 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.764 10.664 -0.142 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.573 8.065 0.515 1.00 0.00 N ATOM 1240 CA PHE A 78 -1.006 7.050 1.387 1.00 0.00 C ATOM 1241 C PHE A 78 -1.368 5.645 0.901 1.00 0.00 C ATOM 1242 O PHE A 78 -0.486 4.829 0.639 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.608 7.268 2.776 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.687 6.850 3.925 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.544 7.415 4.049 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -1.100 5.916 4.823 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.398 7.027 5.116 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.246 5.528 5.889 1.00 0.00 C ATOM 1249 CZ PHE A 78 0.985 6.093 6.013 1.00 0.00 C ATOM 0 H PHE A 78 -2.036 8.834 1.000 1.00 0.00 H new ATOM 0 HA PHE A 78 0.081 7.132 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.860 8.322 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.540 6.708 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.872 8.158 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.078 5.469 4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.376 7.474 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.574 4.785 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.634 5.799 6.824 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.667 5.407 0.796 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.157 4.115 0.346 1.00 0.00 C ATOM 1261 C ALA A 79 -2.262 3.600 -0.784 1.00 0.00 C ATOM 1262 O ALA A 79 -1.691 2.516 -0.683 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.620 4.244 -0.081 1.00 0.00 C ATOM 0 H ALA A 79 -3.395 6.087 1.015 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.117 3.386 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.987 3.275 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.217 4.584 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.699 4.965 -0.894 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.169 4.403 -1.834 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.354 4.042 -2.981 1.00 0.00 C ATOM 1271 C GLY A 80 0.067 3.676 -2.551 1.00 0.00 C ATOM 1272 O GLY A 80 0.690 2.794 -3.140 1.00 0.00 O ATOM 0 H GLY A 80 -2.644 5.302 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.808 3.200 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.322 4.874 -3.685 1.00 0.00 H new ATOM 1276 N LEU A 81 0.539 4.372 -1.527 1.00 0.00 N ATOM 1277 CA LEU A 81 1.876 4.131 -1.011 1.00 0.00 C ATOM 1278 C LEU A 81 1.954 2.708 -0.454 1.00 0.00 C ATOM 1279 O LEU A 81 2.947 2.012 -0.658 1.00 0.00 O ATOM 1280 CB LEU A 81 2.261 5.210 0.003 1.00 0.00 C ATOM 1281 CG LEU A 81 3.741 5.275 0.384 1.00 0.00 C ATOM 1282 CD1 LEU A 81 3.997 6.385 1.406 1.00 0.00 C ATOM 1283 CD2 LEU A 81 4.241 3.916 0.878 1.00 0.00 C ATOM 0 H LEU A 81 0.019 5.103 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 81 2.612 4.201 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.967 6.180 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.679 5.051 0.911 1.00 0.00 H new ATOM 0 HG LEU A 81 4.312 5.523 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.057 6.409 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.703 7.345 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.413 6.193 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.296 3.990 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.668 3.614 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.116 3.174 0.090 1.00 0.00 H new ATOM 1295 N LEU A 82 0.894 2.318 0.238 1.00 0.00 N ATOM 1296 CA LEU A 82 0.830 0.991 0.826 1.00 0.00 C ATOM 1297 C LEU A 82 0.894 -0.058 -0.286 1.00 0.00 C ATOM 1298 O LEU A 82 1.832 -0.851 -0.343 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.402 0.861 1.724 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.395 1.708 2.998 1.00 0.00 C ATOM 1301 CD1 LEU A 82 0.815 1.374 3.872 1.00 0.00 C ATOM 1302 CD2 LEU A 82 -0.468 3.200 2.665 1.00 0.00 C ATOM 0 H LEU A 82 0.072 2.898 0.405 1.00 0.00 H new ATOM 0 HA LEU A 82 1.688 0.821 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.283 1.127 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.512 -0.186 2.008 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.286 1.463 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.796 1.990 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.782 0.321 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.731 1.572 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.462 3.780 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.391 3.479 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.386 3.405 2.114 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.117 -0.028 -1.143 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.187 -0.966 -2.250 1.00 0.00 C ATOM 1316 C ARG A 83 1.095 -0.902 -3.083 1.00 0.00 C ATOM 1317 O ARG A 83 1.587 -1.927 -3.551 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.387 -0.666 -3.151 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.329 0.767 -3.683 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.467 1.032 -4.671 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.769 0.732 -4.034 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.397 -0.448 -4.128 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -3.847 -1.446 -4.833 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -5.576 -0.631 -3.517 1.00 0.00 N ATOM 0 H ARG A 83 -0.894 0.631 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.302 -1.965 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.404 -1.367 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.311 -0.813 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.393 1.470 -2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.370 0.938 -4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.443 2.072 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.338 0.417 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.216 1.470 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.950 -1.308 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.325 -2.344 -4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.996 0.128 -2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.054 -1.529 -3.589 1.00 0.00 H new ATOM 1338 N GLU A 84 1.599 0.313 -3.243 1.00 0.00 N ATOM 1339 CA GLU A 84 2.814 0.524 -4.011 1.00 0.00 C ATOM 1340 C GLU A 84 3.798 -0.623 -3.773 1.00 0.00 C ATOM 1341 O GLU A 84 4.241 -1.271 -4.720 1.00 0.00 O ATOM 1342 CB GLU A 84 3.451 1.873 -3.669 1.00 0.00 C ATOM 1343 CG GLU A 84 3.125 2.919 -4.737 1.00 0.00 C ATOM 1344 CD GLU A 84 3.666 2.494 -6.104 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.909 2.475 -6.241 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.826 2.198 -6.980 1.00 0.00 O ATOM 0 H GLU A 84 1.188 1.161 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 84 2.554 0.540 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.090 2.214 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.532 1.758 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.046 3.059 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.556 3.879 -4.454 1.00 0.00 H new ATOM 1353 N GLY A 85 4.111 -0.838 -2.504 1.00 0.00 N ATOM 1354 CA GLY A 85 5.035 -1.895 -2.130 1.00 0.00 C ATOM 1355 C GLY A 85 4.403 -2.838 -1.103 1.00 0.00 C ATOM 1356 O GLY A 85 5.023 -3.166 -0.093 1.00 0.00 O ATOM 0 H GLY A 85 3.741 -0.298 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.326 -2.459 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.944 -1.459 -1.717 1.00 0.00 H new ATOM 1360 N LEU A 86 3.177 -3.246 -1.398 1.00 0.00 N ATOM 1361 CA LEU A 86 2.455 -4.144 -0.513 1.00 0.00 C ATOM 1362 C LEU A 86 1.398 -4.904 -1.317 1.00 0.00 C ATOM 1363 O LEU A 86 1.215 -6.106 -1.129 1.00 0.00 O ATOM 1364 CB LEU A 86 1.884 -3.376 0.681 1.00 0.00 C ATOM 1365 CG LEU A 86 2.884 -2.532 1.475 1.00 0.00 C ATOM 1366 CD1 LEU A 86 2.162 -1.598 2.447 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.907 -3.419 2.186 1.00 0.00 C ATOM 0 H LEU A 86 2.666 -2.971 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 86 3.131 -4.887 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.091 -2.721 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.422 -4.092 1.361 1.00 0.00 H new ATOM 0 HG LEU A 86 3.434 -1.905 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.895 -1.010 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.506 -0.930 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.570 -2.188 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.606 -2.794 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.392 -4.089 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.454 -4.007 1.449 1.00 0.00 H new ATOM 1379 N GLU A 87 0.729 -4.172 -2.196 1.00 0.00 N ATOM 1380 CA GLU A 87 -0.304 -4.762 -3.029 1.00 0.00 C ATOM 1381 C GLU A 87 0.294 -5.844 -3.931 1.00 0.00 C ATOM 1382 O GLU A 87 1.073 -5.543 -4.834 1.00 0.00 O ATOM 1383 CB GLU A 87 -1.019 -3.692 -3.857 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.931 -4.329 -4.907 1.00 0.00 C ATOM 1385 CD GLU A 87 -1.516 -3.910 -6.320 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -1.931 -2.804 -6.728 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -0.795 -4.706 -6.959 1.00 0.00 O ATOM 0 H GLU A 87 0.883 -3.175 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.045 -5.227 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.607 -3.052 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.283 -3.055 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.890 -5.415 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.964 -4.033 -4.725 1.00 0.00 H new ATOM 1394 N GLY A 88 -0.094 -7.080 -3.654 1.00 0.00 N ATOM 1395 CA GLY A 88 0.394 -8.208 -4.429 1.00 0.00 C ATOM 1396 C GLY A 88 1.561 -8.898 -3.718 1.00 0.00 C ATOM 1397 O GLY A 88 2.006 -9.965 -4.139 1.00 0.00 O ATOM 0 H GLY A 88 -0.740 -7.325 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.414 -8.922 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.714 -7.866 -5.413 1.00 0.00 H new ATOM 1401 N GLU A 89 2.023 -8.260 -2.653 1.00 0.00 N ATOM 1402 CA GLU A 89 3.130 -8.798 -1.880 1.00 0.00 C ATOM 1403 C GLU A 89 2.664 -9.996 -1.050 1.00 0.00 C ATOM 1404 O GLU A 89 1.575 -10.524 -1.271 1.00 0.00 O ATOM 1405 CB GLU A 89 3.750 -7.721 -0.988 1.00 0.00 C ATOM 1406 CG GLU A 89 3.053 -7.668 0.373 1.00 0.00 C ATOM 1407 CD GLU A 89 4.058 -7.853 1.512 1.00 0.00 C ATOM 1408 OE1 GLU A 89 4.427 -9.021 1.759 1.00 0.00 O ATOM 1409 OE2 GLU A 89 4.434 -6.822 2.110 1.00 0.00 O ATOM 0 H GLU A 89 1.651 -7.375 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 89 3.901 -9.138 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.812 -7.926 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.674 -6.750 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.541 -6.712 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.291 -8.446 0.426 1.00 0.00 H new ATOM 1416 N SER A 90 3.512 -10.392 -0.112 1.00 0.00 N ATOM 1417 CA SER A 90 3.201 -11.518 0.752 1.00 0.00 C ATOM 1418 C SER A 90 2.518 -11.025 2.029 1.00 0.00 C ATOM 1419 O SER A 90 2.554 -9.834 2.336 1.00 0.00 O ATOM 1420 CB SER A 90 4.463 -12.312 1.097 1.00 0.00 C ATOM 1421 OG SER A 90 5.650 -11.607 0.744 1.00 0.00 O ATOM 0 H SER A 90 4.415 -9.953 0.069 1.00 0.00 H new ATOM 0 HA SER A 90 2.521 -12.182 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.474 -12.529 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.442 -13.270 0.577 1.00 0.00 H new ATOM 0 HG SER A 90 6.433 -12.146 0.982 1.00 0.00 H new ATOM 1427 N PRO A 91 1.896 -11.990 2.757 1.00 0.00 N ATOM 1428 CA PRO A 91 1.205 -11.666 3.994 1.00 0.00 C ATOM 1429 C PRO A 91 2.201 -11.406 5.126 1.00 0.00 C ATOM 1430 O PRO A 91 1.824 -10.916 6.189 1.00 0.00 O ATOM 1431 CB PRO A 91 0.299 -12.856 4.262 1.00 0.00 C ATOM 1432 CG PRO A 91 0.852 -13.998 3.425 1.00 0.00 C ATOM 1433 CD PRO A 91 1.833 -13.410 2.424 1.00 0.00 C ATOM 0 HA PRO A 91 0.623 -10.747 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.296 -13.114 5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.731 -12.632 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.349 -14.731 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.045 -14.518 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.813 -13.880 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.492 -13.562 1.400 1.00 0.00 H new ATOM 1441 N GLU A 92 3.454 -11.745 4.858 1.00 0.00 N ATOM 1442 CA GLU A 92 4.507 -11.554 5.841 1.00 0.00 C ATOM 1443 C GLU A 92 5.224 -10.225 5.599 1.00 0.00 C ATOM 1444 O GLU A 92 5.323 -9.395 6.502 1.00 0.00 O ATOM 1445 CB GLU A 92 5.495 -12.722 5.820 1.00 0.00 C ATOM 1446 CG GLU A 92 4.763 -14.062 5.929 1.00 0.00 C ATOM 1447 CD GLU A 92 5.069 -14.746 7.263 1.00 0.00 C ATOM 1448 OE1 GLU A 92 5.193 -14.009 8.264 1.00 0.00 O ATOM 1449 OE2 GLU A 92 5.173 -15.992 7.250 1.00 0.00 O ATOM 0 H GLU A 92 3.763 -12.151 3.975 1.00 0.00 H new ATOM 0 HA GLU A 92 4.052 -11.524 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.076 -12.695 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.201 -12.621 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.689 -13.902 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.061 -14.712 5.106 1.00 0.00 H new ATOM 1456 N ALA A 93 5.707 -10.063 4.376 1.00 0.00 N ATOM 1457 CA ALA A 93 6.412 -8.849 4.004 1.00 0.00 C ATOM 1458 C ALA A 93 5.540 -7.636 4.334 1.00 0.00 C ATOM 1459 O ALA A 93 6.053 -6.542 4.562 1.00 0.00 O ATOM 1460 CB ALA A 93 6.788 -8.910 2.522 1.00 0.00 C ATOM 0 H ALA A 93 5.624 -10.753 3.630 1.00 0.00 H new ATOM 0 HA ALA A 93 7.338 -8.754 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.317 -7.999 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.431 -9.772 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.884 -9.003 1.921 1.00 0.00 H new ATOM 1466 N VAL A 94 4.236 -7.871 4.349 1.00 0.00 N ATOM 1467 CA VAL A 94 3.288 -6.812 4.648 1.00 0.00 C ATOM 1468 C VAL A 94 3.360 -6.474 6.138 1.00 0.00 C ATOM 1469 O VAL A 94 3.598 -5.325 6.506 1.00 0.00 O ATOM 1470 CB VAL A 94 1.885 -7.222 4.195 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.813 -6.553 5.057 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.673 -6.907 2.713 1.00 0.00 C ATOM 0 H VAL A 94 3.814 -8.780 4.159 1.00 0.00 H new ATOM 0 HA VAL A 94 3.541 -5.906 4.097 1.00 0.00 H new ATOM 0 HB VAL A 94 1.793 -8.300 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.175 -6.861 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.945 -6.850 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.904 -5.470 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.668 -7.208 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.794 -5.836 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.405 -7.452 2.117 1.00 0.00 H new ATOM 1482 N LEU A 95 3.150 -7.495 6.955 1.00 0.00 N ATOM 1483 CA LEU A 95 3.188 -7.321 8.397 1.00 0.00 C ATOM 1484 C LEU A 95 4.551 -6.754 8.802 1.00 0.00 C ATOM 1485 O LEU A 95 4.647 -5.976 9.749 1.00 0.00 O ATOM 1486 CB LEU A 95 2.832 -8.629 9.105 1.00 0.00 C ATOM 1487 CG LEU A 95 1.344 -8.858 9.382 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.805 -7.822 10.369 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.541 -8.882 8.079 1.00 0.00 C ATOM 0 H LEU A 95 2.953 -8.447 6.646 1.00 0.00 H new ATOM 0 HA LEU A 95 2.435 -6.600 8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.201 -9.458 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.367 -8.663 10.054 1.00 0.00 H new ATOM 0 HG LEU A 95 1.229 -9.837 9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.254 -8.007 10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.351 -7.897 11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.933 -6.822 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.513 -9.046 8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.658 -7.929 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.906 -9.688 7.442 1.00 0.00 H new ATOM 1501 N GLU A 96 5.570 -7.166 8.063 1.00 0.00 N ATOM 1502 CA GLU A 96 6.923 -6.710 8.333 1.00 0.00 C ATOM 1503 C GLU A 96 6.996 -5.184 8.245 1.00 0.00 C ATOM 1504 O GLU A 96 7.974 -4.579 8.681 1.00 0.00 O ATOM 1505 CB GLU A 96 7.923 -7.362 7.377 1.00 0.00 C ATOM 1506 CG GLU A 96 8.048 -8.862 7.653 1.00 0.00 C ATOM 1507 CD GLU A 96 9.128 -9.139 8.700 1.00 0.00 C ATOM 1508 OE1 GLU A 96 9.984 -8.246 8.882 1.00 0.00 O ATOM 1509 OE2 GLU A 96 9.073 -10.236 9.296 1.00 0.00 O ATOM 0 H GLU A 96 5.486 -7.811 7.277 1.00 0.00 H new ATOM 0 HA GLU A 96 7.191 -7.010 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.603 -7.204 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.898 -6.886 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.091 -9.252 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.290 -9.387 6.729 1.00 0.00 H new ATOM 1516 N VAL A 97 5.947 -4.605 7.677 1.00 0.00 N ATOM 1517 CA VAL A 97 5.880 -3.162 7.526 1.00 0.00 C ATOM 1518 C VAL A 97 5.378 -2.540 8.831 1.00 0.00 C ATOM 1519 O VAL A 97 4.248 -2.791 9.248 1.00 0.00 O ATOM 1520 CB VAL A 97 5.012 -2.802 6.319 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.000 -1.290 6.084 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.476 -3.548 5.067 1.00 0.00 C ATOM 0 H VAL A 97 5.137 -5.110 7.316 1.00 0.00 H new ATOM 0 HA VAL A 97 6.871 -2.752 7.330 1.00 0.00 H new ATOM 0 HB VAL A 97 3.991 -3.116 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.376 -1.061 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.599 -0.788 6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.016 -0.942 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.842 -3.274 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.509 -3.280 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.408 -4.622 5.238 1.00 0.00 H new ATOM 1532 N PRO A 98 6.265 -1.719 9.455 1.00 0.00 N ATOM 1533 CA PRO A 98 5.923 -1.059 10.704 1.00 0.00 C ATOM 1534 C PRO A 98 4.962 0.106 10.463 1.00 0.00 C ATOM 1535 O PRO A 98 4.663 0.442 9.318 1.00 0.00 O ATOM 1536 CB PRO A 98 7.253 -0.620 11.293 1.00 0.00 C ATOM 1537 CG PRO A 98 8.245 -0.634 10.141 1.00 0.00 C ATOM 1538 CD PRO A 98 7.611 -1.399 8.990 1.00 0.00 C ATOM 0 HA PRO A 98 5.393 -1.714 11.395 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.177 0.375 11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.569 -1.294 12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.489 0.383 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.178 -1.108 10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.584 -0.797 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.175 -2.302 8.757 1.00 0.00 H new ATOM 1546 N PRO A 99 4.492 0.706 11.589 1.00 0.00 N ATOM 1547 CA PRO A 99 3.570 1.826 11.512 1.00 0.00 C ATOM 1548 C PRO A 99 4.297 3.106 11.092 1.00 0.00 C ATOM 1549 O PRO A 99 3.677 4.037 10.581 1.00 0.00 O ATOM 1550 CB PRO A 99 2.950 1.922 12.896 1.00 0.00 C ATOM 1551 CG PRO A 99 3.880 1.157 13.823 1.00 0.00 C ATOM 1552 CD PRO A 99 4.824 0.334 12.962 1.00 0.00 C ATOM 0 HA PRO A 99 2.799 1.685 10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.854 2.961 13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.948 1.492 12.906 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.442 1.846 14.454 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.308 0.510 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.866 0.557 13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.682 -0.734 13.128 1.00 0.00 H new ATOM 1560 N GLY A 100 5.601 3.111 11.325 1.00 0.00 N ATOM 1561 CA GLY A 100 6.419 4.261 10.977 1.00 0.00 C ATOM 1562 C GLY A 100 7.361 3.933 9.817 1.00 0.00 C ATOM 1563 O GLY A 100 8.497 4.404 9.784 1.00 0.00 O ATOM 0 H GLY A 100 6.112 2.337 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.777 5.099 10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.000 4.574 11.844 1.00 0.00 H new ATOM 1567 N PHE A 101 6.855 3.128 8.895 1.00 0.00 N ATOM 1568 CA PHE A 101 7.637 2.731 7.736 1.00 0.00 C ATOM 1569 C PHE A 101 7.826 3.906 6.774 1.00 0.00 C ATOM 1570 O PHE A 101 8.577 3.804 5.805 1.00 0.00 O ATOM 1571 CB PHE A 101 6.855 1.626 7.025 1.00 0.00 C ATOM 1572 CG PHE A 101 5.619 2.123 6.273 1.00 0.00 C ATOM 1573 CD1 PHE A 101 4.446 2.303 6.937 1.00 0.00 C ATOM 1574 CD2 PHE A 101 5.694 2.386 4.940 1.00 0.00 C ATOM 1575 CE1 PHE A 101 3.299 2.765 6.238 1.00 0.00 C ATOM 1576 CE2 PHE A 101 4.547 2.848 4.242 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.373 3.027 4.906 1.00 0.00 C ATOM 0 H PHE A 101 5.912 2.739 8.927 1.00 0.00 H new ATOM 0 HA PHE A 101 8.624 2.392 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.517 1.122 6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.546 0.883 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.387 2.095 7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.626 2.243 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.367 2.908 6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.606 3.057 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.500 3.377 4.375 1.00 0.00 H new ATOM 1587 N TYR A 102 7.133 4.994 7.076 1.00 0.00 N ATOM 1588 CA TYR A 102 7.215 6.186 6.250 1.00 0.00 C ATOM 1589 C TYR A 102 8.173 7.211 6.861 1.00 0.00 C ATOM 1590 O TYR A 102 8.607 8.141 6.182 1.00 0.00 O ATOM 1591 CB TYR A 102 5.804 6.778 6.222 1.00 0.00 C ATOM 1592 CG TYR A 102 5.157 6.910 7.603 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.653 7.821 8.513 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.078 6.118 7.938 1.00 0.00 C ATOM 1595 CE1 TYR A 102 5.045 7.945 9.812 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.470 6.242 9.237 1.00 0.00 C ATOM 1597 CZ TYR A 102 3.983 7.150 10.110 1.00 0.00 C ATOM 1598 OH TYR A 102 3.408 7.267 11.337 1.00 0.00 O ATOM 0 H TYR A 102 6.512 5.075 7.881 1.00 0.00 H new ATOM 0 HA TYR A 102 7.584 5.939 5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.843 7.762 5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.171 6.152 5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.497 8.441 8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.690 5.405 7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.424 8.654 10.534 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.625 5.628 9.512 1.00 0.00 H new ATOM 0 HH TYR A 102 2.659 7.898 11.289 1.00 0.00 H new ATOM 1608 N ARG A 103 8.474 7.007 8.134 1.00 0.00 N ATOM 1609 CA ARG A 103 9.372 7.901 8.844 1.00 0.00 C ATOM 1610 C ARG A 103 10.689 8.049 8.078 1.00 0.00 C ATOM 1611 O ARG A 103 11.114 7.126 7.384 1.00 0.00 O ATOM 1612 CB ARG A 103 9.666 7.384 10.253 1.00 0.00 C ATOM 1613 CG ARG A 103 8.467 7.603 11.179 1.00 0.00 C ATOM 1614 CD ARG A 103 8.925 7.923 12.603 1.00 0.00 C ATOM 1615 NE ARG A 103 7.803 8.498 13.378 1.00 0.00 N ATOM 1616 CZ ARG A 103 6.882 7.767 14.021 1.00 0.00 C ATOM 1617 NH1 ARG A 103 6.944 6.429 13.985 1.00 0.00 N ATOM 1618 NH2 ARG A 103 5.899 8.373 14.700 1.00 0.00 N ATOM 0 H ARG A 103 8.112 6.235 8.693 1.00 0.00 H new ATOM 0 HA ARG A 103 8.880 8.871 8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.909 6.322 10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.540 7.895 10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.854 8.420 10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.841 6.711 11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.287 7.017 13.089 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.758 8.626 12.577 1.00 0.00 H new ATOM 0 HE ARG A 103 7.726 9.514 13.426 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.692 5.967 13.468 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.243 5.873 14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.851 9.391 14.728 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.198 7.816 15.189 1.00 0.00 H new ATOM 1632 N GLY A 104 11.297 9.216 8.230 1.00 0.00 N ATOM 1633 CA GLY A 104 12.556 9.496 7.561 1.00 0.00 C ATOM 1634 C GLY A 104 12.420 9.335 6.045 1.00 0.00 C ATOM 1635 O GLY A 104 12.891 8.351 5.477 1.00 0.00 O ATOM 0 H GLY A 104 10.941 9.979 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.878 10.511 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.328 8.822 7.934 1.00 0.00 H new ATOM 1639 N TYR A 105 11.774 10.317 5.434 1.00 0.00 N ATOM 1640 CA TYR A 105 11.569 10.297 3.996 1.00 0.00 C ATOM 1641 C TYR A 105 10.964 11.615 3.509 1.00 0.00 C ATOM 1642 O TYR A 105 11.425 12.187 2.523 1.00 0.00 O ATOM 1643 CB TYR A 105 10.577 9.163 3.727 1.00 0.00 C ATOM 1644 CG TYR A 105 11.230 7.788 3.572 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.280 7.618 2.693 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.769 6.719 4.312 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.895 6.324 2.548 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.384 5.424 4.167 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.416 5.291 3.292 1.00 0.00 C ATOM 1650 OH TYR A 105 12.997 4.069 3.154 1.00 0.00 O ATOM 0 H TYR A 105 11.386 11.132 5.909 1.00 0.00 H new ATOM 0 HA TYR A 105 12.516 10.156 3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.858 9.122 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.017 9.392 2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.641 8.455 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.947 6.853 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.718 6.177 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.033 4.579 4.740 1.00 0.00 H new ATOM 0 HH TYR A 105 12.554 3.427 3.747 1.00 0.00 H new ATOM 1660 N GLY A 106 9.940 12.058 4.224 1.00 0.00 N ATOM 1661 CA GLY A 106 9.267 13.298 3.877 1.00 0.00 C ATOM 1662 C GLY A 106 7.781 13.235 4.239 1.00 0.00 C ATOM 1663 O GLY A 106 7.191 14.241 4.630 1.00 0.00 O ATOM 0 H GLY A 106 9.560 11.581 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.738 14.130 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.377 13.490 2.810 1.00 0.00 H new ATOM 1667 N LEU A 107 7.220 12.043 4.095 1.00 0.00 N ATOM 1668 CA LEU A 107 5.815 11.836 4.402 1.00 0.00 C ATOM 1669 C LEU A 107 5.557 12.206 5.864 1.00 0.00 C ATOM 1670 O LEU A 107 4.410 12.402 6.265 1.00 0.00 O ATOM 1671 CB LEU A 107 5.394 10.409 4.045 1.00 0.00 C ATOM 1672 CG LEU A 107 6.092 9.787 2.834 1.00 0.00 C ATOM 1673 CD1 LEU A 107 7.129 8.751 3.272 1.00 0.00 C ATOM 1674 CD2 LEU A 107 5.073 9.199 1.856 1.00 0.00 C ATOM 0 H LEU A 107 7.713 11.211 3.770 1.00 0.00 H new ATOM 0 HA LEU A 107 5.191 12.490 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.574 9.771 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.319 10.403 3.863 1.00 0.00 H new ATOM 0 HG LEU A 107 6.627 10.576 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.611 8.324 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.880 9.231 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.636 7.959 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.596 8.763 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.490 8.427 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.406 9.988 1.508 1.00 0.00 H new ATOM 1686 N GLU A 108 6.641 12.290 6.620 1.00 0.00 N ATOM 1687 CA GLU A 108 6.546 12.633 8.029 1.00 0.00 C ATOM 1688 C GLU A 108 5.971 14.041 8.195 1.00 0.00 C ATOM 1689 O GLU A 108 5.168 14.286 9.094 1.00 0.00 O ATOM 1690 CB GLU A 108 7.908 12.513 8.716 1.00 0.00 C ATOM 1691 CG GLU A 108 7.746 12.222 10.209 1.00 0.00 C ATOM 1692 CD GLU A 108 8.924 12.782 11.008 1.00 0.00 C ATOM 1693 OE1 GLU A 108 9.481 13.806 10.556 1.00 0.00 O ATOM 1694 OE2 GLU A 108 9.241 12.174 12.053 1.00 0.00 O ATOM 0 H GLU A 108 7.590 12.127 6.284 1.00 0.00 H new ATOM 0 HA GLU A 108 5.870 11.926 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.487 11.717 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.470 13.437 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.816 12.661 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.673 11.146 10.368 1.00 0.00 H new ATOM 1701 N GLU A 109 6.405 14.931 7.314 1.00 0.00 N ATOM 1702 CA GLU A 109 5.944 16.308 7.352 1.00 0.00 C ATOM 1703 C GLU A 109 4.762 16.498 6.399 1.00 0.00 C ATOM 1704 O GLU A 109 3.754 17.099 6.766 1.00 0.00 O ATOM 1705 CB GLU A 109 7.080 17.277 7.017 1.00 0.00 C ATOM 1706 CG GLU A 109 8.152 17.262 8.108 1.00 0.00 C ATOM 1707 CD GLU A 109 9.049 18.498 8.012 1.00 0.00 C ATOM 1708 OE1 GLU A 109 10.048 18.418 7.265 1.00 0.00 O ATOM 1709 OE2 GLU A 109 8.715 19.495 8.688 1.00 0.00 O ATOM 0 H GLU A 109 7.071 14.725 6.570 1.00 0.00 H new ATOM 0 HA GLU A 109 5.609 16.530 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.526 17.004 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.682 18.286 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.677 17.228 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.758 16.361 8.015 1.00 0.00 H new ATOM 1716 N PHE A 110 4.926 15.975 5.192 1.00 0.00 N ATOM 1717 CA PHE A 110 3.886 16.079 4.184 1.00 0.00 C ATOM 1718 C PHE A 110 2.507 15.804 4.787 1.00 0.00 C ATOM 1719 O PHE A 110 1.612 16.644 4.709 1.00 0.00 O ATOM 1720 CB PHE A 110 4.185 15.020 3.121 1.00 0.00 C ATOM 1721 CG PHE A 110 4.397 15.590 1.717 1.00 0.00 C ATOM 1722 CD1 PHE A 110 3.655 16.648 1.293 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.327 15.038 0.892 1.00 0.00 C ATOM 1724 CE1 PHE A 110 3.852 17.177 -0.010 1.00 0.00 C ATOM 1725 CE2 PHE A 110 5.524 15.567 -0.411 1.00 0.00 C ATOM 1726 CZ PHE A 110 4.782 16.625 -0.834 1.00 0.00 C ATOM 0 H PHE A 110 5.764 15.478 4.890 1.00 0.00 H new ATOM 0 HA PHE A 110 3.875 17.085 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.076 14.466 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.361 14.307 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.916 17.086 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 110 5.916 14.197 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.263 18.018 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.263 15.129 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.931 17.027 -1.825 1.00 0.00 H new ATOM 1736 N PHE A 111 2.379 14.624 5.376 1.00 0.00 N ATOM 1737 CA PHE A 111 1.125 14.227 5.992 1.00 0.00 C ATOM 1738 C PHE A 111 1.059 14.691 7.449 1.00 0.00 C ATOM 1739 O PHE A 111 0.216 14.226 8.215 1.00 0.00 O ATOM 1740 CB PHE A 111 1.071 12.698 5.954 1.00 0.00 C ATOM 1741 CG PHE A 111 1.088 12.110 4.541 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.079 11.929 3.867 1.00 0.00 C ATOM 1743 CD2 PHE A 111 2.269 11.769 3.961 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.064 11.384 2.556 1.00 0.00 C ATOM 1745 CE2 PHE A 111 2.284 11.224 2.650 1.00 0.00 C ATOM 1746 CZ PHE A 111 1.118 11.042 1.975 1.00 0.00 C ATOM 0 H PHE A 111 3.124 13.930 5.439 1.00 0.00 H new ATOM 0 HA PHE A 111 0.289 14.677 5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.919 12.301 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.168 12.364 6.465 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.017 12.200 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.196 11.913 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.991 11.241 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.222 10.954 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.130 10.626 0.978 1.00 0.00 H new ATOM 1756 N THR A 112 1.959 15.602 7.787 1.00 0.00 N ATOM 1757 CA THR A 112 2.014 16.134 9.138 1.00 0.00 C ATOM 1758 C THR A 112 2.122 14.997 10.156 1.00 0.00 C ATOM 1759 O THR A 112 1.939 13.831 9.810 1.00 0.00 O ATOM 1760 CB THR A 112 0.784 17.021 9.347 1.00 0.00 C ATOM 1761 OG1 THR A 112 -0.225 16.117 9.787 1.00 0.00 O ATOM 1762 CG2 THR A 112 0.236 17.581 8.033 1.00 0.00 C ATOM 0 H THR A 112 2.656 15.985 7.149 1.00 0.00 H new ATOM 0 HA THR A 112 2.904 16.746 9.286 1.00 0.00 H new ATOM 0 HB THR A 112 1.039 17.845 10.014 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.050 15.226 9.418 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.636 18.203 8.238 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.004 18.182 7.545 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.051 16.758 7.378 1.00 0.00 H new ATOM 1770 N PRO A 113 2.427 15.386 11.423 1.00 0.00 N ATOM 1771 CA PRO A 113 2.562 14.413 12.493 1.00 0.00 C ATOM 1772 C PRO A 113 1.192 13.899 12.943 1.00 0.00 C ATOM 1773 O PRO A 113 1.042 12.721 13.265 1.00 0.00 O ATOM 1774 CB PRO A 113 3.314 15.140 13.595 1.00 0.00 C ATOM 1775 CG PRO A 113 3.165 16.623 13.292 1.00 0.00 C ATOM 1776 CD PRO A 113 2.650 16.758 11.869 1.00 0.00 C ATOM 0 HA PRO A 113 3.104 13.520 12.182 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.902 14.898 14.575 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.364 14.848 13.610 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.473 17.089 13.994 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.122 17.133 13.402 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.729 17.340 11.835 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.373 17.268 11.233 1.00 0.00 H new ATOM 1784 N LEU A 114 0.228 14.808 12.950 1.00 0.00 N ATOM 1785 CA LEU A 114 -1.124 14.462 13.355 1.00 0.00 C ATOM 1786 C LEU A 114 -1.736 13.517 12.319 1.00 0.00 C ATOM 1787 O LEU A 114 -1.942 12.336 12.596 1.00 0.00 O ATOM 1788 CB LEU A 114 -1.950 15.726 13.599 1.00 0.00 C ATOM 1789 CG LEU A 114 -2.387 15.973 15.045 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -3.272 14.833 15.553 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -1.176 16.207 15.951 1.00 0.00 C ATOM 0 H LEU A 114 0.356 15.784 12.682 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.112 13.929 14.306 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.370 16.586 13.264 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.842 15.680 12.974 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.988 16.882 15.070 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.568 15.034 16.583 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.161 14.757 14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.717 13.896 15.511 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.514 16.380 16.973 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.528 15.331 15.926 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.622 17.077 15.600 1.00 0.00 H new ATOM 1803 N ARG A 115 -2.009 14.072 11.148 1.00 0.00 N ATOM 1804 CA ARG A 115 -2.594 13.294 10.069 1.00 0.00 C ATOM 1805 C ARG A 115 -1.981 11.892 10.033 1.00 0.00 C ATOM 1806 O ARG A 115 -2.695 10.902 9.885 1.00 0.00 O ATOM 1807 CB ARG A 115 -2.373 13.974 8.716 1.00 0.00 C ATOM 1808 CG ARG A 115 -3.707 14.340 8.062 1.00 0.00 C ATOM 1809 CD ARG A 115 -3.822 13.721 6.668 1.00 0.00 C ATOM 1810 NE ARG A 115 -4.962 14.321 5.940 1.00 0.00 N ATOM 1811 CZ ARG A 115 -6.248 14.081 6.230 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -6.566 13.253 7.234 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -7.217 14.670 5.515 1.00 0.00 N ATOM 0 H ARG A 115 -1.836 15.052 10.922 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.665 13.222 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -1.771 14.873 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.812 13.310 8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.530 13.993 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.796 15.424 7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.899 13.883 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.959 12.643 6.750 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.756 14.957 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.829 12.805 7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -7.545 13.071 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.975 15.301 4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.196 14.488 5.735 1.00 0.00 H new ATOM 1827 N LEU A 116 -0.663 11.854 10.170 1.00 0.00 N ATOM 1828 CA LEU A 116 0.054 10.590 10.155 1.00 0.00 C ATOM 1829 C LEU A 116 -0.707 9.567 11.001 1.00 0.00 C ATOM 1830 O LEU A 116 -1.089 8.508 10.505 1.00 0.00 O ATOM 1831 CB LEU A 116 1.506 10.793 10.593 1.00 0.00 C ATOM 1832 CG LEU A 116 2.518 11.029 9.471 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.874 11.456 10.037 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.635 9.799 8.570 1.00 0.00 C ATOM 0 H LEU A 116 -0.074 12.678 10.292 1.00 0.00 H new ATOM 0 HA LEU A 116 0.104 10.192 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.544 11.643 11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.820 9.916 11.160 1.00 0.00 H new ATOM 0 HG LEU A 116 2.155 11.849 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.575 11.617 9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.757 12.380 10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.256 10.675 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.361 9.994 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.963 8.944 9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.664 9.581 8.124 1.00 0.00 H new ATOM 1846 N ARG A 117 -0.903 9.919 12.263 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.611 9.045 13.182 1.00 0.00 C ATOM 1848 C ARG A 117 -2.782 8.363 12.471 1.00 0.00 C ATOM 1849 O ARG A 117 -2.859 7.136 12.431 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.139 9.824 14.388 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.037 10.040 15.427 1.00 0.00 C ATOM 1852 CD ARG A 117 -0.053 11.117 14.967 1.00 0.00 C ATOM 1853 NE ARG A 117 0.724 11.620 16.122 1.00 0.00 N ATOM 1854 CZ ARG A 117 1.673 10.915 16.753 1.00 0.00 C ATOM 1855 NH1 ARG A 117 1.969 9.673 16.344 1.00 0.00 N ATOM 1856 NH2 ARG A 117 2.327 11.451 17.792 1.00 0.00 N ATOM 0 H ARG A 117 -0.584 10.798 12.671 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.905 8.291 13.532 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.529 10.788 14.060 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.969 9.282 14.841 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.482 10.331 16.379 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -0.504 9.104 15.597 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.622 10.708 14.215 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.594 11.938 14.497 1.00 0.00 H new ATOM 0 HE ARG A 117 0.525 12.562 16.459 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.472 9.265 15.552 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.691 9.136 16.824 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.103 12.396 18.103 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.049 10.914 18.272 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.665 9.189 11.929 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.828 8.681 11.222 1.00 0.00 C ATOM 1872 C GLY A 118 -4.414 7.735 10.093 1.00 0.00 C ATOM 1873 O GLY A 118 -5.089 6.741 9.832 1.00 0.00 O ATOM 0 H GLY A 118 -3.598 10.206 11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.481 8.157 11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.401 9.513 10.812 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.305 8.078 9.453 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.793 7.271 8.359 1.00 0.00 C ATOM 1879 C LEU A 119 -2.340 5.914 8.900 1.00 0.00 C ATOM 1880 O LEU A 119 -2.763 4.871 8.403 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.699 8.028 7.602 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.174 8.925 6.457 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -0.988 9.461 5.653 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -3.184 8.195 5.571 1.00 0.00 C ATOM 0 H LEU A 119 -2.747 8.904 9.671 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.578 7.077 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.150 8.643 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.994 7.301 7.199 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.687 9.785 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.353 10.096 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.339 10.043 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.426 8.627 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -3.505 8.855 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.720 7.305 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.048 7.904 6.168 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.485 5.971 9.910 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.970 4.758 10.524 1.00 0.00 C ATOM 1898 C GLU A 120 -2.095 3.738 10.709 1.00 0.00 C ATOM 1899 O GLU A 120 -2.053 2.651 10.135 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.285 5.067 11.857 1.00 0.00 C ATOM 1901 CG GLU A 120 1.036 5.808 11.636 1.00 0.00 C ATOM 1902 CD GLU A 120 1.212 6.931 12.659 1.00 0.00 C ATOM 1903 OE1 GLU A 120 1.444 6.592 13.839 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.111 8.104 12.238 1.00 0.00 O ATOM 0 H GLU A 120 -1.136 6.838 10.319 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.221 4.327 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.946 5.672 12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.100 4.139 12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.867 5.107 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.061 6.222 10.628 1.00 0.00 H new ATOM 1911 N ALA A 121 -3.075 4.124 11.514 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.209 3.257 11.782 1.00 0.00 C ATOM 1913 C ALA A 121 -4.478 2.383 10.556 1.00 0.00 C ATOM 1914 O ALA A 121 -4.685 1.176 10.682 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.421 4.106 12.170 1.00 0.00 C ATOM 0 H ALA A 121 -3.106 5.026 11.989 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.995 2.593 12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.272 3.455 12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.188 4.685 13.063 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.668 4.783 11.352 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.467 3.025 9.397 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.707 2.321 8.149 1.00 0.00 C ATOM 1923 C ALA A 122 -3.874 1.038 8.123 1.00 0.00 C ATOM 1924 O ALA A 122 -4.422 -0.063 8.124 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.390 3.245 6.972 1.00 0.00 C ATOM 0 H ALA A 122 -4.296 4.025 9.296 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.756 2.035 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.570 2.717 6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.029 4.127 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.345 3.551 7.021 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.562 1.222 8.101 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.647 0.093 8.076 1.00 0.00 C ATOM 1933 C LEU A 123 -1.917 -0.803 9.286 1.00 0.00 C ATOM 1934 O LEU A 123 -2.084 -2.013 9.141 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.200 0.579 7.980 1.00 0.00 C ATOM 1936 CG LEU A 123 0.867 -0.512 7.865 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.442 -0.864 9.238 1.00 0.00 C ATOM 1938 CD2 LEU A 123 0.317 -1.743 7.141 1.00 0.00 C ATOM 0 H LEU A 123 -2.110 2.137 8.100 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.814 -0.514 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.115 1.236 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.019 1.183 8.861 1.00 0.00 H new ATOM 0 HG LEU A 123 1.688 -0.124 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.198 -1.642 9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.896 0.023 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.643 -1.224 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.095 -2.503 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -0.532 -2.142 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.004 -1.462 6.138 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.950 -0.175 10.452 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.197 -0.900 11.686 1.00 0.00 C ATOM 1952 C LEU A 124 -3.334 -1.900 11.467 1.00 0.00 C ATOM 1953 O LEU A 124 -3.151 -3.103 11.650 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.448 0.073 12.839 1.00 0.00 C ATOM 1955 CG LEU A 124 -1.202 0.626 13.534 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -0.337 1.423 12.556 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -1.581 1.450 14.766 1.00 0.00 C ATOM 0 H LEU A 124 -1.810 0.829 10.568 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.316 -1.475 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.031 0.912 12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.063 -0.430 13.585 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.603 -0.216 13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.542 1.805 13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.022 0.775 11.738 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.914 2.257 12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.677 1.831 15.241 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.212 2.286 14.465 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.124 0.821 15.471 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.482 -1.366 11.077 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.648 -2.197 10.831 1.00 0.00 C ATOM 1971 C ARG A 125 -5.300 -3.325 9.857 1.00 0.00 C ATOM 1972 O ARG A 125 -5.335 -4.498 10.224 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.800 -1.371 10.254 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.462 -0.520 11.339 1.00 0.00 C ATOM 1975 CD ARG A 125 -7.924 0.825 10.774 1.00 0.00 C ATOM 1976 NE ARG A 125 -8.169 1.780 11.878 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.190 1.684 12.741 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -10.066 0.676 12.634 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -9.334 2.596 13.712 1.00 0.00 N ATOM 0 H ARG A 125 -4.630 -0.368 10.925 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.961 -2.621 11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.427 -0.726 9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.539 -2.035 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.315 -1.055 11.757 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.759 -0.354 12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.168 1.224 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.834 0.690 10.190 1.00 0.00 H new ATOM 0 HE ARG A 125 -7.521 2.560 11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -9.956 -0.019 11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.843 0.603 13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.667 3.363 13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.111 2.523 14.369 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.973 -2.929 8.636 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.619 -3.893 7.607 1.00 0.00 C ATOM 1995 C LEU A 126 -3.770 -5.005 8.226 1.00 0.00 C ATOM 1996 O LEU A 126 -4.136 -6.177 8.164 1.00 0.00 O ATOM 1997 CB LEU A 126 -3.947 -3.192 6.425 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.773 -2.106 5.732 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.879 -0.961 5.251 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.610 -2.695 4.595 1.00 0.00 C ATOM 0 H LEU A 126 -4.946 -1.955 8.336 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.515 -4.364 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.016 -2.745 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.680 -3.946 5.684 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.468 -1.689 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.491 -0.203 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.365 -0.518 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.144 -1.346 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.187 -1.902 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.951 -3.155 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.289 -3.448 4.995 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.652 -4.597 8.809 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.748 -5.544 9.438 1.00 0.00 C ATOM 2014 C GLN A 127 -2.513 -6.443 10.411 1.00 0.00 C ATOM 2015 O GLN A 127 -2.252 -7.642 10.491 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.601 -4.820 10.147 1.00 0.00 C ATOM 2017 CG GLN A 127 0.263 -4.050 9.147 1.00 0.00 C ATOM 2018 CD GLN A 127 1.745 -4.140 9.519 1.00 0.00 C ATOM 2019 OE1 GLN A 127 2.552 -4.342 8.482 1.00 0.00 O flip ATOM 2020 NE2 GLN A 127 2.129 -4.033 10.672 1.00 0.00 N flip ATOM 0 H GLN A 127 -2.352 -3.623 8.859 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.313 -6.171 8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.005 -4.132 10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 127 0.014 -5.543 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.111 -4.451 8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.047 -3.005 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 127 1.455 -3.879 11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.124 -4.098 10.886 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.444 -5.829 11.126 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.250 -6.558 12.091 1.00 0.00 C ATOM 2031 C ALA A 128 -5.235 -7.461 11.346 1.00 0.00 C ATOM 2032 O ALA A 128 -5.711 -8.453 11.897 1.00 0.00 O ATOM 2033 CB ALA A 128 -4.954 -5.568 13.021 1.00 0.00 C ATOM 0 H ALA A 128 -3.658 -4.834 11.056 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.622 -7.197 12.712 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.558 -6.115 13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.209 -4.971 13.548 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.596 -4.911 12.434 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.512 -7.086 10.106 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.432 -7.849 9.281 1.00 0.00 C ATOM 2041 C GLN A 129 -5.702 -9.016 8.612 1.00 0.00 C ATOM 2042 O GLN A 129 -6.205 -10.138 8.592 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.106 -6.954 8.239 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.090 -5.987 8.900 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.312 -5.754 8.010 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.048 -6.666 7.670 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.487 -4.485 7.653 1.00 0.00 N ATOM 0 H GLN A 129 -5.115 -6.263 9.653 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.214 -8.255 9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.349 -6.391 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.631 -7.571 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.408 -6.388 9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.594 -5.037 9.098 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.833 -3.770 7.973 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.275 -4.226 7.059 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.527 -8.710 8.080 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.723 -9.719 7.412 1.00 0.00 C ATOM 2058 C VAL A 130 -3.426 -10.858 8.390 1.00 0.00 C ATOM 2059 O VAL A 130 -3.638 -12.027 8.070 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.457 -9.082 6.835 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.556 -10.138 6.192 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.807 -7.977 5.837 1.00 0.00 C ATOM 0 H VAL A 130 -4.113 -7.778 8.098 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.269 -10.146 6.571 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.905 -8.628 7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.663 -9.659 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.266 -10.874 6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.096 -10.635 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.890 -7.540 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.391 -8.398 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.390 -7.205 6.339 1.00 0.00 H new ATOM 2072 N ARG A 131 -2.940 -10.477 9.562 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.612 -11.452 10.589 1.00 0.00 C ATOM 2074 C ARG A 131 -3.702 -12.523 10.671 1.00 0.00 C ATOM 2075 O ARG A 131 -3.412 -13.691 10.928 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.460 -10.783 11.956 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.067 -10.170 12.114 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.044 -9.148 13.252 1.00 0.00 C ATOM 2079 NE ARG A 131 -0.278 -9.684 14.399 1.00 0.00 N ATOM 2080 CZ ARG A 131 0.095 -8.955 15.460 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.225 -7.655 15.526 1.00 0.00 N ATOM 2082 NH2 ARG A 131 0.789 -9.525 16.455 1.00 0.00 N ATOM 0 H ARG A 131 -2.765 -9.507 9.824 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.663 -11.914 10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.218 -10.008 12.072 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.630 -11.516 12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.340 -10.957 12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.770 -9.689 11.182 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -0.594 -8.217 12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.062 -8.914 13.562 1.00 0.00 H new ATOM 0 HE ARG A 131 -0.018 -10.670 14.381 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -0.752 -7.221 14.769 1.00 0.00 H new ATOM 0 HH12 ARG A 131 0.059 -7.100 16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 131 1.034 -10.514 16.405 1.00 0.00 H new ATOM 0 HH22 ARG A 131 1.073 -8.970 17.262 1.00 0.00 H new ATOM 2096 N LYS A 132 -4.933 -12.087 10.449 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.068 -12.994 10.496 1.00 0.00 C ATOM 2098 C LYS A 132 -5.921 -14.045 9.394 1.00 0.00 C ATOM 2099 O LYS A 132 -6.124 -15.234 9.634 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.381 -12.212 10.429 1.00 0.00 C ATOM 2101 CG LYS A 132 -7.344 -10.997 11.358 1.00 0.00 C ATOM 2102 CD LYS A 132 -6.821 -11.382 12.743 1.00 0.00 C ATOM 2103 CE LYS A 132 -7.751 -12.390 13.420 1.00 0.00 C ATOM 2104 NZ LYS A 132 -7.722 -12.216 14.890 1.00 0.00 N ATOM 0 H LYS A 132 -5.170 -11.118 10.236 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.090 -13.528 11.446 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.562 -11.886 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -8.210 -12.862 10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -6.708 -10.224 10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -8.344 -10.573 11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -5.822 -11.808 12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.733 -10.490 13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -8.769 -12.259 13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -7.447 -13.404 13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -8.359 -12.908 15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -6.753 -12.364 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -8.034 -11.254 15.132 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.568 -13.568 8.209 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.392 -14.451 7.069 1.00 0.00 C ATOM 2120 C ALA A 133 -4.410 -15.565 7.439 1.00 0.00 C ATOM 2121 O ALA A 133 -4.669 -16.738 7.178 1.00 0.00 O ATOM 2122 CB ALA A 133 -4.922 -13.639 5.860 1.00 0.00 C ATOM 0 H ALA A 133 -5.399 -12.581 8.014 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.338 -14.920 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -4.790 -14.302 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -5.667 -12.881 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.974 -13.155 6.093 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.303 -15.157 8.043 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.281 -16.105 8.452 1.00 0.00 C ATOM 2130 C LEU A 134 -2.934 -17.248 9.232 1.00 0.00 C ATOM 2131 O LEU A 134 -2.560 -18.408 9.071 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.167 -15.393 9.222 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.257 -14.482 8.396 1.00 0.00 C ATOM 2134 CD1 LEU A 134 -1.051 -13.331 7.775 1.00 0.00 C ATOM 2135 CD2 LEU A 134 0.922 -13.980 9.232 1.00 0.00 C ATOM 0 H LEU A 134 -3.092 -14.183 8.259 1.00 0.00 H new ATOM 0 HA LEU A 134 -1.801 -16.548 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.623 -14.797 10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.548 -16.148 9.707 1.00 0.00 H new ATOM 0 HG LEU A 134 0.157 -15.067 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -0.380 -12.699 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.826 -13.734 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -1.513 -12.739 8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 134 1.553 -13.335 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 134 0.548 -13.417 10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 134 1.506 -14.830 9.584 1.00 0.00 H new ATOM 2147 N THR A 135 -3.900 -16.879 10.061 1.00 0.00 N ATOM 2148 CA THR A 135 -4.609 -17.859 10.867 1.00 0.00 C ATOM 2149 C THR A 135 -6.104 -17.832 10.545 1.00 0.00 C ATOM 2150 O THR A 135 -6.938 -17.939 11.442 1.00 0.00 O ATOM 2151 CB THR A 135 -4.299 -17.575 12.338 1.00 0.00 C ATOM 2152 OG1 THR A 135 -5.035 -18.568 13.046 1.00 0.00 O ATOM 2153 CG2 THR A 135 -4.901 -16.252 12.818 1.00 0.00 C ATOM 0 H THR A 135 -4.208 -15.916 10.192 1.00 0.00 H new ATOM 0 HA THR A 135 -4.278 -18.872 10.640 1.00 0.00 H new ATOM 0 HB THR A 135 -3.219 -17.557 12.484 1.00 0.00 H new ATOM 0 HG1 THR A 135 -5.992 -18.451 12.873 1.00 0.00 H new ATOM 0 HG21 THR A 135 -4.652 -16.098 13.868 1.00 0.00 H new ATOM 0 HG22 THR A 135 -4.496 -15.432 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 135 -5.985 -16.282 12.703 1.00 0.00 H new ATOM 2161 N SER A 136 -6.398 -17.689 9.261 1.00 0.00 N ATOM 2162 CA SER A 136 -7.778 -17.647 8.809 1.00 0.00 C ATOM 2163 C SER A 136 -8.248 -19.052 8.429 1.00 0.00 C ATOM 2164 O SER A 136 -8.726 -19.802 9.279 1.00 0.00 O ATOM 2165 CB SER A 136 -7.941 -16.694 7.623 1.00 0.00 C ATOM 2166 OG SER A 136 -7.012 -16.977 6.580 1.00 0.00 O ATOM 0 H SER A 136 -5.704 -17.601 8.519 1.00 0.00 H new ATOM 0 HA SER A 136 -8.394 -17.274 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.957 -16.769 7.234 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.804 -15.667 7.962 1.00 0.00 H new ATOM 0 HG SER A 136 -6.180 -17.321 6.967 1.00 0.00 H new