USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 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 1 MET N :NH3+ 163:sc= 0.0171 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 1 MET CE :methyl 174:sc= -0.59 (180deg=-0.72) USER MOD Single : A 2 ASN : amide:sc= -0.21 K(o=-0.21,f=-6.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 152:sc= 1.13 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 70:sc= 1.04 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 69:sc= 0.74 USER MOD Single : A 40 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.85) USER MOD Single : A 42 MET CE :methyl 153:sc= -0.179 (180deg=-1.49) USER MOD Single : A 56 ASN : amide:sc= -0.522 K(o=-0.52,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -0.0203 K(o=-0.02,f=-6.3!) USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= -0.0636 (180deg=-0.278) USER MOD Single : A 62 SER OG : rot 137:sc= 0.667 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= -0.177 (180deg=-0.867) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 145:sc= 0.88 (180deg=0.266) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 1.23 (180deg=-0.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.377 -0.359 10.940 1.00 0.00 N ATOM 2 CA MET A 1 2.028 -0.373 9.607 1.00 0.00 C ATOM 3 C MET A 1 1.235 -1.224 8.618 1.00 0.00 C ATOM 4 O MET A 1 0.643 -0.686 7.692 1.00 0.00 O ATOM 5 CB MET A 1 3.480 -0.877 9.707 1.00 0.00 C ATOM 6 CG MET A 1 4.456 0.160 10.251 1.00 0.00 C ATOM 7 SD MET A 1 6.053 -0.550 10.702 1.00 0.00 S ATOM 8 CE MET A 1 6.617 -1.166 9.117 1.00 0.00 C ATOM 0 H1 MET A 1 2.057 -0.030 11.655 1.00 0.00 H new ATOM 0 H2 MET A 1 0.558 0.282 10.920 1.00 0.00 H new ATOM 0 H3 MET A 1 1.059 -1.319 11.181 1.00 0.00 H new ATOM 0 HA MET A 1 2.046 0.652 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.505 -1.758 10.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.814 -1.193 8.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.608 0.937 9.502 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.018 0.641 11.125 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.637 -1.537 9.213 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.965 -1.976 8.789 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.592 -0.360 8.384 1.00 0.00 H new ATOM 17 N ASN A 2 1.197 -2.541 8.833 1.00 0.00 N ATOM 18 CA ASN A 2 0.577 -3.472 7.875 1.00 0.00 C ATOM 19 C ASN A 2 -0.832 -3.023 7.475 1.00 0.00 C ATOM 20 O ASN A 2 -1.129 -2.867 6.288 1.00 0.00 O ATOM 21 CB ASN A 2 0.540 -4.904 8.445 1.00 0.00 C ATOM 22 CG ASN A 2 -0.268 -5.033 9.730 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.369 -4.089 10.517 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.848 -6.202 9.956 1.00 0.00 N ATOM 0 H ASN A 2 1.587 -2.991 9.661 1.00 0.00 H new ATOM 0 HA ASN A 2 1.195 -3.468 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.120 -5.573 7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.561 -5.237 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.399 -6.343 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.744 -6.962 9.283 1.00 0.00 H new ATOM 31 N ALA A 3 -1.686 -2.785 8.466 1.00 0.00 N ATOM 32 CA ALA A 3 -3.053 -2.344 8.214 1.00 0.00 C ATOM 33 C ALA A 3 -3.050 -0.911 7.698 1.00 0.00 C ATOM 34 O ALA A 3 -3.746 -0.580 6.741 1.00 0.00 O ATOM 35 CB ALA A 3 -3.890 -2.458 9.484 1.00 0.00 C ATOM 0 H ALA A 3 -1.454 -2.891 9.454 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.498 -2.986 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.908 -2.125 9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.907 -3.496 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.454 -1.834 10.264 1.00 0.00 H new ATOM 41 N THR A 4 -2.223 -0.087 8.329 1.00 0.00 N ATOM 42 CA THR A 4 -2.074 1.322 7.977 1.00 0.00 C ATOM 43 C THR A 4 -1.787 1.500 6.480 1.00 0.00 C ATOM 44 O THR A 4 -2.338 2.389 5.825 1.00 0.00 O ATOM 45 CB THR A 4 -0.918 1.938 8.801 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.132 1.688 10.200 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.784 3.435 8.558 1.00 0.00 C ATOM 0 H THR A 4 -1.631 -0.379 9.107 1.00 0.00 H new ATOM 0 HA THR A 4 -3.011 1.830 8.204 1.00 0.00 H new ATOM 0 HB THR A 4 0.010 1.466 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.397 2.078 10.718 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.039 3.828 9.155 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.585 3.616 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.710 3.934 8.843 1.00 0.00 H new ATOM 55 N ILE A 5 -0.939 0.626 5.951 1.00 0.00 N ATOM 56 CA ILE A 5 -0.500 0.691 4.561 1.00 0.00 C ATOM 57 C ILE A 5 -1.673 0.512 3.600 1.00 0.00 C ATOM 58 O ILE A 5 -1.908 1.354 2.737 1.00 0.00 O ATOM 59 CB ILE A 5 0.592 -0.374 4.283 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.869 -0.040 5.083 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.892 -0.473 2.785 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.858 -1.184 5.188 1.00 0.00 C ATOM 0 H ILE A 5 -0.535 -0.150 6.475 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.075 1.680 4.393 1.00 0.00 H new ATOM 0 HB ILE A 5 0.222 -1.346 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.364 0.811 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.583 0.271 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.661 -1.227 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.015 -0.755 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.244 0.492 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.725 -0.864 5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.384 -2.030 5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.177 -1.482 4.189 1.00 0.00 H new ATOM 74 N ARG A 6 -2.422 -0.575 3.759 1.00 0.00 N ATOM 75 CA ARG A 6 -3.570 -0.833 2.892 1.00 0.00 C ATOM 76 C ARG A 6 -4.728 0.103 3.236 1.00 0.00 C ATOM 77 O ARG A 6 -5.601 0.360 2.406 1.00 0.00 O ATOM 78 CB ARG A 6 -3.991 -2.317 2.954 1.00 0.00 C ATOM 79 CG ARG A 6 -4.241 -2.881 4.357 1.00 0.00 C ATOM 80 CD ARG A 6 -5.596 -2.473 4.930 1.00 0.00 C ATOM 81 NE ARG A 6 -5.880 -3.152 6.197 1.00 0.00 N ATOM 82 CZ ARG A 6 -6.737 -2.702 7.119 1.00 0.00 C ATOM 83 NH1 ARG A 6 -7.374 -1.549 6.942 1.00 0.00 N ATOM 84 NH2 ARG A 6 -6.944 -3.407 8.224 1.00 0.00 N ATOM 0 H ARG A 6 -2.258 -1.286 4.472 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.276 -0.626 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.900 -2.442 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.216 -2.915 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.180 -3.969 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.452 -2.539 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.615 -1.394 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.380 -2.706 4.209 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.391 -4.027 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.211 -1.000 6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.026 -1.213 7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.450 -4.288 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.597 -3.068 8.930 1.00 0.00 H new ATOM 98 N GLU A 7 -4.722 0.615 4.463 1.00 0.00 N ATOM 99 CA GLU A 7 -5.766 1.517 4.936 1.00 0.00 C ATOM 100 C GLU A 7 -5.661 2.882 4.253 1.00 0.00 C ATOM 101 O GLU A 7 -6.679 3.506 3.943 1.00 0.00 O ATOM 102 CB GLU A 7 -5.681 1.673 6.462 1.00 0.00 C ATOM 103 CG GLU A 7 -6.750 2.579 7.067 1.00 0.00 C ATOM 104 CD GLU A 7 -6.659 2.653 8.585 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.846 3.448 9.103 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.393 1.910 9.269 1.00 0.00 O ATOM 0 H GLU A 7 -3.998 0.418 5.154 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.733 1.085 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.757 0.687 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.699 2.069 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.650 3.581 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.736 2.212 6.783 1.00 0.00 H new ATOM 113 N ILE A 8 -4.429 3.337 4.000 1.00 0.00 N ATOM 114 CA ILE A 8 -4.213 4.660 3.413 1.00 0.00 C ATOM 115 C ILE A 8 -4.907 4.774 2.052 1.00 0.00 C ATOM 116 O ILE A 8 -5.368 5.849 1.670 1.00 0.00 O ATOM 117 CB ILE A 8 -2.708 5.026 3.261 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.563 6.550 3.118 1.00 0.00 C ATOM 119 CG2 ILE A 8 -2.081 4.314 2.063 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.140 7.025 2.943 1.00 0.00 C ATOM 0 H ILE A 8 -3.575 2.813 4.191 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.651 5.371 4.113 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.178 4.694 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.152 6.881 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.987 7.028 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.030 4.591 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.163 3.235 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.602 4.607 1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.128 8.111 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.548 6.729 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.715 6.579 2.044 1.00 0.00 H new ATOM 132 N LEU A 9 -4.985 3.652 1.329 1.00 0.00 N ATOM 133 CA LEU A 9 -5.629 3.616 0.012 1.00 0.00 C ATOM 134 C LEU A 9 -7.061 4.152 0.078 1.00 0.00 C ATOM 135 O LEU A 9 -7.583 4.668 -0.907 1.00 0.00 O ATOM 136 CB LEU A 9 -5.638 2.186 -0.565 1.00 0.00 C ATOM 137 CG LEU A 9 -4.310 1.688 -1.169 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.847 2.606 -2.297 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.229 1.560 -0.102 1.00 0.00 C ATOM 0 H LEU A 9 -4.609 2.754 1.635 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.045 4.258 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.933 1.498 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.407 2.132 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.488 0.696 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.908 2.234 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.603 2.627 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.699 3.614 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.305 1.207 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.056 2.532 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.551 0.849 0.659 1.00 0.00 H new ATOM 151 N ALA A 10 -7.685 4.034 1.246 1.00 0.00 N ATOM 152 CA ALA A 10 -9.065 4.472 1.431 1.00 0.00 C ATOM 153 C ALA A 10 -9.178 5.997 1.446 1.00 0.00 C ATOM 154 O ALA A 10 -10.184 6.553 1.002 1.00 0.00 O ATOM 155 CB ALA A 10 -9.635 3.885 2.717 1.00 0.00 C ATOM 0 H ALA A 10 -7.255 3.637 2.082 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.645 4.108 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.665 4.219 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.610 2.797 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.038 4.219 3.565 1.00 0.00 H new ATOM 161 N LYS A 11 -8.146 6.668 1.959 1.00 0.00 N ATOM 162 CA LYS A 11 -8.185 8.122 2.152 1.00 0.00 C ATOM 163 C LYS A 11 -7.219 8.876 1.221 1.00 0.00 C ATOM 164 O LYS A 11 -7.323 10.096 1.078 1.00 0.00 O ATOM 165 CB LYS A 11 -7.890 8.461 3.622 1.00 0.00 C ATOM 166 CG LYS A 11 -6.603 7.838 4.158 1.00 0.00 C ATOM 167 CD LYS A 11 -6.340 8.237 5.608 1.00 0.00 C ATOM 168 CE LYS A 11 -5.038 7.643 6.136 1.00 0.00 C ATOM 169 NZ LYS A 11 -4.787 8.032 7.548 1.00 0.00 N ATOM 0 H LYS A 11 -7.272 6.230 2.249 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.190 8.455 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.829 9.544 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.726 8.127 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.667 6.752 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.763 8.149 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.300 9.324 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.170 7.905 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.077 6.556 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.208 7.977 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.893 7.609 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.725 9.068 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.567 7.692 8.146 1.00 0.00 H new ATOM 183 N PHE A 12 -6.281 8.160 0.602 1.00 0.00 N ATOM 184 CA PHE A 12 -5.305 8.776 -0.315 1.00 0.00 C ATOM 185 C PHE A 12 -5.342 8.114 -1.690 1.00 0.00 C ATOM 186 O PHE A 12 -5.185 8.782 -2.710 1.00 0.00 O ATOM 187 CB PHE A 12 -3.876 8.691 0.258 1.00 0.00 C ATOM 188 CG PHE A 12 -3.528 9.795 1.233 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.794 9.661 2.588 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.925 10.964 0.790 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.467 10.668 3.477 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.598 11.973 1.676 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.870 11.825 3.021 1.00 0.00 C ATOM 0 H PHE A 12 -6.171 7.152 0.715 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.583 9.824 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.754 7.730 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.164 8.714 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.262 8.759 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.708 11.087 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.679 10.549 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.130 12.877 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.616 12.613 3.715 1.00 0.00 H new ATOM 203 N GLY A 13 -5.549 6.805 -1.712 1.00 0.00 N ATOM 204 CA GLY A 13 -5.572 6.082 -2.968 1.00 0.00 C ATOM 205 C GLY A 13 -6.784 6.440 -3.804 1.00 0.00 C ATOM 206 O GLY A 13 -7.919 6.256 -3.362 1.00 0.00 O ATOM 0 H GLY A 13 -5.701 6.231 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.665 6.303 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.571 5.010 -2.770 1.00 0.00 H new ATOM 210 N GLN A 14 -6.548 6.958 -5.006 1.00 0.00 N ATOM 211 CA GLN A 14 -7.632 7.335 -5.913 1.00 0.00 C ATOM 212 C GLN A 14 -8.201 6.091 -6.604 1.00 0.00 C ATOM 213 O GLN A 14 -8.278 6.014 -7.832 1.00 0.00 O ATOM 214 CB GLN A 14 -7.131 8.353 -6.953 1.00 0.00 C ATOM 215 CG GLN A 14 -8.246 8.982 -7.788 1.00 0.00 C ATOM 216 CD GLN A 14 -7.719 9.918 -8.859 1.00 0.00 C ATOM 217 OE1 GLN A 14 -7.541 11.115 -8.625 1.00 0.00 O ATOM 218 NE2 GLN A 14 -7.470 9.383 -10.044 1.00 0.00 N ATOM 0 H GLN A 14 -5.613 7.127 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.428 7.802 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.584 9.144 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.425 7.859 -7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.832 8.192 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.920 9.531 -7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.630 8.388 -10.198 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.118 9.966 -10.803 1.00 0.00 H new ATOM 227 N LEU A 15 -8.572 5.104 -5.800 1.00 0.00 N ATOM 228 CA LEU A 15 -9.194 3.888 -6.298 1.00 0.00 C ATOM 229 C LEU A 15 -10.664 4.170 -6.628 1.00 0.00 C ATOM 230 O LEU A 15 -11.409 4.645 -5.766 1.00 0.00 O ATOM 231 CB LEU A 15 -9.088 2.775 -5.240 1.00 0.00 C ATOM 232 CG LEU A 15 -9.466 1.358 -5.714 1.00 0.00 C ATOM 233 CD1 LEU A 15 -8.526 0.879 -6.812 1.00 0.00 C ATOM 234 CD2 LEU A 15 -9.457 0.375 -4.545 1.00 0.00 C ATOM 0 H LEU A 15 -8.450 5.125 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.681 3.558 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.064 2.751 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.728 3.038 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.475 1.403 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.816 -0.123 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.584 1.558 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.504 0.859 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.727 -0.619 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.461 0.344 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.177 0.697 -3.793 1.00 0.00 H new ATOM 246 N PRO A 16 -11.105 3.887 -7.872 1.00 0.00 N ATOM 247 CA PRO A 16 -12.500 4.108 -8.281 1.00 0.00 C ATOM 248 C PRO A 16 -13.424 3.100 -7.609 1.00 0.00 C ATOM 249 O PRO A 16 -14.643 3.283 -7.533 1.00 0.00 O ATOM 250 CB PRO A 16 -12.474 3.885 -9.800 1.00 0.00 C ATOM 251 CG PRO A 16 -11.290 3.008 -10.050 1.00 0.00 C ATOM 252 CD PRO A 16 -10.291 3.307 -8.960 1.00 0.00 C ATOM 0 HA PRO A 16 -12.870 5.095 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.394 3.412 -10.144 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.383 4.830 -10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.577 1.957 -10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.862 3.207 -11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.775 2.404 -8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.526 4.005 -9.301 1.00 0.00 H new ATOM 260 N THR A 17 -12.805 2.051 -7.108 1.00 0.00 N ATOM 261 CA THR A 17 -13.484 0.924 -6.523 1.00 0.00 C ATOM 262 C THR A 17 -13.396 1.000 -4.992 1.00 0.00 C ATOM 263 O THR A 17 -12.383 1.444 -4.450 1.00 0.00 O ATOM 264 CB THR A 17 -12.810 -0.356 -7.062 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.077 -0.487 -8.466 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.258 -1.603 -6.328 1.00 0.00 C ATOM 0 H THR A 17 -11.789 1.961 -7.098 1.00 0.00 H new ATOM 0 HA THR A 17 -14.541 0.921 -6.788 1.00 0.00 H new ATOM 0 HB THR A 17 -11.738 -0.256 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.347 -0.982 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.753 -2.473 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.008 -1.513 -5.271 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.336 -1.722 -6.437 1.00 0.00 H new ATOM 274 N PRO A 18 -14.465 0.606 -4.274 1.00 0.00 N ATOM 275 CA PRO A 18 -14.488 0.647 -2.805 1.00 0.00 C ATOM 276 C PRO A 18 -13.423 -0.263 -2.183 1.00 0.00 C ATOM 277 O PRO A 18 -13.353 -1.453 -2.490 1.00 0.00 O ATOM 278 CB PRO A 18 -15.903 0.158 -2.447 1.00 0.00 C ATOM 279 CG PRO A 18 -16.373 -0.582 -3.653 1.00 0.00 C ATOM 280 CD PRO A 18 -15.735 0.104 -4.829 1.00 0.00 C ATOM 0 HA PRO A 18 -14.267 1.643 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.887 -0.488 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.563 0.994 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.081 -1.631 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.460 -0.557 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.569 -0.586 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.357 0.914 -5.209 1.00 0.00 H new ATOM 288 N VAL A 19 -12.601 0.306 -1.303 1.00 0.00 N ATOM 289 CA VAL A 19 -11.563 -0.452 -0.598 1.00 0.00 C ATOM 290 C VAL A 19 -12.188 -1.582 0.229 1.00 0.00 C ATOM 291 O VAL A 19 -11.520 -2.552 0.598 1.00 0.00 O ATOM 292 CB VAL A 19 -10.718 0.479 0.315 1.00 0.00 C ATOM 293 CG1 VAL A 19 -9.650 -0.303 1.086 1.00 0.00 C ATOM 294 CG2 VAL A 19 -10.074 1.592 -0.512 1.00 0.00 C ATOM 0 H VAL A 19 -12.633 1.296 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.902 -0.891 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.391 0.926 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.080 0.382 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.131 -1.054 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.979 -0.794 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.485 2.236 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.425 1.153 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.852 2.181 -0.998 1.00 0.00 H new ATOM 304 N ASP A 20 -13.483 -1.451 0.493 1.00 0.00 N ATOM 305 CA ASP A 20 -14.251 -2.462 1.222 1.00 0.00 C ATOM 306 C ASP A 20 -14.151 -3.846 0.562 1.00 0.00 C ATOM 307 O ASP A 20 -14.249 -4.870 1.242 1.00 0.00 O ATOM 308 CB ASP A 20 -15.719 -2.024 1.304 1.00 0.00 C ATOM 309 CG ASP A 20 -16.621 -3.065 1.952 1.00 0.00 C ATOM 310 OD1 ASP A 20 -16.654 -3.140 3.200 1.00 0.00 O ATOM 311 OD2 ASP A 20 -17.318 -3.800 1.218 1.00 0.00 O ATOM 0 H ASP A 20 -14.034 -0.641 0.209 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.830 -2.548 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.783 -1.095 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.084 -1.811 0.299 1.00 0.00 H new ATOM 316 N THR A 21 -13.951 -3.877 -0.758 1.00 0.00 N ATOM 317 CA THR A 21 -13.917 -5.142 -1.495 1.00 0.00 C ATOM 318 C THR A 21 -12.517 -5.770 -1.473 1.00 0.00 C ATOM 319 O THR A 21 -12.381 -6.992 -1.560 1.00 0.00 O ATOM 320 CB THR A 21 -14.389 -4.968 -2.965 1.00 0.00 C ATOM 321 OG1 THR A 21 -14.605 -6.253 -3.576 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.375 -4.186 -3.793 1.00 0.00 C ATOM 0 H THR A 21 -13.811 -3.047 -1.334 1.00 0.00 H new ATOM 0 HA THR A 21 -14.610 -5.813 -0.988 1.00 0.00 H new ATOM 0 HB THR A 21 -15.323 -4.407 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.903 -6.129 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.740 -4.085 -4.815 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.236 -3.196 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.423 -4.717 -3.799 1.00 0.00 H new ATOM 330 N ILE A 22 -11.482 -4.938 -1.353 1.00 0.00 N ATOM 331 CA ILE A 22 -10.103 -5.432 -1.363 1.00 0.00 C ATOM 332 C ILE A 22 -9.614 -5.700 0.061 1.00 0.00 C ATOM 333 O ILE A 22 -10.345 -5.476 1.029 1.00 0.00 O ATOM 334 CB ILE A 22 -9.132 -4.451 -2.076 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.157 -3.068 -1.404 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.481 -4.343 -3.560 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.202 -2.066 -2.020 1.00 0.00 C ATOM 0 H ILE A 22 -11.570 -3.927 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.107 -6.365 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.120 -4.845 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.170 -2.668 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.914 -3.184 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.792 -3.652 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.399 -5.325 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.501 -3.974 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.279 -1.116 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.182 -2.442 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.457 -1.918 -3.069 1.00 0.00 H new ATOM 349 N ALA A 23 -8.379 -6.178 0.180 1.00 0.00 N ATOM 350 CA ALA A 23 -7.819 -6.582 1.465 1.00 0.00 C ATOM 351 C ALA A 23 -6.315 -6.803 1.343 1.00 0.00 C ATOM 352 O ALA A 23 -5.758 -6.715 0.248 1.00 0.00 O ATOM 353 CB ALA A 23 -8.504 -7.852 1.959 1.00 0.00 C ATOM 0 H ALA A 23 -7.741 -6.296 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.993 -5.786 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.079 -8.145 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.572 -7.667 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.352 -8.653 1.235 1.00 0.00 H new ATOM 359 N ASP A 24 -5.673 -7.112 2.467 1.00 0.00 N ATOM 360 CA ASP A 24 -4.227 -7.353 2.508 1.00 0.00 C ATOM 361 C ASP A 24 -3.843 -8.523 1.606 1.00 0.00 C ATOM 362 O ASP A 24 -2.741 -8.566 1.050 1.00 0.00 O ATOM 363 CB ASP A 24 -3.776 -7.659 3.945 1.00 0.00 C ATOM 364 CG ASP A 24 -4.097 -6.541 4.924 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.287 -6.363 5.261 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.165 -5.846 5.372 1.00 0.00 O ATOM 0 H ASP A 24 -6.134 -7.203 3.372 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.730 -6.450 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.257 -8.577 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.701 -7.841 3.951 1.00 0.00 H new ATOM 371 N GLU A 25 -4.761 -9.478 1.484 1.00 0.00 N ATOM 372 CA GLU A 25 -4.536 -10.700 0.714 1.00 0.00 C ATOM 373 C GLU A 25 -5.256 -10.655 -0.636 1.00 0.00 C ATOM 374 O GLU A 25 -5.404 -11.681 -1.303 1.00 0.00 O ATOM 375 CB GLU A 25 -5.026 -11.905 1.526 1.00 0.00 C ATOM 376 CG GLU A 25 -4.379 -12.016 2.902 1.00 0.00 C ATOM 377 CD GLU A 25 -4.912 -13.182 3.710 1.00 0.00 C ATOM 378 OE1 GLU A 25 -5.939 -13.017 4.395 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.307 -14.270 3.660 1.00 0.00 O ATOM 0 H GLU A 25 -5.683 -9.427 1.916 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.468 -10.790 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.107 -11.836 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.825 -12.817 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.301 -12.125 2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.547 -11.091 3.453 1.00 0.00 H new ATOM 386 N ALA A 26 -5.697 -9.468 -1.040 1.00 0.00 N ATOM 387 CA ALA A 26 -6.426 -9.311 -2.298 1.00 0.00 C ATOM 388 C ALA A 26 -5.607 -8.506 -3.303 1.00 0.00 C ATOM 389 O ALA A 26 -4.893 -7.574 -2.928 1.00 0.00 O ATOM 390 CB ALA A 26 -7.775 -8.644 -2.052 1.00 0.00 C ATOM 0 H ALA A 26 -5.564 -8.602 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.600 -10.302 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.305 -8.535 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.367 -9.259 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.619 -7.661 -1.608 1.00 0.00 H new ATOM 396 N ASP A 27 -5.715 -8.877 -4.575 1.00 0.00 N ATOM 397 CA ASP A 27 -4.994 -8.196 -5.646 1.00 0.00 C ATOM 398 C ASP A 27 -5.526 -6.775 -5.820 1.00 0.00 C ATOM 399 O ASP A 27 -6.547 -6.556 -6.476 1.00 0.00 O ATOM 400 CB ASP A 27 -5.119 -8.977 -6.965 1.00 0.00 C ATOM 401 CG ASP A 27 -4.445 -10.343 -6.915 1.00 0.00 C ATOM 402 OD1 ASP A 27 -4.990 -11.261 -6.267 1.00 0.00 O ATOM 403 OD2 ASP A 27 -3.372 -10.509 -7.530 1.00 0.00 O ATOM 0 H ASP A 27 -6.299 -9.651 -4.891 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.940 -8.146 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.174 -9.107 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.679 -8.390 -7.771 1.00 0.00 H new ATOM 408 N LEU A 28 -4.835 -5.821 -5.204 1.00 0.00 N ATOM 409 CA LEU A 28 -5.239 -4.412 -5.221 1.00 0.00 C ATOM 410 C LEU A 28 -5.432 -3.904 -6.653 1.00 0.00 C ATOM 411 O LEU A 28 -6.450 -3.288 -6.979 1.00 0.00 O ATOM 412 CB LEU A 28 -4.181 -3.557 -4.512 1.00 0.00 C ATOM 413 CG LEU A 28 -3.800 -4.012 -3.092 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.713 -3.110 -2.513 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.024 -4.038 -2.178 1.00 0.00 C ATOM 0 H LEU A 28 -3.979 -5.999 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.192 -4.330 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.279 -3.545 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.544 -2.531 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.407 -5.027 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.457 -3.447 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.828 -3.154 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.077 -2.084 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.727 -4.363 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.456 -3.039 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.764 -4.731 -2.580 1.00 0.00 H new ATOM 427 N TYR A 29 -4.446 -4.178 -7.503 1.00 0.00 N ATOM 428 CA TYR A 29 -4.456 -3.705 -8.888 1.00 0.00 C ATOM 429 C TYR A 29 -5.626 -4.294 -9.681 1.00 0.00 C ATOM 430 O TYR A 29 -6.095 -3.684 -10.644 1.00 0.00 O ATOM 431 CB TYR A 29 -3.116 -4.016 -9.578 1.00 0.00 C ATOM 432 CG TYR A 29 -2.691 -5.474 -9.507 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.087 -5.984 -8.362 1.00 0.00 C ATOM 434 CD2 TYR A 29 -2.878 -6.334 -10.586 1.00 0.00 C ATOM 435 CE1 TYR A 29 -1.690 -7.303 -8.291 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.479 -7.656 -10.521 1.00 0.00 C ATOM 437 CZ TYR A 29 -1.884 -8.134 -9.373 1.00 0.00 C ATOM 438 OH TYR A 29 -1.482 -9.449 -9.302 1.00 0.00 O ATOM 0 H TYR A 29 -3.624 -4.729 -7.256 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.591 -2.624 -8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.185 -3.722 -10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.338 -3.402 -9.125 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.926 -5.335 -7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.342 -5.962 -11.488 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.229 -7.683 -7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.633 -8.311 -11.366 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.067 -9.937 -8.685 1.00 0.00 H new ATOM 448 N ALA A 30 -6.114 -5.457 -9.252 1.00 0.00 N ATOM 449 CA ALA A 30 -7.220 -6.127 -9.936 1.00 0.00 C ATOM 450 C ALA A 30 -8.517 -5.336 -9.778 1.00 0.00 C ATOM 451 O ALA A 30 -9.389 -5.373 -10.648 1.00 0.00 O ATOM 452 CB ALA A 30 -7.393 -7.548 -9.410 1.00 0.00 C ATOM 0 H ALA A 30 -5.761 -5.955 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.980 -6.178 -10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.220 -8.030 -9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.477 -8.114 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.605 -7.517 -8.341 1.00 0.00 H new ATOM 458 N ALA A 31 -8.633 -4.617 -8.663 1.00 0.00 N ATOM 459 CA ALA A 31 -9.817 -3.805 -8.381 1.00 0.00 C ATOM 460 C ALA A 31 -9.816 -2.530 -9.220 1.00 0.00 C ATOM 461 O ALA A 31 -10.845 -1.874 -9.375 1.00 0.00 O ATOM 462 CB ALA A 31 -9.886 -3.466 -6.898 1.00 0.00 C ATOM 0 H ALA A 31 -7.918 -4.580 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.700 -4.386 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.772 -2.862 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.940 -4.386 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.995 -2.907 -6.611 1.00 0.00 H new ATOM 468 N GLY A 32 -8.646 -2.182 -9.748 1.00 0.00 N ATOM 469 CA GLY A 32 -8.518 -1.008 -10.601 1.00 0.00 C ATOM 470 C GLY A 32 -7.595 0.040 -10.012 1.00 0.00 C ATOM 471 O GLY A 32 -7.805 1.239 -10.200 1.00 0.00 O ATOM 0 H GLY A 32 -7.777 -2.695 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.141 -1.312 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.503 -0.571 -10.762 1.00 0.00 H new ATOM 475 N LEU A 33 -6.568 -0.411 -9.297 1.00 0.00 N ATOM 476 CA LEU A 33 -5.613 0.498 -8.670 1.00 0.00 C ATOM 477 C LEU A 33 -4.744 1.171 -9.729 1.00 0.00 C ATOM 478 O LEU A 33 -4.158 0.501 -10.581 1.00 0.00 O ATOM 479 CB LEU A 33 -4.736 -0.254 -7.657 1.00 0.00 C ATOM 480 CG LEU A 33 -3.752 0.617 -6.856 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.499 1.663 -6.030 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.868 -0.252 -5.961 1.00 0.00 C ATOM 0 H LEU A 33 -6.376 -1.400 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.171 1.268 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.387 -0.775 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.168 -1.016 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.110 1.142 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.782 2.266 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.076 2.306 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.172 1.164 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.179 0.383 -5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.493 -0.810 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.300 -0.949 -6.577 1.00 0.00 H new ATOM 494 N SER A 34 -4.673 2.493 -9.671 1.00 0.00 N ATOM 495 CA SER A 34 -3.908 3.274 -10.631 1.00 0.00 C ATOM 496 C SER A 34 -2.510 3.564 -10.082 1.00 0.00 C ATOM 497 O SER A 34 -2.323 3.682 -8.866 1.00 0.00 O ATOM 498 CB SER A 34 -4.652 4.578 -10.936 1.00 0.00 C ATOM 499 OG SER A 34 -5.986 4.312 -11.343 1.00 0.00 O ATOM 0 H SER A 34 -5.143 3.053 -8.959 1.00 0.00 H new ATOM 0 HA SER A 34 -3.798 2.706 -11.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.657 5.215 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.130 5.126 -11.721 1.00 0.00 H new ATOM 0 HG SER A 34 -6.445 5.157 -11.532 1.00 0.00 H new ATOM 505 N SER A 35 -1.540 3.672 -10.986 1.00 0.00 N ATOM 506 CA SER A 35 -0.141 3.887 -10.622 1.00 0.00 C ATOM 507 C SER A 35 0.012 5.121 -9.732 1.00 0.00 C ATOM 508 O SER A 35 0.637 5.062 -8.670 1.00 0.00 O ATOM 509 CB SER A 35 0.711 4.032 -11.894 1.00 0.00 C ATOM 510 OG SER A 35 2.084 4.221 -11.587 1.00 0.00 O ATOM 0 H SER A 35 -1.701 3.613 -11.992 1.00 0.00 H new ATOM 0 HA SER A 35 0.206 3.023 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.596 3.142 -12.513 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.349 4.877 -12.480 1.00 0.00 H new ATOM 0 HG SER A 35 2.596 4.308 -12.418 1.00 0.00 H new ATOM 516 N PHE A 36 -0.589 6.231 -10.154 1.00 0.00 N ATOM 517 CA PHE A 36 -0.479 7.492 -9.422 1.00 0.00 C ATOM 518 C PHE A 36 -1.133 7.375 -8.046 1.00 0.00 C ATOM 519 O PHE A 36 -0.602 7.874 -7.053 1.00 0.00 O ATOM 520 CB PHE A 36 -1.114 8.627 -10.232 1.00 0.00 C ATOM 521 CG PHE A 36 -0.577 8.717 -11.639 1.00 0.00 C ATOM 522 CD1 PHE A 36 0.643 9.328 -11.896 1.00 0.00 C ATOM 523 CD2 PHE A 36 -1.288 8.178 -12.703 1.00 0.00 C ATOM 524 CE1 PHE A 36 1.138 9.403 -13.184 1.00 0.00 C ATOM 525 CE2 PHE A 36 -0.795 8.251 -13.990 1.00 0.00 C ATOM 526 CZ PHE A 36 0.418 8.863 -14.231 1.00 0.00 C ATOM 0 H PHE A 36 -1.158 6.284 -10.999 1.00 0.00 H new ATOM 0 HA PHE A 36 0.577 7.720 -9.274 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.193 8.480 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.939 9.573 -9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.211 9.749 -11.080 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.237 7.696 -12.521 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.087 9.883 -13.371 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.359 7.829 -14.809 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.804 8.920 -15.238 1.00 0.00 H new ATOM 536 N ALA A 37 -2.278 6.696 -7.995 1.00 0.00 N ATOM 537 CA ALA A 37 -2.960 6.424 -6.730 1.00 0.00 C ATOM 538 C ALA A 37 -2.044 5.642 -5.787 1.00 0.00 C ATOM 539 O ALA A 37 -2.109 5.795 -4.565 1.00 0.00 O ATOM 540 CB ALA A 37 -4.258 5.657 -6.977 1.00 0.00 C ATOM 0 H ALA A 37 -2.754 6.323 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.208 7.375 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.753 5.463 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.915 6.250 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.033 4.711 -7.469 1.00 0.00 H new ATOM 546 N SER A 38 -1.185 4.811 -6.372 1.00 0.00 N ATOM 547 CA SER A 38 -0.229 4.019 -5.606 1.00 0.00 C ATOM 548 C SER A 38 0.931 4.898 -5.127 1.00 0.00 C ATOM 549 O SER A 38 1.435 4.735 -4.014 1.00 0.00 O ATOM 550 CB SER A 38 0.294 2.859 -6.461 1.00 0.00 C ATOM 551 OG SER A 38 -0.778 2.098 -6.992 1.00 0.00 O ATOM 0 H SER A 38 -1.132 4.669 -7.381 1.00 0.00 H new ATOM 0 HA SER A 38 -0.733 3.610 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.906 3.249 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.936 2.218 -5.857 1.00 0.00 H new ATOM 0 HG SER A 38 -1.261 2.632 -7.656 1.00 0.00 H new ATOM 557 N VAL A 39 1.343 5.839 -5.973 1.00 0.00 N ATOM 558 CA VAL A 39 2.405 6.776 -5.621 1.00 0.00 C ATOM 559 C VAL A 39 1.975 7.636 -4.436 1.00 0.00 C ATOM 560 O VAL A 39 2.697 7.766 -3.448 1.00 0.00 O ATOM 561 CB VAL A 39 2.783 7.690 -6.818 1.00 0.00 C ATOM 562 CG1 VAL A 39 3.873 8.687 -6.425 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.227 6.854 -8.019 1.00 0.00 C ATOM 0 H VAL A 39 0.957 5.972 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 39 3.284 6.191 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 39 1.895 8.255 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.118 9.314 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.516 9.313 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.763 8.145 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.487 7.515 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.096 6.256 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.414 6.194 -8.323 1.00 0.00 H new ATOM 573 N GLN A 40 0.774 8.192 -4.529 1.00 0.00 N ATOM 574 CA GLN A 40 0.230 9.042 -3.473 1.00 0.00 C ATOM 575 C GLN A 40 0.161 8.281 -2.145 1.00 0.00 C ATOM 576 O GLN A 40 0.327 8.866 -1.070 1.00 0.00 O ATOM 577 CB GLN A 40 -1.161 9.548 -3.877 1.00 0.00 C ATOM 578 CG GLN A 40 -1.782 10.533 -2.890 1.00 0.00 C ATOM 579 CD GLN A 40 -3.100 11.104 -3.387 1.00 0.00 C ATOM 580 OE1 GLN A 40 -3.312 11.250 -4.590 1.00 0.00 O ATOM 581 NE2 GLN A 40 -3.989 11.441 -2.466 1.00 0.00 N ATOM 0 H GLN A 40 0.153 8.070 -5.329 1.00 0.00 H new ATOM 0 HA GLN A 40 0.892 9.897 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.091 10.026 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.828 8.693 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.944 10.032 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.082 11.349 -2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.776 11.305 -1.478 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.887 11.837 -2.745 1.00 0.00 H new ATOM 590 N LEU A 41 -0.065 6.967 -2.226 1.00 0.00 N ATOM 591 CA LEU A 41 -0.189 6.132 -1.032 1.00 0.00 C ATOM 592 C LEU A 41 1.137 6.098 -0.264 1.00 0.00 C ATOM 593 O LEU A 41 1.152 6.238 0.958 1.00 0.00 O ATOM 594 CB LEU A 41 -0.679 4.702 -1.407 1.00 0.00 C ATOM 595 CG LEU A 41 0.362 3.549 -1.368 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.585 3.035 0.058 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.068 2.403 -2.286 1.00 0.00 C ATOM 0 H LEU A 41 -0.165 6.460 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.940 6.569 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.495 4.440 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.096 4.743 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 41 1.309 3.952 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.319 2.230 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.951 3.848 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.356 2.661 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.674 1.606 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.034 2.017 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.151 2.768 -3.310 1.00 0.00 H new ATOM 609 N MET A 42 2.254 5.944 -0.979 1.00 0.00 N ATOM 610 CA MET A 42 3.555 5.797 -0.327 1.00 0.00 C ATOM 611 C MET A 42 4.021 7.131 0.259 1.00 0.00 C ATOM 612 O MET A 42 4.629 7.161 1.328 1.00 0.00 O ATOM 613 CB MET A 42 4.604 5.213 -1.290 1.00 0.00 C ATOM 614 CG MET A 42 4.968 6.114 -2.460 1.00 0.00 C ATOM 615 SD MET A 42 6.090 5.316 -3.628 1.00 0.00 S ATOM 616 CE MET A 42 5.075 3.952 -4.201 1.00 0.00 C ATOM 0 H MET A 42 2.284 5.918 -1.998 1.00 0.00 H new ATOM 0 HA MET A 42 3.440 5.090 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.510 4.990 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.231 4.267 -1.681 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.058 6.412 -2.981 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.431 7.025 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.383 3.667 -5.207 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.196 3.102 -3.530 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.029 4.258 -4.215 1.00 0.00 H new ATOM 626 N LEU A 43 3.713 8.233 -0.428 1.00 0.00 N ATOM 627 CA LEU A 43 4.055 9.567 0.074 1.00 0.00 C ATOM 628 C LEU A 43 3.364 9.828 1.413 1.00 0.00 C ATOM 629 O LEU A 43 3.998 10.282 2.370 1.00 0.00 O ATOM 630 CB LEU A 43 3.686 10.664 -0.947 1.00 0.00 C ATOM 631 CG LEU A 43 4.746 10.956 -2.030 1.00 0.00 C ATOM 632 CD1 LEU A 43 6.058 11.416 -1.394 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.979 9.740 -2.923 1.00 0.00 C ATOM 0 H LEU A 43 3.231 8.230 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 43 5.134 9.600 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.758 10.377 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.485 11.587 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 43 4.365 11.762 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.791 11.616 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.884 12.325 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.436 10.635 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.731 9.979 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.326 8.904 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.046 9.467 -3.417 1.00 0.00 H new ATOM 645 N GLY A 44 2.069 9.528 1.476 1.00 0.00 N ATOM 646 CA GLY A 44 1.327 9.701 2.712 1.00 0.00 C ATOM 647 C GLY A 44 1.781 8.725 3.781 1.00 0.00 C ATOM 648 O GLY A 44 1.922 9.083 4.950 1.00 0.00 O ATOM 0 H GLY A 44 1.522 9.169 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.455 10.721 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.263 9.562 2.520 1.00 0.00 H new ATOM 652 N ILE A 45 2.023 7.483 3.367 1.00 0.00 N ATOM 653 CA ILE A 45 2.471 6.430 4.272 1.00 0.00 C ATOM 654 C ILE A 45 3.852 6.749 4.855 1.00 0.00 C ATOM 655 O ILE A 45 4.163 6.352 5.985 1.00 0.00 O ATOM 656 CB ILE A 45 2.459 5.039 3.559 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.099 4.344 3.761 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.600 4.136 4.026 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.755 4.078 5.214 1.00 0.00 C ATOM 0 H ILE A 45 1.914 7.180 2.399 1.00 0.00 H new ATOM 0 HA ILE A 45 1.769 6.382 5.105 1.00 0.00 H new ATOM 0 HB ILE A 45 2.612 5.220 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.317 4.962 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.101 3.398 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.547 3.182 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.555 4.616 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.513 3.965 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.216 3.587 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.515 3.434 5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.719 5.022 5.758 1.00 0.00 H new ATOM 671 N GLU A 46 4.662 7.490 4.100 1.00 0.00 N ATOM 672 CA GLU A 46 5.985 7.900 4.568 1.00 0.00 C ATOM 673 C GLU A 46 5.869 8.663 5.887 1.00 0.00 C ATOM 674 O GLU A 46 6.445 8.271 6.898 1.00 0.00 O ATOM 675 CB GLU A 46 6.670 8.789 3.521 1.00 0.00 C ATOM 676 CG GLU A 46 8.037 9.313 3.959 1.00 0.00 C ATOM 677 CD GLU A 46 8.564 10.414 3.055 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.141 11.579 3.228 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.409 10.128 2.180 1.00 0.00 O ATOM 0 H GLU A 46 4.426 7.818 3.164 1.00 0.00 H new ATOM 0 HA GLU A 46 6.585 7.004 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.787 8.223 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.021 9.636 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.966 9.690 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.750 8.488 3.972 1.00 0.00 H new ATOM 686 N GLU A 47 5.087 9.734 5.872 1.00 0.00 N ATOM 687 CA GLU A 47 4.883 10.554 7.061 1.00 0.00 C ATOM 688 C GLU A 47 4.018 9.814 8.081 1.00 0.00 C ATOM 689 O GLU A 47 4.114 10.060 9.286 1.00 0.00 O ATOM 690 CB GLU A 47 4.267 11.914 6.694 1.00 0.00 C ATOM 691 CG GLU A 47 2.980 11.822 5.885 1.00 0.00 C ATOM 692 CD GLU A 47 2.377 13.185 5.587 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.783 13.818 4.590 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.496 13.632 6.355 1.00 0.00 O ATOM 0 H GLU A 47 4.581 10.057 5.047 1.00 0.00 H new ATOM 0 HA GLU A 47 5.855 10.744 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.067 12.468 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.998 12.490 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.181 11.305 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.254 11.220 6.431 1.00 0.00 H new ATOM 701 N ALA A 48 3.154 8.932 7.582 1.00 0.00 N ATOM 702 CA ALA A 48 2.231 8.179 8.428 1.00 0.00 C ATOM 703 C ALA A 48 2.947 7.453 9.569 1.00 0.00 C ATOM 704 O ALA A 48 2.521 7.557 10.722 1.00 0.00 O ATOM 705 CB ALA A 48 1.426 7.188 7.593 1.00 0.00 C ATOM 0 H ALA A 48 3.074 8.720 6.587 1.00 0.00 H new ATOM 0 HA ALA A 48 1.552 8.902 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.744 6.636 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.853 7.728 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.105 6.490 7.102 1.00 0.00 H new ATOM 711 N PHE A 49 4.026 6.712 9.272 1.00 0.00 N ATOM 712 CA PHE A 49 4.725 5.974 10.332 1.00 0.00 C ATOM 713 C PHE A 49 6.235 6.252 10.373 1.00 0.00 C ATOM 714 O PHE A 49 6.816 6.271 11.461 1.00 0.00 O ATOM 715 CB PHE A 49 4.459 4.460 10.223 1.00 0.00 C ATOM 716 CG PHE A 49 5.180 3.756 9.093 1.00 0.00 C ATOM 717 CD1 PHE A 49 4.614 3.661 7.830 1.00 0.00 C ATOM 718 CD2 PHE A 49 6.423 3.170 9.307 1.00 0.00 C ATOM 719 CE1 PHE A 49 5.271 2.998 6.810 1.00 0.00 C ATOM 720 CE2 PHE A 49 7.080 2.510 8.288 1.00 0.00 C ATOM 721 CZ PHE A 49 6.505 2.425 7.039 1.00 0.00 C ATOM 0 H PHE A 49 4.423 6.610 8.338 1.00 0.00 H new ATOM 0 HA PHE A 49 4.314 6.341 11.272 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.745 3.989 11.164 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.387 4.304 10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.650 4.110 7.641 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.880 3.232 10.283 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.817 2.929 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.045 2.060 8.470 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.019 1.911 6.241 1.00 0.00 H new ATOM 731 N ASP A 50 6.870 6.486 9.213 1.00 0.00 N ATOM 732 CA ASP A 50 8.331 6.689 9.174 1.00 0.00 C ATOM 733 C ASP A 50 8.836 6.945 7.746 1.00 0.00 C ATOM 734 O ASP A 50 9.253 8.061 7.422 1.00 0.00 O ATOM 735 CB ASP A 50 9.067 5.477 9.783 1.00 0.00 C ATOM 736 CG ASP A 50 10.563 5.710 9.963 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.947 6.589 10.769 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.367 5.001 9.330 1.00 0.00 O ATOM 0 H ASP A 50 6.408 6.539 8.305 1.00 0.00 H new ATOM 0 HA ASP A 50 8.547 7.576 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.624 5.240 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.916 4.609 9.142 1.00 0.00 H new ATOM 743 N ILE A 51 8.792 5.917 6.888 1.00 0.00 N ATOM 744 CA ILE A 51 9.299 6.031 5.510 1.00 0.00 C ATOM 745 C ILE A 51 8.377 5.326 4.516 1.00 0.00 C ATOM 746 O ILE A 51 7.395 4.693 4.907 1.00 0.00 O ATOM 747 CB ILE A 51 10.738 5.452 5.341 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.763 3.905 5.442 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.701 6.081 6.343 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.270 3.329 6.758 1.00 0.00 C ATOM 0 H ILE A 51 8.412 4.999 7.121 1.00 0.00 H new ATOM 0 HA ILE A 51 9.329 7.101 5.302 1.00 0.00 H new ATOM 0 HB ILE A 51 11.071 5.711 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.155 3.496 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.785 3.564 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.697 5.660 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.737 7.159 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.358 5.874 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.329 2.241 6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.891 3.701 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.236 3.631 6.923 1.00 0.00 H new ATOM 762 N GLU A 52 8.706 5.445 3.227 1.00 0.00 N ATOM 763 CA GLU A 52 7.954 4.784 2.164 1.00 0.00 C ATOM 764 C GLU A 52 8.761 3.632 1.563 1.00 0.00 C ATOM 765 O GLU A 52 9.949 3.467 1.856 1.00 0.00 O ATOM 766 CB GLU A 52 7.503 5.785 1.080 1.00 0.00 C ATOM 767 CG GLU A 52 8.539 6.832 0.669 1.00 0.00 C ATOM 768 CD GLU A 52 9.765 6.256 -0.025 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.705 6.020 -1.250 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.800 6.061 0.650 1.00 0.00 O ATOM 0 H GLU A 52 9.496 5.999 2.895 1.00 0.00 H new ATOM 0 HA GLU A 52 7.051 4.365 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.210 5.223 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.613 6.303 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.065 7.555 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.860 7.377 1.556 1.00 0.00 H new ATOM 777 N PHE A 53 8.088 2.828 0.748 1.00 0.00 N ATOM 778 CA PHE A 53 8.666 1.614 0.184 1.00 0.00 C ATOM 779 C PHE A 53 9.820 1.924 -0.775 1.00 0.00 C ATOM 780 O PHE A 53 9.627 2.599 -1.788 1.00 0.00 O ATOM 781 CB PHE A 53 7.574 0.821 -0.538 1.00 0.00 C ATOM 782 CG PHE A 53 6.411 0.478 0.355 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.532 -0.508 1.323 1.00 0.00 C ATOM 784 CD2 PHE A 53 5.200 1.148 0.235 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.472 -0.819 2.150 1.00 0.00 C ATOM 786 CE2 PHE A 53 4.138 0.838 1.061 1.00 0.00 C ATOM 787 CZ PHE A 53 4.275 -0.147 2.018 1.00 0.00 C ATOM 0 H PHE A 53 7.125 3.000 0.459 1.00 0.00 H new ATOM 0 HA PHE A 53 9.076 1.020 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.214 1.400 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.003 -0.098 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.467 -1.038 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.088 1.920 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.580 -1.588 2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.201 1.366 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.445 -0.392 2.664 1.00 0.00 H new ATOM 797 N PRO A 54 11.034 1.420 -0.469 1.00 0.00 N ATOM 798 CA PRO A 54 12.222 1.637 -1.305 1.00 0.00 C ATOM 799 C PRO A 54 12.112 0.918 -2.650 1.00 0.00 C ATOM 800 O PRO A 54 11.491 -0.146 -2.748 1.00 0.00 O ATOM 801 CB PRO A 54 13.361 1.049 -0.457 1.00 0.00 C ATOM 802 CG PRO A 54 12.693 0.020 0.386 1.00 0.00 C ATOM 803 CD PRO A 54 11.343 0.597 0.716 1.00 0.00 C ATOM 0 HA PRO A 54 12.369 2.687 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.137 0.609 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.840 1.815 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.597 -0.925 -0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.267 -0.182 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.598 -0.183 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.372 1.196 1.627 1.00 0.00 H new ATOM 811 N ASP A 55 12.736 1.496 -3.676 1.00 0.00 N ATOM 812 CA ASP A 55 12.649 0.978 -5.045 1.00 0.00 C ATOM 813 C ASP A 55 13.073 -0.490 -5.130 1.00 0.00 C ATOM 814 O ASP A 55 12.658 -1.207 -6.041 1.00 0.00 O ATOM 815 CB ASP A 55 13.503 1.827 -5.997 1.00 0.00 C ATOM 816 CG ASP A 55 14.991 1.725 -5.697 1.00 0.00 C ATOM 817 OD1 ASP A 55 15.451 2.353 -4.719 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.709 1.016 -6.436 1.00 0.00 O ATOM 0 H ASP A 55 13.313 2.332 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 55 11.604 1.040 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.321 1.509 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.192 2.869 -5.926 1.00 0.00 H new ATOM 823 N ASN A 56 13.895 -0.929 -4.177 1.00 0.00 N ATOM 824 CA ASN A 56 14.353 -2.321 -4.117 1.00 0.00 C ATOM 825 C ASN A 56 13.162 -3.283 -4.103 1.00 0.00 C ATOM 826 O ASN A 56 13.131 -4.265 -4.853 1.00 0.00 O ATOM 827 CB ASN A 56 15.225 -2.532 -2.864 1.00 0.00 C ATOM 828 CG ASN A 56 15.879 -3.911 -2.786 1.00 0.00 C ATOM 829 OD1 ASN A 56 15.326 -4.914 -3.235 1.00 0.00 O ATOM 830 ND2 ASN A 56 17.070 -3.966 -2.206 1.00 0.00 N ATOM 0 H ASN A 56 14.261 -0.338 -3.430 1.00 0.00 H new ATOM 0 HA ASN A 56 14.949 -2.530 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.004 -1.770 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.610 -2.382 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.555 -4.859 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.501 -3.115 -1.844 1.00 0.00 H new ATOM 837 N LEU A 57 12.174 -2.987 -3.261 1.00 0.00 N ATOM 838 CA LEU A 57 10.996 -3.846 -3.126 1.00 0.00 C ATOM 839 C LEU A 57 9.802 -3.249 -3.871 1.00 0.00 C ATOM 840 O LEU A 57 8.794 -3.927 -4.091 1.00 0.00 O ATOM 841 CB LEU A 57 10.664 -4.073 -1.634 1.00 0.00 C ATOM 842 CG LEU A 57 10.243 -2.823 -0.826 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.765 -2.497 -1.031 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.545 -3.008 0.659 1.00 0.00 C ATOM 0 H LEU A 57 12.164 -2.161 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 57 11.219 -4.814 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.861 -4.807 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.537 -4.513 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 57 10.828 -1.982 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.503 -1.613 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.578 -2.304 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.157 -3.341 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.240 -2.116 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.997 -3.871 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.614 -3.170 0.795 1.00 0.00 H new ATOM 856 N LEU A 58 9.920 -1.975 -4.245 1.00 0.00 N ATOM 857 CA LEU A 58 8.852 -1.267 -4.946 1.00 0.00 C ATOM 858 C LEU A 58 8.620 -1.916 -6.309 1.00 0.00 C ATOM 859 O LEU A 58 9.283 -1.581 -7.294 1.00 0.00 O ATOM 860 CB LEU A 58 9.214 0.227 -5.090 1.00 0.00 C ATOM 861 CG LEU A 58 8.045 1.204 -5.350 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.522 2.649 -5.222 1.00 0.00 C ATOM 863 CD2 LEU A 58 7.408 0.981 -6.722 1.00 0.00 C ATOM 0 H LEU A 58 10.751 -1.410 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 58 7.928 -1.333 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.725 0.542 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.928 0.326 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 58 7.283 1.007 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.688 3.325 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.908 2.817 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.311 2.838 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.591 1.689 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.157 1.131 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.021 -0.036 -6.783 1.00 0.00 H new ATOM 875 N ASN A 59 7.695 -2.867 -6.343 1.00 0.00 N ATOM 876 CA ASN A 59 7.388 -3.614 -7.557 1.00 0.00 C ATOM 877 C ASN A 59 6.019 -4.279 -7.423 1.00 0.00 C ATOM 878 O ASN A 59 5.547 -4.519 -6.305 1.00 0.00 O ATOM 879 CB ASN A 59 8.476 -4.672 -7.813 1.00 0.00 C ATOM 880 CG ASN A 59 8.251 -5.454 -9.097 1.00 0.00 C ATOM 881 OD1 ASN A 59 7.566 -6.475 -9.101 1.00 0.00 O ATOM 882 ND2 ASN A 59 8.830 -4.982 -10.190 1.00 0.00 N ATOM 0 H ASN A 59 7.138 -3.142 -5.534 1.00 0.00 H new ATOM 0 HA ASN A 59 7.364 -2.928 -8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.449 -4.182 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.507 -5.365 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.716 -5.469 -11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.390 -4.131 -10.143 1.00 0.00 H new ATOM 889 N ARG A 60 5.392 -4.573 -8.564 1.00 0.00 N ATOM 890 CA ARG A 60 4.069 -5.204 -8.608 1.00 0.00 C ATOM 891 C ARG A 60 4.006 -6.424 -7.687 1.00 0.00 C ATOM 892 O ARG A 60 2.979 -6.694 -7.063 1.00 0.00 O ATOM 893 CB ARG A 60 3.743 -5.629 -10.049 1.00 0.00 C ATOM 894 CG ARG A 60 4.691 -6.696 -10.595 1.00 0.00 C ATOM 895 CD ARG A 60 4.374 -7.083 -12.035 1.00 0.00 C ATOM 896 NE ARG A 60 5.281 -8.129 -12.514 1.00 0.00 N ATOM 897 CZ ARG A 60 6.173 -7.964 -13.492 1.00 0.00 C ATOM 898 NH1 ARG A 60 6.244 -6.816 -14.156 1.00 0.00 N ATOM 899 NH2 ARG A 60 6.992 -8.953 -13.811 1.00 0.00 N ATOM 0 H ARG A 60 5.787 -4.381 -9.485 1.00 0.00 H new ATOM 0 HA ARG A 60 3.335 -4.476 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.721 -6.007 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.782 -4.753 -10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.716 -6.329 -10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.635 -7.583 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.344 -7.433 -12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.455 -6.206 -12.677 1.00 0.00 H new ATOM 0 HE ARG A 60 5.227 -9.045 -12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.613 -6.050 -13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.930 -6.700 -14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.941 -9.840 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.675 -8.829 -14.559 1.00 0.00 H new ATOM 913 N LYS A 61 5.126 -7.142 -7.606 1.00 0.00 N ATOM 914 CA LYS A 61 5.237 -8.349 -6.793 1.00 0.00 C ATOM 915 C LYS A 61 4.820 -8.078 -5.351 1.00 0.00 C ATOM 916 O LYS A 61 3.906 -8.715 -4.820 1.00 0.00 O ATOM 917 CB LYS A 61 6.692 -8.864 -6.846 1.00 0.00 C ATOM 918 CG LYS A 61 6.975 -10.125 -6.020 1.00 0.00 C ATOM 919 CD LYS A 61 7.283 -9.825 -4.553 1.00 0.00 C ATOM 920 CE LYS A 61 7.648 -11.089 -3.782 1.00 0.00 C ATOM 921 NZ LYS A 61 6.613 -12.152 -3.923 1.00 0.00 N ATOM 0 H LYS A 61 5.983 -6.901 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 61 4.566 -9.109 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.950 -9.066 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.353 -8.069 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.113 -10.789 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.817 -10.659 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.105 -9.112 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.417 -9.353 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.606 -11.467 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.775 -10.845 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.823 -12.931 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.677 -11.756 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.616 -12.512 -4.899 1.00 0.00 H new ATOM 935 N SER A 62 5.494 -7.125 -4.734 1.00 0.00 N ATOM 936 CA SER A 62 5.329 -6.853 -3.315 1.00 0.00 C ATOM 937 C SER A 62 3.959 -6.236 -3.018 1.00 0.00 C ATOM 938 O SER A 62 3.279 -6.634 -2.070 1.00 0.00 O ATOM 939 CB SER A 62 6.457 -5.933 -2.855 1.00 0.00 C ATOM 940 OG SER A 62 7.720 -6.458 -3.226 1.00 0.00 O ATOM 0 H SER A 62 6.170 -6.519 -5.199 1.00 0.00 H new ATOM 0 HA SER A 62 5.377 -7.792 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.327 -4.944 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.413 -5.810 -1.773 1.00 0.00 H new ATOM 0 HG SER A 62 8.286 -5.736 -3.571 1.00 0.00 H new ATOM 946 N PHE A 63 3.548 -5.281 -3.850 1.00 0.00 N ATOM 947 CA PHE A 63 2.265 -4.596 -3.667 1.00 0.00 C ATOM 948 C PHE A 63 1.081 -5.523 -3.955 1.00 0.00 C ATOM 949 O PHE A 63 -0.068 -5.172 -3.685 1.00 0.00 O ATOM 950 CB PHE A 63 2.188 -3.346 -4.554 1.00 0.00 C ATOM 951 CG PHE A 63 3.149 -2.257 -4.144 1.00 0.00 C ATOM 952 CD1 PHE A 63 2.857 -1.426 -3.069 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.341 -2.065 -4.825 1.00 0.00 C ATOM 954 CE1 PHE A 63 3.733 -0.427 -2.689 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.219 -1.067 -4.448 1.00 0.00 C ATOM 956 CZ PHE A 63 4.916 -0.248 -3.379 1.00 0.00 C ATOM 0 H PHE A 63 4.083 -4.962 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 63 2.204 -4.293 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.392 -3.630 -5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.172 -2.952 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.935 -1.563 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.586 -2.704 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.493 0.213 -1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.143 -0.928 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.603 0.531 -3.083 1.00 0.00 H new ATOM 966 N ALA A 64 1.362 -6.705 -4.502 1.00 0.00 N ATOM 967 CA ALA A 64 0.319 -7.690 -4.787 1.00 0.00 C ATOM 968 C ALA A 64 -0.081 -8.453 -3.522 1.00 0.00 C ATOM 969 O ALA A 64 -1.052 -9.209 -3.523 1.00 0.00 O ATOM 970 CB ALA A 64 0.785 -8.660 -5.868 1.00 0.00 C ATOM 0 H ALA A 64 2.303 -7.004 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.559 -7.155 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.002 -9.387 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.010 -8.107 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.681 -9.180 -5.529 1.00 0.00 H new ATOM 976 N SER A 65 0.680 -8.263 -2.448 1.00 0.00 N ATOM 977 CA SER A 65 0.407 -8.928 -1.177 1.00 0.00 C ATOM 978 C SER A 65 0.868 -8.063 -0.001 1.00 0.00 C ATOM 979 O SER A 65 2.041 -8.089 0.382 1.00 0.00 O ATOM 980 CB SER A 65 1.098 -10.300 -1.137 1.00 0.00 C ATOM 981 OG SER A 65 0.602 -11.155 -2.158 1.00 0.00 O ATOM 0 H SER A 65 1.495 -7.650 -2.433 1.00 0.00 H new ATOM 0 HA SER A 65 -0.670 -9.075 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.174 -10.172 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.939 -10.762 -0.163 1.00 0.00 H new ATOM 0 HG SER A 65 1.060 -12.020 -2.111 1.00 0.00 H new ATOM 987 N ILE A 66 -0.070 -7.305 0.571 1.00 0.00 N ATOM 988 CA ILE A 66 0.236 -6.380 1.664 1.00 0.00 C ATOM 989 C ILE A 66 0.827 -7.117 2.866 1.00 0.00 C ATOM 990 O ILE A 66 1.817 -6.676 3.454 1.00 0.00 O ATOM 991 CB ILE A 66 -1.022 -5.591 2.111 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.564 -4.733 0.953 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.713 -4.721 3.330 1.00 0.00 C ATOM 994 CD1 ILE A 66 -0.580 -3.702 0.435 1.00 0.00 C ATOM 0 H ILE A 66 -1.052 -7.314 0.294 1.00 0.00 H new ATOM 0 HA ILE A 66 0.974 -5.675 1.282 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.791 -6.309 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.852 -5.390 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.468 -4.222 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.610 -4.177 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.384 -5.354 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.076 -4.011 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.037 -3.139 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.310 -3.020 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.316 -4.205 0.070 1.00 0.00 H new ATOM 1006 N LYS A 67 0.226 -8.252 3.214 1.00 0.00 N ATOM 1007 CA LYS A 67 0.677 -9.033 4.366 1.00 0.00 C ATOM 1008 C LYS A 67 2.134 -9.474 4.199 1.00 0.00 C ATOM 1009 O LYS A 67 2.837 -9.698 5.181 1.00 0.00 O ATOM 1010 CB LYS A 67 -0.223 -10.259 4.613 1.00 0.00 C ATOM 1011 CG LYS A 67 -0.111 -11.365 3.563 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.941 -11.084 2.315 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.804 -12.205 1.289 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.177 -13.536 1.846 1.00 0.00 N ATOM 0 H LYS A 67 -0.571 -8.651 2.718 1.00 0.00 H new ATOM 0 HA LYS A 67 0.607 -8.382 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.021 -10.679 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.260 -9.926 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.934 -11.485 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.432 -12.310 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.989 -10.969 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.623 -10.141 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.436 -11.985 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.224 -12.240 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.320 -14.111 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.650 -13.408 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.822 -14.019 1.189 1.00 0.00 H new ATOM 1028 N ALA A 68 2.575 -9.620 2.954 1.00 0.00 N ATOM 1029 CA ALA A 68 3.950 -10.021 2.669 1.00 0.00 C ATOM 1030 C ALA A 68 4.895 -8.819 2.741 1.00 0.00 C ATOM 1031 O ALA A 68 5.910 -8.853 3.441 1.00 0.00 O ATOM 1032 CB ALA A 68 4.034 -10.688 1.299 1.00 0.00 C ATOM 0 H ALA A 68 2.001 -9.467 2.125 1.00 0.00 H new ATOM 0 HA ALA A 68 4.261 -10.741 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.065 -10.982 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.396 -11.571 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.702 -9.988 0.532 1.00 0.00 H new ATOM 1038 N ILE A 69 4.532 -7.750 2.032 1.00 0.00 N ATOM 1039 CA ILE A 69 5.386 -6.568 1.908 1.00 0.00 C ATOM 1040 C ILE A 69 5.635 -5.907 3.269 1.00 0.00 C ATOM 1041 O ILE A 69 6.704 -5.331 3.499 1.00 0.00 O ATOM 1042 CB ILE A 69 4.781 -5.533 0.915 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.781 -4.403 0.619 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.473 -4.958 1.451 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.274 -3.389 -0.389 1.00 0.00 C ATOM 0 H ILE A 69 3.646 -7.678 1.532 1.00 0.00 H new ATOM 0 HA ILE A 69 6.343 -6.909 1.513 1.00 0.00 H new ATOM 0 HB ILE A 69 4.568 -6.056 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.020 -3.889 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.709 -4.839 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.073 -4.238 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.754 -5.764 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.657 -4.461 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.033 -2.623 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.062 -3.890 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.363 -2.925 -0.011 1.00 0.00 H new ATOM 1057 N GLU A 70 4.651 -5.997 4.170 1.00 0.00 N ATOM 1058 CA GLU A 70 4.760 -5.378 5.493 1.00 0.00 C ATOM 1059 C GLU A 70 6.014 -5.866 6.219 1.00 0.00 C ATOM 1060 O GLU A 70 6.672 -5.098 6.921 1.00 0.00 O ATOM 1061 CB GLU A 70 3.496 -5.646 6.336 1.00 0.00 C ATOM 1062 CG GLU A 70 3.278 -7.107 6.747 1.00 0.00 C ATOM 1063 CD GLU A 70 3.770 -7.431 8.158 1.00 0.00 C ATOM 1064 OE1 GLU A 70 3.185 -6.902 9.129 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.726 -8.224 8.308 1.00 0.00 O ATOM 0 H GLU A 70 3.774 -6.491 4.007 1.00 0.00 H new ATOM 0 HA GLU A 70 4.847 -4.300 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.545 -5.036 7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.626 -5.311 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.215 -7.339 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.790 -7.755 6.036 1.00 0.00 H new ATOM 1072 N ASP A 71 6.358 -7.132 6.017 1.00 0.00 N ATOM 1073 CA ASP A 71 7.522 -7.725 6.666 1.00 0.00 C ATOM 1074 C ASP A 71 8.805 -7.122 6.100 1.00 0.00 C ATOM 1075 O ASP A 71 9.754 -6.842 6.835 1.00 0.00 O ATOM 1076 CB ASP A 71 7.521 -9.246 6.476 1.00 0.00 C ATOM 1077 CG ASP A 71 8.609 -9.937 7.284 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.346 -10.309 8.450 1.00 0.00 O ATOM 1079 OD2 ASP A 71 9.724 -10.126 6.759 1.00 0.00 O ATOM 0 H ASP A 71 5.846 -7.770 5.407 1.00 0.00 H new ATOM 0 HA ASP A 71 7.474 -7.508 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.549 -9.644 6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.656 -9.477 5.419 1.00 0.00 H new ATOM 1084 N THR A 72 8.809 -6.894 4.790 1.00 0.00 N ATOM 1085 CA THR A 72 9.982 -6.373 4.101 1.00 0.00 C ATOM 1086 C THR A 72 10.264 -4.923 4.508 1.00 0.00 C ATOM 1087 O THR A 72 11.423 -4.524 4.646 1.00 0.00 O ATOM 1088 CB THR A 72 9.805 -6.465 2.569 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.321 -7.770 2.223 1.00 0.00 O ATOM 1090 CG2 THR A 72 11.125 -6.206 1.842 1.00 0.00 C ATOM 0 H THR A 72 8.007 -7.064 4.183 1.00 0.00 H new ATOM 0 HA THR A 72 10.834 -6.986 4.394 1.00 0.00 H new ATOM 0 HB THR A 72 9.089 -5.703 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.207 -7.829 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.968 -6.278 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.487 -5.208 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.862 -6.947 2.151 1.00 0.00 H new ATOM 1098 N VAL A 73 9.204 -4.138 4.707 1.00 0.00 N ATOM 1099 CA VAL A 73 9.360 -2.747 5.141 1.00 0.00 C ATOM 1100 C VAL A 73 9.725 -2.688 6.628 1.00 0.00 C ATOM 1101 O VAL A 73 10.421 -1.775 7.070 1.00 0.00 O ATOM 1102 CB VAL A 73 8.090 -1.895 4.857 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.881 -2.419 5.624 1.00 0.00 C ATOM 1104 CG2 VAL A 73 8.338 -0.419 5.176 1.00 0.00 C ATOM 0 H VAL A 73 8.237 -4.437 4.577 1.00 0.00 H new ATOM 0 HA VAL A 73 10.173 -2.316 4.557 1.00 0.00 H new ATOM 0 HB VAL A 73 7.869 -1.982 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.012 -1.799 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.679 -3.448 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.086 -2.385 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.435 0.155 4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.602 -0.313 6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.155 -0.045 4.558 1.00 0.00 H new ATOM 1114 N LYS A 74 9.265 -3.680 7.392 1.00 0.00 N ATOM 1115 CA LYS A 74 9.623 -3.801 8.810 1.00 0.00 C ATOM 1116 C LYS A 74 11.139 -3.937 8.972 1.00 0.00 C ATOM 1117 O LYS A 74 11.715 -3.454 9.950 1.00 0.00 O ATOM 1118 CB LYS A 74 8.898 -5.002 9.443 1.00 0.00 C ATOM 1119 CG LYS A 74 7.458 -4.699 9.863 1.00 0.00 C ATOM 1120 CD LYS A 74 6.583 -5.952 9.902 1.00 0.00 C ATOM 1121 CE LYS A 74 7.175 -7.068 10.755 1.00 0.00 C ATOM 1122 NZ LYS A 74 6.292 -8.266 10.770 1.00 0.00 N ATOM 0 H LYS A 74 8.642 -4.414 7.054 1.00 0.00 H new ATOM 0 HA LYS A 74 9.306 -2.895 9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.894 -5.828 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.459 -5.335 10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.461 -4.231 10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.025 -3.979 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.599 -5.689 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.437 -6.318 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.156 -7.342 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.323 -6.710 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.875 -9.127 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.677 -8.233 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.706 -8.276 9.911 1.00 0.00 H new ATOM 1136 N LEU A 75 11.777 -4.580 7.995 1.00 0.00 N ATOM 1137 CA LEU A 75 13.232 -4.743 7.989 1.00 0.00 C ATOM 1138 C LEU A 75 13.933 -3.382 8.026 1.00 0.00 C ATOM 1139 O LEU A 75 15.021 -3.246 8.593 1.00 0.00 O ATOM 1140 CB LEU A 75 13.673 -5.526 6.744 1.00 0.00 C ATOM 1141 CG LEU A 75 13.130 -6.960 6.640 1.00 0.00 C ATOM 1142 CD1 LEU A 75 13.542 -7.597 5.314 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.608 -7.806 7.821 1.00 0.00 C ATOM 0 H LEU A 75 11.307 -4.999 7.193 1.00 0.00 H new ATOM 0 HA LEU A 75 13.516 -5.302 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.361 -4.972 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.762 -5.566 6.728 1.00 0.00 H new ATOM 0 HG LEU A 75 12.041 -6.917 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.148 -8.612 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.143 -7.008 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.630 -7.626 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.212 -8.817 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.697 -7.842 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.255 -7.363 8.752 1.00 0.00 H new ATOM 1155 N ILE A 76 13.297 -2.377 7.424 1.00 0.00 N ATOM 1156 CA ILE A 76 13.849 -1.024 7.390 1.00 0.00 C ATOM 1157 C ILE A 76 13.892 -0.440 8.799 1.00 0.00 C ATOM 1158 O ILE A 76 14.841 0.246 9.175 1.00 0.00 O ATOM 1159 CB ILE A 76 13.015 -0.095 6.472 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.889 -0.704 5.067 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.644 1.298 6.402 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.990 0.084 4.138 1.00 0.00 C ATOM 0 H ILE A 76 12.398 -2.475 6.953 1.00 0.00 H new ATOM 0 HA ILE A 76 14.860 -1.088 6.987 1.00 0.00 H new ATOM 0 HB ILE A 76 12.016 0.003 6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.881 -0.776 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.504 -1.720 5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.044 1.936 5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.682 1.731 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.655 1.221 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.951 -0.408 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.986 0.135 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.385 1.093 4.019 1.00 0.00 H new ATOM 1174 N LEU A 77 12.859 -0.736 9.580 1.00 0.00 N ATOM 1175 CA LEU A 77 12.775 -0.276 10.965 1.00 0.00 C ATOM 1176 C LEU A 77 13.792 -1.014 11.832 1.00 0.00 C ATOM 1177 O LEU A 77 14.264 -0.487 12.840 1.00 0.00 O ATOM 1178 CB LEU A 77 11.354 -0.467 11.526 1.00 0.00 C ATOM 1179 CG LEU A 77 10.278 0.490 10.973 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.650 1.948 11.243 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.044 0.259 9.481 1.00 0.00 C ATOM 0 H LEU A 77 12.062 -1.296 9.277 1.00 0.00 H new ATOM 0 HA LEU A 77 13.005 0.789 10.983 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.040 -1.491 11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.393 -0.352 12.609 1.00 0.00 H new ATOM 0 HG LEU A 77 9.346 0.274 11.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.875 2.601 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.740 2.108 12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.601 2.176 10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.280 0.949 9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.973 0.430 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.712 -0.766 9.319 1.00 0.00 H new ATOM 1193 N ASP A 78 14.115 -2.240 11.432 1.00 0.00 N ATOM 1194 CA ASP A 78 15.070 -3.072 12.165 1.00 0.00 C ATOM 1195 C ASP A 78 16.465 -2.447 12.163 1.00 0.00 C ATOM 1196 O ASP A 78 17.166 -2.462 13.178 1.00 0.00 O ATOM 1197 CB ASP A 78 15.120 -4.484 11.562 1.00 0.00 C ATOM 1198 CG ASP A 78 16.099 -5.401 12.283 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.736 -5.941 13.350 1.00 0.00 O ATOM 1200 OD2 ASP A 78 17.226 -5.602 11.777 1.00 0.00 O ATOM 0 H ASP A 78 13.728 -2.684 10.599 1.00 0.00 H new ATOM 0 HA ASP A 78 14.732 -3.139 13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.124 -4.924 11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.401 -4.415 10.511 1.00 0.00 H new ATOM 1205 N GLY A 79 16.865 -1.903 11.021 1.00 0.00 N ATOM 1206 CA GLY A 79 18.157 -1.244 10.922 1.00 0.00 C ATOM 1207 C GLY A 79 18.056 0.247 11.181 1.00 0.00 C ATOM 1208 O GLY A 79 18.810 0.799 11.985 1.00 0.00 O ATOM 0 H GLY A 79 16.319 -1.905 10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.847 -1.690 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.574 -1.412 9.929 1.00 0.00 H new ATOM 1212 N LYS A 80 17.100 0.878 10.504 1.00 0.00 N ATOM 1213 CA LYS A 80 16.860 2.317 10.570 1.00 0.00 C ATOM 1214 C LYS A 80 18.086 3.113 10.144 1.00 0.00 C ATOM 1215 O LYS A 80 18.167 3.615 9.019 1.00 0.00 O ATOM 1216 CB LYS A 80 16.406 2.743 11.980 1.00 0.00 C ATOM 1217 CG LYS A 80 14.912 2.555 12.229 1.00 0.00 C ATOM 1218 CD LYS A 80 14.077 3.412 11.279 1.00 0.00 C ATOM 1219 CE LYS A 80 14.375 4.899 11.453 1.00 0.00 C ATOM 1220 NZ LYS A 80 13.727 5.730 10.406 1.00 0.00 N ATOM 0 H LYS A 80 16.456 0.392 9.880 1.00 0.00 H new ATOM 0 HA LYS A 80 16.056 2.539 9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.963 2.169 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.661 3.792 12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.649 1.505 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.677 2.818 13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.280 3.118 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.018 3.229 11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.032 5.224 12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.453 5.057 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.455 6.127 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.074 5.141 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.198 6.505 10.855 1.00 0.00 H new ATOM 1234 N GLU A 81 19.043 3.185 11.043 1.00 0.00 N ATOM 1235 CA GLU A 81 20.220 4.033 10.868 1.00 0.00 C ATOM 1236 C GLU A 81 21.399 3.492 11.686 1.00 0.00 C ATOM 1237 O GLU A 81 22.406 4.173 11.891 1.00 0.00 O ATOM 1238 CB GLU A 81 19.868 5.475 11.278 1.00 0.00 C ATOM 1239 CG GLU A 81 20.941 6.509 10.951 1.00 0.00 C ATOM 1240 CD GLU A 81 20.462 7.933 11.172 1.00 0.00 C ATOM 1241 OE1 GLU A 81 20.530 8.421 12.321 1.00 0.00 O ATOM 1242 OE2 GLU A 81 20.010 8.571 10.196 1.00 0.00 O ATOM 0 H GLU A 81 19.035 2.661 11.918 1.00 0.00 H new ATOM 0 HA GLU A 81 20.522 4.029 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.941 5.764 10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.676 5.497 12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.819 6.324 11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 81 21.251 6.390 9.913 1.00 0.00 H new ATOM 1249 N ALA A 82 21.275 2.249 12.136 1.00 0.00 N ATOM 1250 CA ALA A 82 22.336 1.606 12.895 1.00 0.00 C ATOM 1251 C ALA A 82 23.442 1.144 11.952 1.00 0.00 C ATOM 1252 O ALA A 82 23.354 0.066 11.357 1.00 0.00 O ATOM 1253 CB ALA A 82 21.783 0.434 13.702 1.00 0.00 C ATOM 0 H ALA A 82 20.450 1.668 11.988 1.00 0.00 H new ATOM 0 HA ALA A 82 22.756 2.327 13.596 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.591 -0.035 14.263 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.023 0.795 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.340 -0.297 13.025 1.00 0.00 H new ATOM 1259 N ALA A 83 24.451 1.989 11.773 1.00 0.00 N ATOM 1260 CA ALA A 83 25.587 1.669 10.917 1.00 0.00 C ATOM 1261 C ALA A 83 26.701 1.021 11.742 1.00 0.00 C ATOM 1262 O ALA A 83 27.636 1.734 12.165 1.00 0.00 O ATOM 1263 CB ALA A 83 26.082 2.929 10.205 1.00 0.00 C ATOM 1264 OXT ALA A 83 26.619 -0.201 11.989 1.00 0.00 O ATOM 0 H ALA A 83 24.505 2.908 12.213 1.00 0.00 H new ATOM 0 HA ALA A 83 25.273 0.955 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 83 26.931 2.678 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 83 25.279 3.341 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 83 26.390 3.668 10.945 1.00 0.00 H new TER 1270 ALA A 83