USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.177 K(o=0.19,f=-0.66) USER MOD Set 1.2: A 61 THR OG1 : rot 96:sc= 0.99 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -0.976 K(o=0.19,f=-5.5!) USER MOD Set 1.4: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 95 GLN : amide:sc= 0.98 K(o=2.1,f=-1.7) USER MOD Set 2.2: A 98 SER OG : rot 157:sc= 1.17 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.419 F(o=-0.97,f=-0.42) USER MOD Single : A 29 SER OG : rot -130:sc= 0.617 USER MOD Single : A 35 SER OG : rot 89:sc= 1.26 USER MOD Single : A 41 MET CE :methyl -163:sc= 0 (180deg=-0.132) USER MOD Single : A 44 ASN : amide:sc= -0.0464 K(o=-0.046,f=-2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.23) USER MOD Single : A 69 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 71 MET CE :methyl -156:sc=-0.00772 (180deg=-0.609) USER MOD Single : A 75 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 77 SER OG : rot 81:sc= 0.214 USER MOD Single : A 79 SER OG : rot 64:sc= 0.497 USER MOD Single : A 85 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 89 SER OG : rot -71:sc= 1.2 USER MOD Single : A 93 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0099) USER MOD Single : A 109 SER OG : rot 84:sc= 1.23 USER MOD Single : A 110 LYS NZ :NH3+ 177:sc=-0.00628 (180deg=-0.0308) USER MOD Single : A 111 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.2) USER MOD Single : A 112 THR OG1 : rot 124:sc= 1.16 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0508 K(o=-0.051,f=-0.56) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 171:sc=-0.00274 (180deg=-0.129) USER MOD Single : A 136 SER OG : rot 180:sc= 0.047 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 2.607 27.473 -7.133 1.00 0.00 N ATOM 2 CA MET A 23 2.895 26.667 -5.932 1.00 0.00 C ATOM 3 C MET A 23 3.991 25.659 -6.257 1.00 0.00 C ATOM 4 O MET A 23 4.136 25.263 -7.413 1.00 0.00 O ATOM 5 CB MET A 23 1.618 25.963 -5.434 1.00 0.00 C ATOM 6 CG MET A 23 1.757 25.283 -4.069 1.00 0.00 C ATOM 7 SD MET A 23 2.483 26.329 -2.784 1.00 0.00 S ATOM 8 CE MET A 23 2.453 25.163 -1.398 1.00 0.00 C ATOM 0 HA MET A 23 3.242 27.318 -5.130 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.812 26.695 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.321 25.215 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.772 24.954 -3.739 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.370 24.389 -4.183 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.868 25.642 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.425 24.860 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.048 24.285 -1.648 1.00 0.00 H new ATOM 20 N LYS A 24 4.758 25.198 -5.265 1.00 0.00 N ATOM 21 CA LYS A 24 5.618 24.027 -5.453 1.00 0.00 C ATOM 22 C LYS A 24 4.768 22.771 -5.707 1.00 0.00 C ATOM 23 O LYS A 24 3.535 22.822 -5.632 1.00 0.00 O ATOM 24 CB LYS A 24 6.560 23.869 -4.245 1.00 0.00 C ATOM 25 CG LYS A 24 5.840 23.572 -2.913 1.00 0.00 C ATOM 26 CD LYS A 24 6.474 22.397 -2.160 1.00 0.00 C ATOM 27 CE LYS A 24 7.820 22.739 -1.511 1.00 0.00 C ATOM 28 NZ LYS A 24 8.342 21.590 -0.742 1.00 0.00 N ATOM 0 H LYS A 24 4.801 25.612 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 24 6.242 24.169 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.264 23.063 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.144 24.782 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.865 24.461 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.791 23.351 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.784 22.056 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.614 21.566 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.538 23.023 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.702 23.599 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.254 21.846 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.665 21.337 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.475 20.778 -1.378 1.00 0.00 H new ATOM 42 N VAL A 25 5.397 21.640 -6.008 1.00 0.00 N ATOM 43 CA VAL A 25 4.724 20.347 -6.034 1.00 0.00 C ATOM 44 C VAL A 25 4.847 19.797 -4.611 1.00 0.00 C ATOM 45 O VAL A 25 5.978 19.676 -4.137 1.00 0.00 O ATOM 46 CB VAL A 25 5.390 19.386 -7.035 1.00 0.00 C ATOM 47 CG1 VAL A 25 4.506 18.139 -7.211 1.00 0.00 C ATOM 48 CG2 VAL A 25 5.589 20.022 -8.415 1.00 0.00 C ATOM 0 H VAL A 25 6.389 21.594 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 25 3.686 20.450 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 25 6.369 19.131 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.976 17.457 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.387 17.639 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.528 18.437 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.062 19.302 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.622 20.315 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.225 20.902 -8.322 1.00 0.00 H new ATOM 58 N PRO A 26 3.755 19.466 -3.902 1.00 0.00 N ATOM 59 CA PRO A 26 3.866 18.921 -2.552 1.00 0.00 C ATOM 60 C PRO A 26 4.668 17.607 -2.569 1.00 0.00 C ATOM 61 O PRO A 26 4.626 16.899 -3.581 1.00 0.00 O ATOM 62 CB PRO A 26 2.429 18.720 -2.068 1.00 0.00 C ATOM 63 CG PRO A 26 1.584 18.684 -3.338 1.00 0.00 C ATOM 64 CD PRO A 26 2.370 19.538 -4.331 1.00 0.00 C ATOM 0 HA PRO A 26 4.404 19.587 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.329 17.794 -1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.117 19.531 -1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.455 17.665 -3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.587 19.089 -3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.255 19.162 -5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.013 20.568 -4.330 1.00 0.00 H new ATOM 72 N PRO A 27 5.391 17.248 -1.494 1.00 0.00 N ATOM 73 CA PRO A 27 6.034 15.951 -1.384 1.00 0.00 C ATOM 74 C PRO A 27 4.982 14.845 -1.315 1.00 0.00 C ATOM 75 O PRO A 27 3.980 14.994 -0.604 1.00 0.00 O ATOM 76 CB PRO A 27 6.885 15.980 -0.111 1.00 0.00 C ATOM 77 CG PRO A 27 6.913 17.447 0.313 1.00 0.00 C ATOM 78 CD PRO A 27 5.646 18.032 -0.303 1.00 0.00 C ATOM 0 HA PRO A 27 6.659 15.746 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.452 15.352 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.891 15.605 -0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.913 17.549 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.806 17.952 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.809 17.971 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.781 19.085 -0.549 1.00 0.00 H new ATOM 86 N HIS A 28 5.219 13.734 -2.019 1.00 0.00 N ATOM 87 CA HIS A 28 4.388 12.542 -1.896 1.00 0.00 C ATOM 88 C HIS A 28 5.056 11.287 -2.458 1.00 0.00 C ATOM 89 O HIS A 28 5.206 10.315 -1.724 1.00 0.00 O ATOM 90 CB HIS A 28 2.992 12.746 -2.526 1.00 0.00 C ATOM 91 CG HIS A 28 2.911 13.602 -3.766 1.00 0.00 C ATOM 92 ND1 HIS A 28 3.218 13.237 -5.047 1.00 0.00 N flip ATOM 93 CD2 HIS A 28 2.434 14.890 -3.809 1.00 0.00 C flip ATOM 94 CE1 HIS A 28 2.925 14.317 -5.885 1.00 0.00 C flip ATOM 95 NE2 HIS A 28 2.466 15.297 -5.088 1.00 0.00 N flip ATOM 0 H HIS A 28 5.987 13.640 -2.684 1.00 0.00 H new ATOM 0 HA HIS A 28 4.259 12.382 -0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.584 11.764 -2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.341 13.185 -1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.094 15.471 -2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.044 14.356 -6.958 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.181 16.222 -5.410 1.00 0.00 H new ATOM 103 N SER A 29 5.485 11.292 -3.723 1.00 0.00 N ATOM 104 CA SER A 29 5.906 10.076 -4.421 1.00 0.00 C ATOM 105 C SER A 29 4.786 9.011 -4.379 1.00 0.00 C ATOM 106 O SER A 29 5.018 7.855 -4.035 1.00 0.00 O ATOM 107 CB SER A 29 7.271 9.565 -3.926 1.00 0.00 C ATOM 108 OG SER A 29 8.313 10.502 -4.164 1.00 0.00 O ATOM 0 H SER A 29 5.550 12.137 -4.290 1.00 0.00 H new ATOM 0 HA SER A 29 6.065 10.318 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.212 9.353 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.508 8.626 -4.425 1.00 0.00 H new ATOM 0 HG SER A 29 9.064 10.051 -4.603 1.00 0.00 H new ATOM 114 N ILE A 30 3.567 9.411 -4.778 1.00 0.00 N ATOM 115 CA ILE A 30 2.392 8.554 -4.974 1.00 0.00 C ATOM 116 C ILE A 30 2.804 7.311 -5.741 1.00 0.00 C ATOM 117 O ILE A 30 2.482 6.200 -5.351 1.00 0.00 O ATOM 118 CB ILE A 30 1.311 9.340 -5.783 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.768 10.579 -5.051 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.121 8.514 -6.314 1.00 0.00 C ATOM 121 CD1 ILE A 30 0.101 10.255 -3.721 1.00 0.00 C ATOM 0 H ILE A 30 3.367 10.390 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 30 1.979 8.263 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 30 1.890 9.652 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.587 11.277 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.049 11.086 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.561 9.167 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.488 7.735 -6.982 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.406 8.055 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.258 11.175 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.739 9.582 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.823 9.776 -3.059 1.00 0.00 H new ATOM 133 N GLU A 31 3.420 7.481 -6.898 1.00 0.00 N ATOM 134 CA GLU A 31 3.709 6.350 -7.758 1.00 0.00 C ATOM 135 C GLU A 31 4.735 5.387 -7.164 1.00 0.00 C ATOM 136 O GLU A 31 4.671 4.190 -7.429 1.00 0.00 O ATOM 137 CB GLU A 31 3.995 6.882 -9.146 1.00 0.00 C ATOM 138 CG GLU A 31 2.610 7.256 -9.725 1.00 0.00 C ATOM 139 CD GLU A 31 2.722 8.220 -10.893 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.876 9.442 -10.636 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.643 7.787 -12.061 1.00 0.00 O ATOM 0 H GLU A 31 3.727 8.384 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 31 2.843 5.694 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.654 7.749 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.491 6.132 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.097 6.351 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.999 7.705 -8.942 1.00 0.00 H new ATOM 148 N ALA A 32 5.650 5.879 -6.332 1.00 0.00 N ATOM 149 CA ALA A 32 6.525 5.035 -5.521 1.00 0.00 C ATOM 150 C ALA A 32 5.696 4.237 -4.507 1.00 0.00 C ATOM 151 O ALA A 32 5.866 3.022 -4.417 1.00 0.00 O ATOM 152 CB ALA A 32 7.607 5.857 -4.815 1.00 0.00 C ATOM 0 H ALA A 32 5.806 6.878 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 32 7.033 4.338 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.238 5.195 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.217 6.370 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.137 6.592 -4.162 1.00 0.00 H new ATOM 158 N GLU A 33 4.771 4.895 -3.794 1.00 0.00 N ATOM 159 CA GLU A 33 3.802 4.243 -2.910 1.00 0.00 C ATOM 160 C GLU A 33 3.071 3.125 -3.679 1.00 0.00 C ATOM 161 O GLU A 33 2.996 1.987 -3.208 1.00 0.00 O ATOM 162 CB GLU A 33 2.811 5.274 -2.311 1.00 0.00 C ATOM 163 CG GLU A 33 3.281 6.069 -1.081 1.00 0.00 C ATOM 164 CD GLU A 33 2.143 6.862 -0.405 1.00 0.00 C ATOM 165 OE1 GLU A 33 0.950 6.647 -0.719 1.00 0.00 O ATOM 166 OE2 GLU A 33 2.418 7.747 0.432 1.00 0.00 O ATOM 0 H GLU A 33 4.676 5.910 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 33 4.332 3.792 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.550 5.986 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.896 4.746 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.718 5.382 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.069 6.760 -1.381 1.00 0.00 H new ATOM 173 N GLN A 34 2.575 3.418 -4.887 1.00 0.00 N ATOM 174 CA GLN A 34 1.873 2.453 -5.730 1.00 0.00 C ATOM 175 C GLN A 34 2.788 1.309 -6.165 1.00 0.00 C ATOM 176 O GLN A 34 2.346 0.162 -6.216 1.00 0.00 O ATOM 177 CB GLN A 34 1.298 3.119 -6.986 1.00 0.00 C ATOM 178 CG GLN A 34 0.195 4.106 -6.608 1.00 0.00 C ATOM 179 CD GLN A 34 -0.526 4.729 -7.791 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.093 4.636 -8.935 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.639 5.395 -7.541 1.00 0.00 N ATOM 0 H GLN A 34 2.653 4.344 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 34 1.061 2.054 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.090 3.638 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.900 2.359 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.536 3.593 -5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.629 4.902 -6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.988 5.465 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.150 5.840 -8.304 1.00 0.00 H new ATOM 190 N SER A 35 4.040 1.614 -6.508 1.00 0.00 N ATOM 191 CA SER A 35 5.019 0.646 -6.980 1.00 0.00 C ATOM 192 C SER A 35 5.309 -0.386 -5.894 1.00 0.00 C ATOM 193 O SER A 35 5.377 -1.579 -6.193 1.00 0.00 O ATOM 194 CB SER A 35 6.304 1.369 -7.400 1.00 0.00 C ATOM 195 OG SER A 35 6.062 2.223 -8.507 1.00 0.00 O ATOM 0 H SER A 35 4.406 2.565 -6.463 1.00 0.00 H new ATOM 0 HA SER A 35 4.615 0.123 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.689 1.951 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.070 0.638 -7.659 1.00 0.00 H new ATOM 0 HG SER A 35 5.790 3.108 -8.184 1.00 0.00 H new ATOM 201 N VAL A 36 5.442 0.055 -4.640 1.00 0.00 N ATOM 202 CA VAL A 36 5.610 -0.833 -3.500 1.00 0.00 C ATOM 203 C VAL A 36 4.374 -1.710 -3.357 1.00 0.00 C ATOM 204 O VAL A 36 4.499 -2.933 -3.361 1.00 0.00 O ATOM 205 CB VAL A 36 5.895 -0.003 -2.228 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.836 -0.833 -0.942 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.276 0.653 -2.304 1.00 0.00 C ATOM 0 H VAL A 36 5.435 1.044 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 36 6.465 -1.491 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 36 5.108 0.750 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.045 -0.192 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.843 -1.269 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.578 -1.630 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.454 1.232 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.040 -0.118 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.318 1.313 -3.170 1.00 0.00 H new ATOM 217 N LEU A 37 3.193 -1.107 -3.218 1.00 0.00 N ATOM 218 CA LEU A 37 1.985 -1.865 -2.913 1.00 0.00 C ATOM 219 C LEU A 37 1.654 -2.852 -4.026 1.00 0.00 C ATOM 220 O LEU A 37 1.247 -3.971 -3.737 1.00 0.00 O ATOM 221 CB LEU A 37 0.813 -0.915 -2.662 1.00 0.00 C ATOM 222 CG LEU A 37 0.975 -0.096 -1.369 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.220 0.845 -1.249 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.097 -0.964 -0.110 1.00 0.00 C ATOM 0 H LEU A 37 3.050 -0.101 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 37 2.167 -2.442 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.715 -0.234 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.111 -1.491 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 37 1.910 0.460 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.127 1.437 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.248 1.510 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.140 0.262 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.208 -0.323 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.201 -1.574 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.969 -1.612 -0.198 1.00 0.00 H new ATOM 236 N GLY A 38 1.860 -2.460 -5.281 1.00 0.00 N ATOM 237 CA GLY A 38 1.775 -3.354 -6.419 1.00 0.00 C ATOM 238 C GLY A 38 2.785 -4.490 -6.288 1.00 0.00 C ATOM 239 O GLY A 38 2.406 -5.657 -6.379 1.00 0.00 O ATOM 0 H GLY A 38 2.093 -1.499 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.767 -3.763 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.961 -2.799 -7.339 1.00 0.00 H new ATOM 243 N GLY A 39 4.064 -4.177 -6.039 1.00 0.00 N ATOM 244 CA GLY A 39 5.119 -5.181 -5.990 1.00 0.00 C ATOM 245 C GLY A 39 4.893 -6.218 -4.908 1.00 0.00 C ATOM 246 O GLY A 39 5.196 -7.394 -5.122 1.00 0.00 O ATOM 0 H GLY A 39 4.388 -3.225 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.185 -5.680 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.076 -4.688 -5.820 1.00 0.00 H new ATOM 250 N LEU A 40 4.349 -5.796 -3.767 1.00 0.00 N ATOM 251 CA LEU A 40 4.077 -6.675 -2.644 1.00 0.00 C ATOM 252 C LEU A 40 3.045 -7.740 -3.005 1.00 0.00 C ATOM 253 O LEU A 40 3.134 -8.856 -2.495 1.00 0.00 O ATOM 254 CB LEU A 40 3.585 -5.854 -1.445 1.00 0.00 C ATOM 255 CG LEU A 40 4.699 -5.060 -0.739 1.00 0.00 C ATOM 256 CD1 LEU A 40 4.056 -4.075 0.239 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.675 -5.967 0.017 1.00 0.00 C ATOM 0 H LEU A 40 4.085 -4.825 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 40 5.005 -7.183 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.815 -5.160 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.117 -6.525 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 40 5.273 -4.535 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.835 -3.505 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.405 -3.393 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.470 -4.624 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.441 -5.358 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.133 -6.532 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.146 -6.657 -0.683 1.00 0.00 H new ATOM 269 N MET A 41 2.102 -7.442 -3.910 1.00 0.00 N ATOM 270 CA MET A 41 1.119 -8.417 -4.379 1.00 0.00 C ATOM 271 C MET A 41 1.795 -9.598 -5.079 1.00 0.00 C ATOM 272 O MET A 41 1.207 -10.683 -5.134 1.00 0.00 O ATOM 273 CB MET A 41 0.080 -7.795 -5.326 1.00 0.00 C ATOM 274 CG MET A 41 -0.720 -6.650 -4.702 1.00 0.00 C ATOM 275 SD MET A 41 -1.892 -5.896 -5.862 1.00 0.00 S ATOM 276 CE MET A 41 -2.354 -4.403 -4.954 1.00 0.00 C ATOM 0 H MET A 41 2.003 -6.520 -4.334 1.00 0.00 H new ATOM 0 HA MET A 41 0.600 -8.772 -3.488 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.589 -7.426 -6.217 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.611 -8.572 -5.653 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.264 -7.024 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.031 -5.886 -4.341 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.271 -3.991 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.515 -4.650 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.555 -3.666 -5.034 1.00 0.00 H new ATOM 286 N LEU A 42 2.993 -9.407 -5.644 1.00 0.00 N ATOM 287 CA LEU A 42 3.816 -10.492 -6.159 1.00 0.00 C ATOM 288 C LEU A 42 4.652 -11.076 -5.026 1.00 0.00 C ATOM 289 O LEU A 42 4.469 -12.235 -4.660 1.00 0.00 O ATOM 290 CB LEU A 42 4.744 -10.057 -7.303 1.00 0.00 C ATOM 291 CG LEU A 42 4.039 -9.601 -8.591 1.00 0.00 C ATOM 292 CD1 LEU A 42 3.810 -8.087 -8.605 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.927 -9.950 -9.786 1.00 0.00 C ATOM 0 H LEU A 42 3.416 -8.485 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 42 3.136 -11.240 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.374 -9.242 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.406 -10.888 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 42 3.074 -10.104 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.310 -7.803 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.188 -7.805 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.769 -7.573 -8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.439 -9.632 -10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.885 -9.440 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.091 -11.027 -9.815 1.00 0.00 H new ATOM 305 N ASP A 43 5.568 -10.273 -4.496 1.00 0.00 N ATOM 306 CA ASP A 43 6.638 -10.658 -3.573 1.00 0.00 C ATOM 307 C ASP A 43 6.276 -10.256 -2.151 1.00 0.00 C ATOM 308 O ASP A 43 6.493 -9.120 -1.724 1.00 0.00 O ATOM 309 CB ASP A 43 7.956 -10.041 -4.050 1.00 0.00 C ATOM 310 CG ASP A 43 9.207 -10.434 -3.250 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.123 -10.889 -2.084 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.309 -10.286 -3.819 1.00 0.00 O ATOM 0 H ASP A 43 5.588 -9.276 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 43 6.764 -11.741 -3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.111 -10.322 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.858 -8.956 -4.024 1.00 0.00 H new ATOM 317 N ASN A 44 5.660 -11.198 -1.444 1.00 0.00 N ATOM 318 CA ASN A 44 5.163 -10.990 -0.086 1.00 0.00 C ATOM 319 C ASN A 44 6.312 -10.917 0.922 1.00 0.00 C ATOM 320 O ASN A 44 6.165 -10.267 1.956 1.00 0.00 O ATOM 321 CB ASN A 44 4.193 -12.105 0.353 1.00 0.00 C ATOM 322 CG ASN A 44 2.879 -12.214 -0.419 1.00 0.00 C ATOM 323 OD1 ASN A 44 2.028 -13.037 -0.094 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.611 -11.399 -1.422 1.00 0.00 N ATOM 0 H ASN A 44 5.489 -12.138 -1.801 1.00 0.00 H new ATOM 0 HA ASN A 44 4.627 -10.041 -0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.714 -13.059 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.957 -11.956 1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.715 -11.463 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.300 -10.705 -1.713 1.00 0.00 H new ATOM 331 N GLU A 45 7.451 -11.567 0.672 1.00 0.00 N ATOM 332 CA GLU A 45 8.584 -11.549 1.597 1.00 0.00 C ATOM 333 C GLU A 45 9.292 -10.192 1.613 1.00 0.00 C ATOM 334 O GLU A 45 9.809 -9.803 2.666 1.00 0.00 O ATOM 335 CB GLU A 45 9.545 -12.718 1.350 1.00 0.00 C ATOM 336 CG GLU A 45 8.886 -14.033 1.788 1.00 0.00 C ATOM 337 CD GLU A 45 9.881 -15.186 1.862 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.512 -15.376 2.926 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.998 -15.964 0.884 1.00 0.00 O ATOM 0 H GLU A 45 7.612 -12.117 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 45 8.181 -11.692 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.809 -12.767 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.471 -12.563 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.420 -13.895 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.090 -14.288 1.088 1.00 0.00 H new ATOM 346 N ARG A 46 9.171 -9.370 0.560 1.00 0.00 N ATOM 347 CA ARG A 46 9.702 -8.005 0.606 1.00 0.00 C ATOM 348 C ARG A 46 8.839 -7.116 1.496 1.00 0.00 C ATOM 349 O ARG A 46 9.222 -5.971 1.713 1.00 0.00 O ATOM 350 CB ARG A 46 9.782 -7.416 -0.812 1.00 0.00 C ATOM 351 CG ARG A 46 10.968 -7.983 -1.597 1.00 0.00 C ATOM 352 CD ARG A 46 12.297 -7.277 -1.284 1.00 0.00 C ATOM 353 NE ARG A 46 13.421 -8.026 -1.859 1.00 0.00 N ATOM 354 CZ ARG A 46 14.728 -7.794 -1.699 1.00 0.00 C ATOM 355 NH1 ARG A 46 15.193 -6.698 -1.112 1.00 0.00 N ATOM 356 NH2 ARG A 46 15.587 -8.703 -2.137 1.00 0.00 N ATOM 0 H ARG A 46 8.718 -9.623 -0.318 1.00 0.00 H new ATOM 0 HA ARG A 46 10.705 -8.044 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.857 -7.629 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.872 -6.331 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.068 -9.045 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.762 -7.899 -2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.282 -6.264 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.424 -7.189 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 46 13.175 -8.819 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.545 -5.993 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.199 -6.561 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.245 -9.554 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.590 -8.551 -2.028 1.00 0.00 H new ATOM 370 N TRP A 47 7.751 -7.625 2.082 1.00 0.00 N ATOM 371 CA TRP A 47 7.007 -6.931 3.121 1.00 0.00 C ATOM 372 C TRP A 47 7.940 -6.405 4.200 1.00 0.00 C ATOM 373 O TRP A 47 7.837 -5.244 4.566 1.00 0.00 O ATOM 374 CB TRP A 47 5.972 -7.858 3.758 1.00 0.00 C ATOM 375 CG TRP A 47 5.274 -7.218 4.907 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.604 -7.354 6.210 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.280 -6.163 4.855 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.809 -6.530 6.973 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.033 -5.713 6.181 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.636 -5.484 3.802 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.181 -4.639 6.452 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.771 -4.408 4.059 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.531 -4.002 5.381 1.00 0.00 C ATOM 0 H TRP A 47 7.364 -8.538 1.842 1.00 0.00 H new ATOM 0 HA TRP A 47 6.496 -6.090 2.652 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.238 -8.151 3.007 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.463 -8.770 4.096 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.373 -8.008 6.593 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.796 -6.525 7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.810 -5.795 2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.025 -4.304 7.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.291 -3.893 3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.842 -3.194 5.577 1.00 0.00 H new ATOM 394 N ASP A 48 8.846 -7.237 4.714 1.00 0.00 N ATOM 395 CA ASP A 48 9.742 -6.823 5.794 1.00 0.00 C ATOM 396 C ASP A 48 10.709 -5.742 5.347 1.00 0.00 C ATOM 397 O ASP A 48 11.078 -4.879 6.140 1.00 0.00 O ATOM 398 CB ASP A 48 10.546 -8.022 6.297 1.00 0.00 C ATOM 399 CG ASP A 48 9.764 -8.783 7.354 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.661 -8.289 8.500 1.00 0.00 O ATOM 401 OD2 ASP A 48 9.197 -9.851 7.026 1.00 0.00 O ATOM 0 H ASP A 48 8.979 -8.199 4.401 1.00 0.00 H new ATOM 0 HA ASP A 48 9.118 -6.421 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.782 -8.684 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.495 -7.682 6.713 1.00 0.00 H new ATOM 406 N ASP A 49 11.097 -5.798 4.077 1.00 0.00 N ATOM 407 CA ASP A 49 12.071 -4.924 3.428 1.00 0.00 C ATOM 408 C ASP A 49 11.492 -3.557 3.123 1.00 0.00 C ATOM 409 O ASP A 49 12.193 -2.547 3.088 1.00 0.00 O ATOM 410 CB ASP A 49 12.560 -5.591 2.135 1.00 0.00 C ATOM 411 CG ASP A 49 14.015 -5.272 1.815 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.910 -5.528 2.662 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.275 -4.869 0.666 1.00 0.00 O ATOM 0 H ASP A 49 10.719 -6.495 3.435 1.00 0.00 H new ATOM 0 HA ASP A 49 12.906 -4.774 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.441 -6.671 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.932 -5.267 1.305 1.00 0.00 H new ATOM 418 N VAL A 50 10.186 -3.535 2.928 1.00 0.00 N ATOM 419 CA VAL A 50 9.369 -2.357 2.851 1.00 0.00 C ATOM 420 C VAL A 50 9.168 -1.861 4.281 1.00 0.00 C ATOM 421 O VAL A 50 9.480 -0.710 4.561 1.00 0.00 O ATOM 422 CB VAL A 50 8.085 -2.774 2.114 1.00 0.00 C ATOM 423 CG1 VAL A 50 6.971 -1.738 2.274 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.374 -2.980 0.619 1.00 0.00 C ATOM 0 H VAL A 50 9.645 -4.392 2.814 1.00 0.00 H new ATOM 0 HA VAL A 50 9.801 -1.524 2.296 1.00 0.00 H new ATOM 0 HB VAL A 50 7.747 -3.709 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.083 -2.073 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.733 -1.620 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.302 -0.782 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.457 -3.275 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.746 -2.050 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.124 -3.761 0.498 1.00 0.00 H new ATOM 434 N ALA A 51 8.693 -2.704 5.199 1.00 0.00 N ATOM 435 CA ALA A 51 8.341 -2.315 6.555 1.00 0.00 C ATOM 436 C ALA A 51 9.532 -1.791 7.365 1.00 0.00 C ATOM 437 O ALA A 51 9.340 -1.086 8.360 1.00 0.00 O ATOM 438 CB ALA A 51 7.675 -3.484 7.280 1.00 0.00 C ATOM 0 H ALA A 51 8.541 -3.695 5.012 1.00 0.00 H new ATOM 0 HA ALA A 51 7.640 -1.485 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.415 -3.182 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.771 -3.776 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.363 -4.328 7.317 1.00 0.00 H new ATOM 444 N GLU A 52 10.764 -2.097 6.958 1.00 0.00 N ATOM 445 CA GLU A 52 11.953 -1.577 7.616 1.00 0.00 C ATOM 446 C GLU A 52 12.236 -0.131 7.195 1.00 0.00 C ATOM 447 O GLU A 52 12.943 0.600 7.897 1.00 0.00 O ATOM 448 CB GLU A 52 13.171 -2.495 7.466 1.00 0.00 C ATOM 449 CG GLU A 52 13.577 -2.669 6.016 1.00 0.00 C ATOM 450 CD GLU A 52 14.801 -3.568 5.884 1.00 0.00 C ATOM 451 OE1 GLU A 52 14.685 -4.812 5.941 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.921 -3.038 5.689 1.00 0.00 O ATOM 0 H GLU A 52 10.961 -2.710 6.167 1.00 0.00 H new ATOM 0 HA GLU A 52 11.743 -1.560 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.008 -2.082 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.946 -3.470 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.747 -3.097 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.791 -1.694 5.577 1.00 0.00 H new ATOM 459 N ARG A 53 11.669 0.293 6.062 1.00 0.00 N ATOM 460 CA ARG A 53 11.710 1.661 5.575 1.00 0.00 C ATOM 461 C ARG A 53 10.460 2.399 6.027 1.00 0.00 C ATOM 462 O ARG A 53 10.572 3.444 6.648 1.00 0.00 O ATOM 463 CB ARG A 53 11.783 1.705 4.031 1.00 0.00 C ATOM 464 CG ARG A 53 12.924 0.939 3.342 1.00 0.00 C ATOM 465 CD ARG A 53 14.266 1.679 3.288 1.00 0.00 C ATOM 466 NE ARG A 53 15.020 1.575 4.542 1.00 0.00 N ATOM 467 CZ ARG A 53 16.066 2.329 4.896 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.521 3.309 4.126 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.672 2.076 6.040 1.00 0.00 N ATOM 0 H ARG A 53 11.153 -0.333 5.443 1.00 0.00 H new ATOM 0 HA ARG A 53 12.603 2.136 5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.840 1.322 3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.852 2.750 3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.070 -0.008 3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.617 0.700 2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.867 1.275 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.088 2.730 3.062 1.00 0.00 H new ATOM 0 HE ARG A 53 14.718 0.861 5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.070 3.507 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.322 3.865 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.341 1.317 6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.472 2.639 6.329 1.00 0.00 H new ATOM 483 N VAL A 54 9.277 1.841 5.778 1.00 0.00 N ATOM 484 CA VAL A 54 7.994 2.526 5.919 1.00 0.00 C ATOM 485 C VAL A 54 6.975 1.776 6.774 1.00 0.00 C ATOM 486 O VAL A 54 7.201 0.635 7.155 1.00 0.00 O ATOM 487 CB VAL A 54 7.441 2.752 4.497 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.225 3.825 3.751 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.417 1.502 3.606 1.00 0.00 C ATOM 0 H VAL A 54 9.182 0.875 5.465 1.00 0.00 H new ATOM 0 HA VAL A 54 8.164 3.464 6.448 1.00 0.00 H new ATOM 0 HB VAL A 54 6.411 3.060 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.805 3.955 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.163 4.767 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.269 3.522 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.013 1.760 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.431 1.118 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.791 0.738 4.067 1.00 0.00 H new ATOM 499 N VAL A 55 5.842 2.421 7.050 1.00 0.00 N ATOM 500 CA VAL A 55 4.633 1.870 7.655 1.00 0.00 C ATOM 501 C VAL A 55 3.426 2.589 7.045 1.00 0.00 C ATOM 502 O VAL A 55 3.601 3.620 6.392 1.00 0.00 O ATOM 503 CB VAL A 55 4.657 2.023 9.189 1.00 0.00 C ATOM 504 CG1 VAL A 55 5.316 0.800 9.828 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.330 3.325 9.660 1.00 0.00 C ATOM 0 H VAL A 55 5.739 3.414 6.841 1.00 0.00 H new ATOM 0 HA VAL A 55 4.570 0.801 7.449 1.00 0.00 H new ATOM 0 HB VAL A 55 3.620 2.088 9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.328 0.918 10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.752 -0.095 9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.338 0.705 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.313 3.370 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.363 3.347 9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.791 4.181 9.253 1.00 0.00 H new ATOM 515 N ALA A 56 2.199 2.121 7.302 1.00 0.00 N ATOM 516 CA ALA A 56 0.983 2.777 6.821 1.00 0.00 C ATOM 517 C ALA A 56 0.859 4.217 7.323 1.00 0.00 C ATOM 518 O ALA A 56 0.139 5.007 6.718 1.00 0.00 O ATOM 519 CB ALA A 56 -0.264 2.007 7.271 1.00 0.00 C ATOM 0 H ALA A 56 2.024 1.278 7.849 1.00 0.00 H new ATOM 0 HA ALA A 56 1.055 2.788 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.157 2.513 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.230 0.994 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.294 1.967 8.360 1.00 0.00 H new ATOM 525 N ASP A 57 1.505 4.544 8.445 1.00 0.00 N ATOM 526 CA ASP A 57 1.519 5.890 9.009 1.00 0.00 C ATOM 527 C ASP A 57 2.478 6.817 8.254 1.00 0.00 C ATOM 528 O ASP A 57 2.309 8.035 8.305 1.00 0.00 O ATOM 529 CB ASP A 57 1.924 5.826 10.490 1.00 0.00 C ATOM 530 CG ASP A 57 0.907 6.541 11.370 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.850 7.791 11.369 1.00 0.00 O ATOM 532 OD2 ASP A 57 0.134 5.837 12.059 1.00 0.00 O ATOM 0 H ASP A 57 2.040 3.870 8.993 1.00 0.00 H new ATOM 0 HA ASP A 57 0.514 6.300 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.010 4.785 10.802 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.906 6.281 10.621 1.00 0.00 H new ATOM 537 N ASP A 58 3.470 6.265 7.554 1.00 0.00 N ATOM 538 CA ASP A 58 4.413 7.024 6.727 1.00 0.00 C ATOM 539 C ASP A 58 3.834 7.213 5.324 1.00 0.00 C ATOM 540 O ASP A 58 4.074 8.245 4.699 1.00 0.00 O ATOM 541 CB ASP A 58 5.779 6.313 6.648 1.00 0.00 C ATOM 542 CG ASP A 58 6.786 6.773 7.709 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.388 7.308 8.773 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.996 6.578 7.465 1.00 0.00 O ATOM 0 H ASP A 58 3.645 5.260 7.545 1.00 0.00 H new ATOM 0 HA ASP A 58 4.568 7.999 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.624 5.239 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.207 6.480 5.660 1.00 0.00 H new ATOM 549 N PHE A 59 3.045 6.246 4.836 1.00 0.00 N ATOM 550 CA PHE A 59 2.256 6.412 3.618 1.00 0.00 C ATOM 551 C PHE A 59 1.274 7.564 3.840 1.00 0.00 C ATOM 552 O PHE A 59 0.681 7.695 4.912 1.00 0.00 O ATOM 553 CB PHE A 59 1.480 5.129 3.275 1.00 0.00 C ATOM 554 CG PHE A 59 2.237 4.114 2.442 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.304 3.388 2.992 1.00 0.00 C ATOM 556 CD2 PHE A 59 1.861 3.877 1.109 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.007 2.463 2.205 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.548 2.931 0.326 1.00 0.00 C ATOM 559 CZ PHE A 59 3.637 2.233 0.870 1.00 0.00 C ATOM 0 H PHE A 59 2.939 5.332 5.276 1.00 0.00 H new ATOM 0 HA PHE A 59 2.925 6.627 2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.171 4.652 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.571 5.406 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.585 3.541 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.036 4.427 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.840 1.923 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.238 2.743 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.186 1.525 0.267 1.00 0.00 H new ATOM 569 N TYR A 60 1.045 8.372 2.811 1.00 0.00 N ATOM 570 CA TYR A 60 0.188 9.547 2.872 1.00 0.00 C ATOM 571 C TYR A 60 -1.163 9.270 2.211 1.00 0.00 C ATOM 572 O TYR A 60 -2.204 9.659 2.747 1.00 0.00 O ATOM 573 CB TYR A 60 0.933 10.697 2.182 1.00 0.00 C ATOM 574 CG TYR A 60 0.185 11.995 1.915 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.802 12.485 2.794 1.00 0.00 C ATOM 576 CD2 TYR A 60 0.533 12.745 0.775 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.436 13.714 2.532 1.00 0.00 C ATOM 578 CE2 TYR A 60 -0.080 13.984 0.516 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.068 14.474 1.398 1.00 0.00 C ATOM 580 OH TYR A 60 -1.654 15.683 1.174 1.00 0.00 O ATOM 0 H TYR A 60 1.460 8.224 1.891 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.026 9.814 3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.806 10.937 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.302 10.325 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.073 11.916 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.279 12.365 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.205 14.077 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.204 14.558 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.289 16.076 0.354 1.00 0.00 H new ATOM 590 N THR A 61 -1.177 8.583 1.072 1.00 0.00 N ATOM 591 CA THR A 61 -2.368 8.470 0.240 1.00 0.00 C ATOM 592 C THR A 61 -3.400 7.528 0.860 1.00 0.00 C ATOM 593 O THR A 61 -3.113 6.357 1.096 1.00 0.00 O ATOM 594 CB THR A 61 -1.991 8.048 -1.165 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.687 8.444 -1.508 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.931 8.609 -2.231 1.00 0.00 C ATOM 0 H THR A 61 -0.364 8.090 0.702 1.00 0.00 H new ATOM 0 HA THR A 61 -2.838 9.452 0.181 1.00 0.00 H new ATOM 0 HB THR A 61 -2.066 6.961 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.066 7.705 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.608 8.271 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.946 8.259 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.911 9.698 -2.197 1.00 0.00 H new ATOM 604 N ARG A 62 -4.622 8.010 1.105 1.00 0.00 N ATOM 605 CA ARG A 62 -5.666 7.265 1.814 1.00 0.00 C ATOM 606 C ARG A 62 -5.844 5.798 1.402 1.00 0.00 C ATOM 607 O ARG A 62 -5.769 4.947 2.293 1.00 0.00 O ATOM 608 CB ARG A 62 -7.007 8.007 1.740 1.00 0.00 C ATOM 609 CG ARG A 62 -7.107 9.079 2.827 1.00 0.00 C ATOM 610 CD ARG A 62 -8.565 9.483 3.019 1.00 0.00 C ATOM 611 NE ARG A 62 -8.782 10.086 4.340 1.00 0.00 N ATOM 612 CZ ARG A 62 -9.233 9.437 5.420 1.00 0.00 C ATOM 613 NH1 ARG A 62 -9.231 8.108 5.480 1.00 0.00 N ATOM 614 NH2 ARG A 62 -9.683 10.141 6.444 1.00 0.00 N ATOM 0 H ARG A 62 -4.918 8.941 0.812 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.309 7.219 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.116 8.469 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.826 7.296 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.698 8.700 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.512 9.949 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.854 10.191 2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.205 8.608 2.907 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.572 11.079 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.881 7.562 4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.580 7.635 6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.682 11.160 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.031 9.665 7.276 1.00 0.00 H new ATOM 628 N PRO A 63 -6.089 5.447 0.126 1.00 0.00 N ATOM 629 CA PRO A 63 -6.262 4.051 -0.251 1.00 0.00 C ATOM 630 C PRO A 63 -4.948 3.286 -0.110 1.00 0.00 C ATOM 631 O PRO A 63 -4.973 2.122 0.269 1.00 0.00 O ATOM 632 CB PRO A 63 -6.773 4.064 -1.694 1.00 0.00 C ATOM 633 CG PRO A 63 -6.252 5.387 -2.247 1.00 0.00 C ATOM 634 CD PRO A 63 -6.296 6.307 -1.029 1.00 0.00 C ATOM 0 HA PRO A 63 -6.971 3.539 0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.393 3.215 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.861 4.013 -1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.241 5.289 -2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.877 5.760 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.523 7.073 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.253 6.825 -0.964 1.00 0.00 H new ATOM 642 N HIS A 64 -3.800 3.921 -0.358 1.00 0.00 N ATOM 643 CA HIS A 64 -2.512 3.275 -0.167 1.00 0.00 C ATOM 644 C HIS A 64 -2.311 2.932 1.321 1.00 0.00 C ATOM 645 O HIS A 64 -1.881 1.825 1.633 1.00 0.00 O ATOM 646 CB HIS A 64 -1.378 4.153 -0.712 1.00 0.00 C ATOM 647 CG HIS A 64 -1.450 4.618 -2.155 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.551 5.499 -2.702 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.329 4.273 -3.150 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.860 5.690 -3.990 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.958 4.978 -4.305 1.00 0.00 N ATOM 0 H HIS A 64 -3.743 4.883 -0.692 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.493 2.342 -0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.313 5.040 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.445 3.604 -0.587 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.226 5.937 -2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.156 3.584 -3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.311 6.320 -4.674 1.00 0.00 H new ATOM 659 N ARG A 65 -2.684 3.824 2.252 1.00 0.00 N ATOM 660 CA ARG A 65 -2.607 3.559 3.690 1.00 0.00 C ATOM 661 C ARG A 65 -3.494 2.381 4.057 1.00 0.00 C ATOM 662 O ARG A 65 -3.034 1.483 4.756 1.00 0.00 O ATOM 663 CB ARG A 65 -3.025 4.765 4.542 1.00 0.00 C ATOM 664 CG ARG A 65 -2.119 5.997 4.410 1.00 0.00 C ATOM 665 CD ARG A 65 -2.291 6.972 5.582 1.00 0.00 C ATOM 666 NE ARG A 65 -3.699 7.312 5.858 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.426 6.863 6.890 1.00 0.00 C ATOM 668 NH1 ARG A 65 -3.958 5.927 7.708 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.635 7.352 7.115 1.00 0.00 N ATOM 0 H ARG A 65 -3.047 4.749 2.024 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.561 3.338 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.041 5.049 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.049 4.461 5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.079 5.676 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.343 6.512 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.848 6.535 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.739 7.887 5.368 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.161 7.945 5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.028 5.536 7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.528 5.600 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.016 8.073 6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.186 7.008 7.901 1.00 0.00 H new ATOM 683 N HIS A 66 -4.752 2.382 3.613 1.00 0.00 N ATOM 684 CA HIS A 66 -5.676 1.273 3.810 1.00 0.00 C ATOM 685 C HIS A 66 -5.063 -0.049 3.354 1.00 0.00 C ATOM 686 O HIS A 66 -5.099 -1.021 4.107 1.00 0.00 O ATOM 687 CB HIS A 66 -6.945 1.511 2.991 1.00 0.00 C ATOM 688 CG HIS A 66 -7.941 2.488 3.531 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.527 3.539 2.864 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.603 2.322 4.706 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.481 4.038 3.665 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.563 3.337 4.811 1.00 0.00 N ATOM 0 H HIS A 66 -5.159 3.164 3.101 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.902 1.217 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.647 1.848 1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.448 0.553 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.421 1.544 5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.100 4.889 3.422 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.194 3.509 5.594 1.00 0.00 H new ATOM 700 N ILE A 67 -4.530 -0.091 2.130 1.00 0.00 N ATOM 701 CA ILE A 67 -3.916 -1.281 1.558 1.00 0.00 C ATOM 702 C ILE A 67 -2.757 -1.708 2.456 1.00 0.00 C ATOM 703 O ILE A 67 -2.733 -2.862 2.865 1.00 0.00 O ATOM 704 CB ILE A 67 -3.490 -1.018 0.098 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.726 -0.824 -0.809 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.628 -2.164 -0.463 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.379 -0.071 -2.100 1.00 0.00 C ATOM 0 H ILE A 67 -4.515 0.714 1.504 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.629 -2.104 1.517 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.893 -0.106 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.148 -1.797 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.493 -0.274 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.350 -1.939 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.727 -2.271 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.196 -3.094 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.277 0.043 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.982 0.913 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.632 -0.633 -2.660 1.00 0.00 H new ATOM 719 N PHE A 68 -1.833 -0.806 2.801 1.00 0.00 N ATOM 720 CA PHE A 68 -0.700 -1.132 3.662 1.00 0.00 C ATOM 721 C PHE A 68 -1.186 -1.683 5.005 1.00 0.00 C ATOM 722 O PHE A 68 -0.653 -2.676 5.489 1.00 0.00 O ATOM 723 CB PHE A 68 0.194 0.101 3.857 1.00 0.00 C ATOM 724 CG PHE A 68 1.590 -0.224 4.363 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.819 -0.599 5.702 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.676 -0.174 3.473 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.118 -0.906 6.145 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.974 -0.475 3.917 1.00 0.00 C ATOM 729 CZ PHE A 68 4.200 -0.841 5.253 1.00 0.00 C ATOM 0 H PHE A 68 -1.852 0.166 2.491 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.105 -1.907 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.276 0.631 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.288 0.779 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.991 -0.651 6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.512 0.098 2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.283 -1.192 7.173 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.803 -0.425 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.199 -1.071 5.592 1.00 0.00 H new ATOM 739 N THR A 69 -2.212 -1.071 5.599 1.00 0.00 N ATOM 740 CA THR A 69 -2.788 -1.507 6.863 1.00 0.00 C ATOM 741 C THR A 69 -3.368 -2.919 6.714 1.00 0.00 C ATOM 742 O THR A 69 -3.234 -3.730 7.631 1.00 0.00 O ATOM 743 CB THR A 69 -3.842 -0.478 7.319 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.283 0.827 7.339 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.389 -0.753 8.718 1.00 0.00 C ATOM 0 H THR A 69 -2.669 -0.248 5.207 1.00 0.00 H new ATOM 0 HA THR A 69 -2.020 -1.560 7.635 1.00 0.00 H new ATOM 0 HB THR A 69 -4.657 -0.559 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.261 1.187 6.428 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.125 0.008 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.860 -1.736 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.572 -0.728 9.439 1.00 0.00 H new ATOM 753 N GLU A 70 -3.971 -3.246 5.568 1.00 0.00 N ATOM 754 CA GLU A 70 -4.519 -4.570 5.339 1.00 0.00 C ATOM 755 C GLU A 70 -3.410 -5.590 5.091 1.00 0.00 C ATOM 756 O GLU A 70 -3.485 -6.696 5.608 1.00 0.00 O ATOM 757 CB GLU A 70 -5.489 -4.574 4.158 1.00 0.00 C ATOM 758 CG GLU A 70 -6.416 -5.798 4.279 1.00 0.00 C ATOM 759 CD GLU A 70 -7.426 -5.651 5.428 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.765 -4.505 5.807 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.860 -6.696 5.966 1.00 0.00 O ATOM 0 H GLU A 70 -4.089 -2.603 4.785 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.063 -4.851 6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.076 -3.656 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.938 -4.609 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.953 -5.939 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.814 -6.693 4.439 1.00 0.00 H new ATOM 768 N MET A 71 -2.381 -5.237 4.320 1.00 0.00 N ATOM 769 CA MET A 71 -1.235 -6.103 4.074 1.00 0.00 C ATOM 770 C MET A 71 -0.549 -6.422 5.401 1.00 0.00 C ATOM 771 O MET A 71 -0.270 -7.585 5.687 1.00 0.00 O ATOM 772 CB MET A 71 -0.258 -5.441 3.094 1.00 0.00 C ATOM 773 CG MET A 71 -0.811 -5.349 1.670 1.00 0.00 C ATOM 774 SD MET A 71 0.433 -4.845 0.454 1.00 0.00 S ATOM 775 CE MET A 71 -0.417 -5.320 -1.071 1.00 0.00 C ATOM 0 H MET A 71 -2.322 -4.335 3.847 1.00 0.00 H new ATOM 0 HA MET A 71 -1.576 -7.033 3.620 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.018 -4.439 3.450 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.674 -6.007 3.080 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.220 -6.318 1.382 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.636 -4.637 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.317 -5.487 -1.860 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.983 -6.236 -0.902 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.097 -4.523 -1.372 1.00 0.00 H new ATOM 785 N ALA A 72 -0.346 -5.406 6.242 1.00 0.00 N ATOM 786 CA ALA A 72 0.161 -5.565 7.591 1.00 0.00 C ATOM 787 C ALA A 72 -0.735 -6.513 8.384 1.00 0.00 C ATOM 788 O ALA A 72 -0.238 -7.484 8.944 1.00 0.00 O ATOM 789 CB ALA A 72 0.255 -4.194 8.264 1.00 0.00 C ATOM 0 H ALA A 72 -0.535 -4.435 5.992 1.00 0.00 H new ATOM 0 HA ALA A 72 1.158 -6.003 7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.636 -4.312 9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.930 -3.555 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.734 -3.737 8.299 1.00 0.00 H new ATOM 795 N ARG A 73 -2.049 -6.265 8.399 1.00 0.00 N ATOM 796 CA ARG A 73 -3.034 -7.103 9.081 1.00 0.00 C ATOM 797 C ARG A 73 -2.956 -8.552 8.608 1.00 0.00 C ATOM 798 O ARG A 73 -2.996 -9.450 9.442 1.00 0.00 O ATOM 799 CB ARG A 73 -4.439 -6.491 8.900 1.00 0.00 C ATOM 800 CG ARG A 73 -5.579 -7.496 9.107 1.00 0.00 C ATOM 801 CD ARG A 73 -6.966 -6.848 9.058 1.00 0.00 C ATOM 802 NE ARG A 73 -7.290 -6.083 10.269 1.00 0.00 N ATOM 803 CZ ARG A 73 -7.586 -6.600 11.466 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.550 -7.908 11.694 1.00 0.00 N ATOM 805 NH2 ARG A 73 -7.928 -5.796 12.459 1.00 0.00 N ATOM 0 H ARG A 73 -2.463 -5.460 7.928 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.812 -7.127 10.148 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.560 -5.667 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.516 -6.069 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.518 -8.269 8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.449 -7.991 10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.021 -6.187 8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.718 -7.624 8.914 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.289 -5.066 10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.291 -8.549 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.781 -8.271 12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.965 -4.788 12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.155 -6.184 13.374 1.00 0.00 H new ATOM 819 N LEU A 74 -2.884 -8.796 7.302 1.00 0.00 N ATOM 820 CA LEU A 74 -2.816 -10.118 6.709 1.00 0.00 C ATOM 821 C LEU A 74 -1.537 -10.821 7.124 1.00 0.00 C ATOM 822 O LEU A 74 -1.588 -11.975 7.545 1.00 0.00 O ATOM 823 CB LEU A 74 -2.880 -9.980 5.185 1.00 0.00 C ATOM 824 CG LEU A 74 -4.324 -9.936 4.675 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.370 -9.396 3.245 1.00 0.00 C ATOM 826 CD2 LEU A 74 -4.952 -11.336 4.717 1.00 0.00 C ATOM 0 H LEU A 74 -2.871 -8.049 6.608 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.657 -10.718 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.360 -9.072 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.357 -10.817 4.722 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.893 -9.271 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.403 -9.372 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.956 -8.388 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.784 -10.043 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.978 -11.286 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.375 -12.013 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.950 -11.705 5.743 1.00 0.00 H new ATOM 838 N GLN A 75 -0.402 -10.133 7.048 1.00 0.00 N ATOM 839 CA GLN A 75 0.877 -10.685 7.450 1.00 0.00 C ATOM 840 C GLN A 75 0.865 -11.003 8.943 1.00 0.00 C ATOM 841 O GLN A 75 1.332 -12.061 9.356 1.00 0.00 O ATOM 842 CB GLN A 75 1.973 -9.676 7.091 1.00 0.00 C ATOM 843 CG GLN A 75 3.379 -10.291 7.055 1.00 0.00 C ATOM 844 CD GLN A 75 3.517 -11.508 6.141 1.00 0.00 C ATOM 845 OE1 GLN A 75 4.042 -12.539 6.556 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.021 -11.439 4.918 1.00 0.00 N ATOM 0 H GLN A 75 -0.349 -9.174 6.704 1.00 0.00 H new ATOM 0 HA GLN A 75 1.074 -11.620 6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.750 -9.240 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.959 -8.862 7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.087 -9.528 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.661 -10.579 8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.589 -10.575 4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.070 -12.250 4.301 1.00 0.00 H new ATOM 855 N GLU A 76 0.288 -10.117 9.749 1.00 0.00 N ATOM 856 CA GLU A 76 0.025 -10.302 11.175 1.00 0.00 C ATOM 857 C GLU A 76 -0.908 -11.503 11.422 1.00 0.00 C ATOM 858 O GLU A 76 -0.773 -12.198 12.431 1.00 0.00 O ATOM 859 CB GLU A 76 -0.533 -8.979 11.730 1.00 0.00 C ATOM 860 CG GLU A 76 -0.964 -9.027 13.198 1.00 0.00 C ATOM 861 CD GLU A 76 -1.546 -7.682 13.644 1.00 0.00 C ATOM 862 OE1 GLU A 76 -2.606 -7.265 13.117 1.00 0.00 O ATOM 863 OE2 GLU A 76 -0.984 -7.039 14.559 1.00 0.00 O ATOM 0 H GLU A 76 -0.024 -9.207 9.411 1.00 0.00 H new ATOM 0 HA GLU A 76 0.946 -10.543 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.225 -8.205 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.389 -8.680 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.707 -9.813 13.337 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.109 -9.283 13.824 1.00 0.00 H new ATOM 870 N SER A 77 -1.818 -11.787 10.491 1.00 0.00 N ATOM 871 CA SER A 77 -2.662 -12.973 10.429 1.00 0.00 C ATOM 872 C SER A 77 -1.974 -14.172 9.756 1.00 0.00 C ATOM 873 O SER A 77 -2.632 -15.182 9.493 1.00 0.00 O ATOM 874 CB SER A 77 -3.976 -12.631 9.747 1.00 0.00 C ATOM 875 OG SER A 77 -4.747 -11.707 10.491 1.00 0.00 O ATOM 0 H SER A 77 -1.994 -11.153 9.712 1.00 0.00 H new ATOM 0 HA SER A 77 -2.859 -13.288 11.454 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.772 -12.217 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.553 -13.544 9.598 1.00 0.00 H new ATOM 0 HG SER A 77 -4.418 -10.799 10.326 1.00 0.00 H new ATOM 881 N GLY A 78 -0.677 -14.110 9.442 1.00 0.00 N ATOM 882 CA GLY A 78 0.068 -15.242 8.905 1.00 0.00 C ATOM 883 C GLY A 78 -0.461 -15.629 7.531 1.00 0.00 C ATOM 884 O GLY A 78 -0.574 -16.820 7.230 1.00 0.00 O ATOM 0 H GLY A 78 -0.115 -13.266 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.126 -14.988 8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.011 -16.091 9.584 1.00 0.00 H new ATOM 888 N SER A 79 -0.898 -14.638 6.757 1.00 0.00 N ATOM 889 CA SER A 79 -1.591 -14.814 5.489 1.00 0.00 C ATOM 890 C SER A 79 -0.928 -13.972 4.386 1.00 0.00 C ATOM 891 O SER A 79 -0.309 -12.952 4.702 1.00 0.00 O ATOM 892 CB SER A 79 -3.060 -14.420 5.692 1.00 0.00 C ATOM 893 OG SER A 79 -3.660 -15.179 6.739 1.00 0.00 O ATOM 0 H SER A 79 -0.773 -13.657 7.007 1.00 0.00 H new ATOM 0 HA SER A 79 -1.535 -15.854 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.125 -13.358 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.612 -14.575 4.765 1.00 0.00 H new ATOM 0 HG SER A 79 -3.212 -14.978 7.587 1.00 0.00 H new ATOM 899 N PRO A 80 -1.065 -14.376 3.105 1.00 0.00 N ATOM 900 CA PRO A 80 -0.473 -13.662 1.985 1.00 0.00 C ATOM 901 C PRO A 80 -1.043 -12.259 1.828 1.00 0.00 C ATOM 902 O PRO A 80 -2.133 -11.947 2.305 1.00 0.00 O ATOM 903 CB PRO A 80 -0.746 -14.496 0.727 1.00 0.00 C ATOM 904 CG PRO A 80 -1.826 -15.492 1.132 1.00 0.00 C ATOM 905 CD PRO A 80 -1.694 -15.605 2.648 1.00 0.00 C ATOM 0 HA PRO A 80 0.596 -13.536 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.081 -13.866 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.156 -15.008 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.817 -15.141 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.677 -16.457 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.671 -15.736 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.093 -16.472 2.921 1.00 0.00 H new ATOM 913 N ILE A 81 -0.324 -11.449 1.056 1.00 0.00 N ATOM 914 CA ILE A 81 -0.674 -10.070 0.733 1.00 0.00 C ATOM 915 C ILE A 81 -0.849 -9.907 -0.786 1.00 0.00 C ATOM 916 O ILE A 81 -0.696 -8.817 -1.334 1.00 0.00 O ATOM 917 CB ILE A 81 0.307 -9.092 1.423 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.762 -9.236 0.943 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.222 -9.284 2.949 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.712 -8.198 1.544 1.00 0.00 C ATOM 0 H ILE A 81 0.550 -11.746 0.623 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.648 -9.804 1.144 1.00 0.00 H new ATOM 0 HB ILE A 81 0.003 -8.083 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.122 -10.234 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.787 -9.153 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.911 -8.598 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.795 -9.081 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.489 -10.310 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.719 -8.361 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.377 -7.197 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.717 -8.295 2.630 1.00 0.00 H new ATOM 932 N ASP A 82 -1.191 -11.006 -1.469 1.00 0.00 N ATOM 933 CA ASP A 82 -1.621 -10.993 -2.870 1.00 0.00 C ATOM 934 C ASP A 82 -2.933 -10.203 -3.015 1.00 0.00 C ATOM 935 O ASP A 82 -3.674 -10.044 -2.045 1.00 0.00 O ATOM 936 CB ASP A 82 -1.780 -12.441 -3.379 1.00 0.00 C ATOM 937 CG ASP A 82 -3.182 -12.741 -3.921 1.00 0.00 C ATOM 938 OD1 ASP A 82 -3.427 -12.461 -5.115 1.00 0.00 O ATOM 939 OD2 ASP A 82 -4.038 -13.172 -3.117 1.00 0.00 O ATOM 0 H ASP A 82 -1.176 -11.940 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.864 -10.497 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.047 -12.626 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.557 -13.132 -2.566 1.00 0.00 H new ATOM 944 N LEU A 83 -3.233 -9.743 -4.236 1.00 0.00 N ATOM 945 CA LEU A 83 -4.431 -8.979 -4.570 1.00 0.00 C ATOM 946 C LEU A 83 -5.716 -9.652 -4.092 1.00 0.00 C ATOM 947 O LEU A 83 -6.540 -8.977 -3.477 1.00 0.00 O ATOM 948 CB LEU A 83 -4.503 -8.701 -6.078 1.00 0.00 C ATOM 949 CG LEU A 83 -5.801 -8.004 -6.518 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.089 -6.726 -5.756 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.688 -7.577 -7.974 1.00 0.00 C ATOM 0 H LEU A 83 -2.626 -9.900 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.349 -8.032 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.653 -8.081 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.407 -9.643 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.592 -8.732 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.019 -6.288 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.183 -6.949 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.272 -6.020 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.610 -7.084 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.852 -6.887 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.521 -8.454 -8.599 1.00 0.00 H new ATOM 963 N ILE A 84 -5.958 -10.926 -4.401 1.00 0.00 N ATOM 964 CA ILE A 84 -7.240 -11.526 -4.089 1.00 0.00 C ATOM 965 C ILE A 84 -7.405 -11.582 -2.571 1.00 0.00 C ATOM 966 O ILE A 84 -8.440 -11.172 -2.041 1.00 0.00 O ATOM 967 CB ILE A 84 -7.317 -12.914 -4.746 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.714 -12.957 -6.169 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.774 -13.409 -4.728 1.00 0.00 C ATOM 970 CD1 ILE A 84 -7.415 -12.112 -7.237 1.00 0.00 C ATOM 0 H ILE A 84 -5.291 -11.547 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.062 -10.931 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.697 -13.591 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.674 -12.635 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.708 -13.994 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.830 -14.393 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.123 -13.475 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.403 -12.710 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.898 -12.227 -8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.448 -12.443 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.399 -11.063 -6.940 1.00 0.00 H new ATOM 982 N THR A 85 -6.360 -12.037 -1.877 1.00 0.00 N ATOM 983 CA THR A 85 -6.325 -12.126 -0.433 1.00 0.00 C ATOM 984 C THR A 85 -6.598 -10.751 0.183 1.00 0.00 C ATOM 985 O THR A 85 -7.465 -10.616 1.048 1.00 0.00 O ATOM 986 CB THR A 85 -4.992 -12.741 0.038 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.647 -13.884 -0.728 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.123 -13.200 1.492 1.00 0.00 C ATOM 0 H THR A 85 -5.500 -12.359 -2.322 1.00 0.00 H new ATOM 0 HA THR A 85 -7.114 -12.794 -0.087 1.00 0.00 H new ATOM 0 HB THR A 85 -4.225 -11.975 -0.075 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.070 -13.616 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.180 -13.634 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.370 -12.346 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.913 -13.947 1.568 1.00 0.00 H new ATOM 996 N LEU A 86 -5.890 -9.734 -0.302 1.00 0.00 N ATOM 997 CA LEU A 86 -5.983 -8.335 0.088 1.00 0.00 C ATOM 998 C LEU A 86 -7.399 -7.821 -0.038 1.00 0.00 C ATOM 999 O LEU A 86 -7.966 -7.338 0.942 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.036 -7.519 -0.809 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.124 -5.992 -0.669 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.555 -5.547 0.677 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.370 -5.328 -1.825 1.00 0.00 C ATOM 0 H LEU A 86 -5.188 -9.879 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.695 -8.233 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.012 -7.825 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.237 -7.781 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.170 -5.687 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.625 -4.462 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.123 -6.010 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.510 -5.850 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.433 -4.244 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.324 -5.635 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.816 -5.632 -2.772 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.932 -7.877 -1.256 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.228 -7.311 -1.571 1.00 0.00 C ATOM 1017 C ALA A 87 -10.292 -7.894 -0.646 1.00 0.00 C ATOM 1018 O ALA A 87 -11.052 -7.148 -0.035 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.563 -7.579 -3.034 1.00 0.00 C ATOM 0 H ALA A 87 -7.470 -8.319 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.202 -6.232 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.538 -7.152 -3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.805 -7.122 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.586 -8.654 -3.211 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.329 -9.218 -0.521 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.262 -9.920 0.350 1.00 0.00 C ATOM 1027 C GLU A 88 -11.023 -9.644 1.835 1.00 0.00 C ATOM 1028 O GLU A 88 -11.965 -9.694 2.626 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.179 -11.413 0.048 1.00 0.00 C ATOM 1030 CG GLU A 88 -12.017 -11.776 -1.187 1.00 0.00 C ATOM 1031 CD GLU A 88 -13.397 -12.326 -0.810 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -14.037 -11.841 0.148 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.829 -13.316 -1.447 1.00 0.00 O ATOM 0 H GLU A 88 -9.702 -9.841 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.265 -9.547 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.140 -11.696 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.530 -11.981 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.139 -10.892 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.483 -12.517 -1.781 1.00 0.00 H new ATOM 1040 N SER A 89 -9.791 -9.344 2.247 1.00 0.00 N ATOM 1041 CA SER A 89 -9.519 -8.969 3.623 1.00 0.00 C ATOM 1042 C SER A 89 -10.156 -7.595 3.891 1.00 0.00 C ATOM 1043 O SER A 89 -10.885 -7.425 4.873 1.00 0.00 O ATOM 1044 CB SER A 89 -8.008 -9.063 3.869 1.00 0.00 C ATOM 1045 OG SER A 89 -7.681 -9.157 5.240 1.00 0.00 O ATOM 0 H SER A 89 -8.969 -9.355 1.643 1.00 0.00 H new ATOM 0 HA SER A 89 -9.972 -9.646 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.613 -9.934 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.520 -8.186 3.443 1.00 0.00 H new ATOM 0 HG SER A 89 -7.850 -8.296 5.676 1.00 0.00 H new ATOM 1051 N LEU A 90 -9.968 -6.641 2.972 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.602 -5.326 3.004 1.00 0.00 C ATOM 1053 C LEU A 90 -12.121 -5.422 2.893 1.00 0.00 C ATOM 1054 O LEU A 90 -12.805 -4.648 3.556 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.023 -4.425 1.899 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.724 -3.758 2.388 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.652 -3.686 1.302 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.965 -2.377 2.997 1.00 0.00 C ATOM 0 H LEU A 90 -9.355 -6.769 2.167 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.382 -4.876 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.824 -5.015 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.751 -3.662 1.622 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.348 -4.407 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.759 -3.207 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.404 -4.694 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.027 -3.106 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.016 -1.953 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.415 -1.723 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.636 -2.468 3.851 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.683 -6.354 2.124 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.129 -6.586 2.110 1.00 0.00 C ATOM 1072 C GLU A 91 -14.623 -7.035 3.468 1.00 0.00 C ATOM 1073 O GLU A 91 -15.651 -6.543 3.945 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.543 -7.673 1.112 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.585 -7.195 -0.333 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.385 -8.149 -1.219 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.583 -8.368 -0.917 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -14.868 -8.631 -2.247 1.00 0.00 O ATOM 0 H GLU A 91 -12.156 -6.964 1.499 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.569 -5.631 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.847 -8.508 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.527 -8.052 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.029 -6.200 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.569 -7.107 -0.717 1.00 0.00 H new ATOM 1085 N ARG A 92 -13.907 -7.948 4.114 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.263 -8.369 5.454 1.00 0.00 C ATOM 1087 C ARG A 92 -14.119 -7.210 6.439 1.00 0.00 C ATOM 1088 O ARG A 92 -14.818 -7.213 7.450 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.542 -9.678 5.798 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.146 -10.785 4.904 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.483 -12.146 5.070 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.099 -12.143 4.568 1.00 0.00 N ATOM 1093 CZ ARG A 92 -11.028 -12.629 5.204 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -11.122 -13.135 6.426 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -9.835 -12.602 4.630 1.00 0.00 N ATOM 0 H ARG A 92 -13.081 -8.406 3.729 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.320 -8.624 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.470 -9.584 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.672 -9.922 6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.208 -10.880 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.067 -10.479 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.487 -12.427 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.062 -12.900 4.537 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.942 -11.731 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.025 -13.159 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.291 -13.500 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.728 -12.208 3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.023 -12.975 5.123 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.270 -6.209 6.179 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.267 -4.962 6.949 1.00 0.00 C ATOM 1111 C GLN A 93 -14.372 -3.996 6.479 1.00 0.00 C ATOM 1112 O GLN A 93 -14.647 -3.024 7.182 1.00 0.00 O ATOM 1113 CB GLN A 93 -11.896 -4.263 6.892 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.789 -5.069 7.591 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.010 -4.226 8.599 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -10.477 -3.978 9.707 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -8.831 -3.752 8.246 1.00 0.00 N ATOM 0 H GLN A 93 -12.572 -6.240 5.436 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.471 -5.236 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.619 -4.100 5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.974 -3.281 7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.232 -5.925 8.101 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.102 -5.464 6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.452 -3.964 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.298 -3.174 8.896 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.012 -4.207 5.322 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.028 -3.304 4.792 1.00 0.00 C ATOM 1128 C GLY A 94 -15.412 -2.083 4.112 1.00 0.00 C ATOM 1129 O GLY A 94 -16.054 -1.036 4.029 1.00 0.00 O ATOM 0 H GLY A 94 -14.834 -5.016 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.652 -3.840 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.680 -2.977 5.602 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.158 -2.186 3.670 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.318 -1.094 3.199 1.00 0.00 C ATOM 1135 C GLN A 95 -12.817 -1.318 1.766 1.00 0.00 C ATOM 1136 O GLN A 95 -11.963 -0.562 1.309 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.150 -0.897 4.185 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.572 -0.522 5.613 1.00 0.00 C ATOM 1139 CD GLN A 95 -13.484 0.701 5.663 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -13.150 1.773 5.162 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -14.653 0.596 6.267 1.00 0.00 N ATOM 0 H GLN A 95 -13.678 -3.085 3.631 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.918 -0.185 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.566 -1.816 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.493 -0.118 3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.084 -1.369 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.681 -0.329 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.934 -0.292 6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.276 1.402 6.317 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.329 -2.317 1.034 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.951 -2.532 -0.364 1.00 0.00 C ATOM 1152 C LEU A 96 -13.274 -1.293 -1.204 1.00 0.00 C ATOM 1153 O LEU A 96 -12.469 -0.858 -2.027 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.618 -3.782 -0.937 1.00 0.00 C ATOM 1155 CG LEU A 96 -13.187 -4.029 -2.399 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.677 -4.272 -2.546 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.928 -5.232 -2.961 1.00 0.00 C ATOM 0 H LEU A 96 -14.008 -2.989 1.391 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.874 -2.696 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.357 -4.647 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.701 -3.673 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.435 -3.123 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.436 -4.439 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.131 -3.401 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.391 -5.148 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.619 -5.400 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.696 -6.114 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.001 -5.045 -2.930 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.445 -0.697 -0.995 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.819 0.544 -1.665 1.00 0.00 C ATOM 1171 C ASP A 97 -13.897 1.690 -1.238 1.00 0.00 C ATOM 1172 O ASP A 97 -13.428 2.451 -2.084 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.284 0.864 -1.386 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.705 2.171 -2.042 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.356 2.418 -3.216 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.458 2.945 -1.407 1.00 0.00 O ATOM 0 H ASP A 97 -15.157 -1.058 -0.360 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.700 0.418 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.911 0.052 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.445 0.928 -0.310 1.00 0.00 H new ATOM 1181 N SER A 98 -13.520 1.758 0.043 1.00 0.00 N ATOM 1182 CA SER A 98 -12.541 2.711 0.571 1.00 0.00 C ATOM 1183 C SER A 98 -11.132 2.564 -0.034 1.00 0.00 C ATOM 1184 O SER A 98 -10.285 3.438 0.190 1.00 0.00 O ATOM 1185 CB SER A 98 -12.477 2.608 2.102 1.00 0.00 C ATOM 1186 OG SER A 98 -13.766 2.613 2.701 1.00 0.00 O ATOM 0 H SER A 98 -13.897 1.136 0.758 1.00 0.00 H new ATOM 0 HA SER A 98 -12.891 3.700 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.954 1.693 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.894 3.441 2.495 1.00 0.00 H new ATOM 0 HG SER A 98 -13.720 2.184 3.581 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.874 1.527 -0.838 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.630 1.343 -1.580 1.00 0.00 C ATOM 1194 C VAL A 99 -9.862 1.256 -3.092 1.00 0.00 C ATOM 1195 O VAL A 99 -8.966 0.843 -3.824 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.823 0.165 -1.009 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.564 0.373 0.487 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.492 -1.191 -1.235 1.00 0.00 C ATOM 0 H VAL A 99 -11.545 0.774 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.018 2.234 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.879 0.147 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.992 -0.469 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.001 1.294 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.515 0.441 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.871 -1.979 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.470 -1.199 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.613 -1.363 -2.304 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.039 1.657 -3.578 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.295 1.796 -5.003 1.00 0.00 C ATOM 1210 C GLY A 100 -11.986 0.582 -5.618 1.00 0.00 C ATOM 1211 O GLY A 100 -11.723 0.236 -6.771 1.00 0.00 O ATOM 0 H GLY A 100 -11.838 1.893 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.913 2.679 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.350 1.967 -5.519 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.815 -0.106 -4.833 1.00 0.00 N ATOM 1216 CA GLY A 101 -13.735 -1.126 -5.311 1.00 0.00 C ATOM 1217 C GLY A 101 -13.144 -2.371 -5.957 1.00 0.00 C ATOM 1218 O GLY A 101 -13.850 -2.997 -6.746 1.00 0.00 O ATOM 0 H GLY A 101 -12.863 0.037 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.348 -1.445 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.405 -0.660 -6.034 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.892 -2.732 -5.660 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.102 -3.805 -6.286 1.00 0.00 C ATOM 1224 C PHE A 102 -10.478 -3.292 -7.576 1.00 0.00 C ATOM 1225 O PHE A 102 -9.283 -3.485 -7.775 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.895 -5.105 -6.547 1.00 0.00 C ATOM 1227 CG PHE A 102 -11.084 -6.379 -6.726 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.189 -6.535 -7.804 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -11.287 -7.456 -5.842 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.442 -7.718 -7.940 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.549 -8.643 -5.983 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.604 -8.761 -7.013 1.00 0.00 C ATOM 0 H PHE A 102 -11.366 -2.253 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.327 -4.077 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.584 -5.255 -5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.501 -4.960 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.077 -5.742 -8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.016 -7.369 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.744 -7.825 -8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.709 -9.464 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.001 -9.653 -7.093 1.00 0.00 H new ATOM 1242 N ALA A 103 -11.243 -2.617 -8.439 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.761 -2.198 -9.746 1.00 0.00 C ATOM 1244 C ALA A 103 -9.509 -1.327 -9.642 1.00 0.00 C ATOM 1245 O ALA A 103 -8.593 -1.496 -10.450 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.866 -1.460 -10.501 1.00 0.00 C ATOM 0 H ALA A 103 -12.208 -2.350 -8.247 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.485 -3.095 -10.300 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.495 -1.151 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.722 -2.122 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.170 -0.581 -9.933 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.449 -0.439 -8.645 1.00 0.00 N ATOM 1253 CA TYR A 104 -8.251 0.361 -8.394 1.00 0.00 C ATOM 1254 C TYR A 104 -7.080 -0.527 -7.967 1.00 0.00 C ATOM 1255 O TYR A 104 -5.966 -0.346 -8.446 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.557 1.394 -7.314 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.486 2.442 -7.065 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.194 3.394 -8.058 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.838 2.518 -5.816 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.308 4.450 -7.792 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.943 3.567 -5.545 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.690 4.550 -6.525 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.900 5.614 -6.217 1.00 0.00 O ATOM 0 H TYR A 104 -10.218 -0.257 -7.999 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.963 0.869 -9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.481 1.906 -7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.744 0.867 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.654 3.312 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.030 1.767 -5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.099 5.185 -8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -5.449 3.621 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.560 5.516 -5.303 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.317 -1.514 -7.096 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.281 -2.445 -6.649 1.00 0.00 C ATOM 1275 C LEU A 105 -5.713 -3.216 -7.834 1.00 0.00 C ATOM 1276 O LEU A 105 -4.508 -3.448 -7.893 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.805 -3.472 -5.633 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.569 -2.928 -4.420 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -8.005 -4.096 -3.526 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.678 -1.972 -3.631 1.00 0.00 C ATOM 0 H LEU A 105 -8.233 -1.688 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.514 -1.835 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.459 -4.167 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.956 -4.049 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.451 -2.386 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.548 -3.711 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.652 -4.766 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.125 -4.642 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.227 -1.589 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.790 -2.502 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.380 -1.141 -4.270 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.572 -3.617 -8.770 1.00 0.00 N ATOM 1293 CA ALA A 106 -6.154 -4.321 -9.963 1.00 0.00 C ATOM 1294 C ALA A 106 -5.275 -3.435 -10.842 1.00 0.00 C ATOM 1295 O ALA A 106 -4.291 -3.919 -11.391 1.00 0.00 O ATOM 1296 CB ALA A 106 -7.383 -4.823 -10.711 1.00 0.00 C ATOM 0 H ALA A 106 -7.578 -3.458 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.548 -5.182 -9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.070 -5.354 -11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.949 -5.499 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.011 -3.976 -10.989 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.588 -2.142 -10.950 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.748 -1.170 -11.645 1.00 0.00 C ATOM 1304 C GLU A 107 -3.389 -1.034 -10.951 1.00 0.00 C ATOM 1305 O GLU A 107 -2.358 -1.081 -11.622 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.488 0.171 -11.779 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.618 1.255 -12.433 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.465 2.351 -13.080 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.950 2.127 -14.216 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.702 3.416 -12.457 1.00 0.00 O ATOM 0 H GLU A 107 -6.438 -1.739 -10.554 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.545 -1.525 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.391 0.027 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.804 0.509 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.964 1.697 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.976 0.800 -13.187 1.00 0.00 H new ATOM 1317 N LEU A 108 -3.368 -0.937 -9.616 1.00 0.00 N ATOM 1318 CA LEU A 108 -2.128 -0.906 -8.840 1.00 0.00 C ATOM 1319 C LEU A 108 -1.296 -2.154 -9.130 1.00 0.00 C ATOM 1320 O LEU A 108 -0.096 -2.043 -9.376 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.402 -0.789 -7.327 1.00 0.00 C ATOM 1322 CG LEU A 108 -3.058 0.531 -6.879 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.389 0.465 -5.384 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -2.140 1.724 -7.123 1.00 0.00 C ATOM 0 H LEU A 108 -4.212 -0.878 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.570 -0.020 -9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.045 -1.616 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.459 -0.907 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.967 0.663 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.853 1.401 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.077 -0.360 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.473 0.307 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.636 2.638 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.215 1.592 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.912 1.796 -8.187 1.00 0.00 H new ATOM 1336 N SER A 109 -1.933 -3.327 -9.143 1.00 0.00 N ATOM 1337 CA SER A 109 -1.306 -4.591 -9.497 1.00 0.00 C ATOM 1338 C SER A 109 -0.768 -4.540 -10.930 1.00 0.00 C ATOM 1339 O SER A 109 0.352 -4.991 -11.183 1.00 0.00 O ATOM 1340 CB SER A 109 -2.316 -5.737 -9.323 1.00 0.00 C ATOM 1341 OG SER A 109 -1.669 -6.896 -8.829 1.00 0.00 O ATOM 0 H SER A 109 -2.920 -3.421 -8.902 1.00 0.00 H new ATOM 0 HA SER A 109 -0.461 -4.771 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.105 -5.433 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.792 -5.958 -10.278 1.00 0.00 H new ATOM 0 HG SER A 109 -1.599 -6.841 -7.853 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.520 -3.970 -11.875 1.00 0.00 N ATOM 1348 CA LYS A 110 -1.111 -3.894 -13.272 1.00 0.00 C ATOM 1349 C LYS A 110 0.086 -2.986 -13.480 1.00 0.00 C ATOM 1350 O LYS A 110 0.877 -3.232 -14.392 1.00 0.00 O ATOM 1351 CB LYS A 110 -2.277 -3.430 -14.164 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.488 -4.379 -15.350 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.107 -5.730 -14.958 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.498 -5.629 -14.320 1.00 0.00 C ATOM 1355 NZ LYS A 110 -5.460 -4.896 -15.166 1.00 0.00 N ATOM 0 H LYS A 110 -2.430 -3.549 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.815 -4.903 -13.560 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.191 -3.377 -13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.077 -2.424 -14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.132 -3.893 -16.083 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.529 -4.556 -15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.173 -6.357 -15.847 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.437 -6.234 -14.262 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.879 -6.632 -14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.415 -5.130 -13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.396 -4.901 -14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.139 -3.914 -15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.525 -5.356 -16.097 1.00 0.00 H new ATOM 1369 N ASN A 111 0.212 -1.943 -12.672 1.00 0.00 N ATOM 1370 CA ASN A 111 1.221 -0.899 -12.848 1.00 0.00 C ATOM 1371 C ASN A 111 2.534 -1.204 -12.135 1.00 0.00 C ATOM 1372 O ASN A 111 3.402 -0.334 -12.027 1.00 0.00 O ATOM 1373 CB ASN A 111 0.648 0.478 -12.459 1.00 0.00 C ATOM 1374 CG ASN A 111 -0.324 1.026 -13.498 1.00 0.00 C ATOM 1375 OD1 ASN A 111 -0.203 0.768 -14.695 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -1.261 1.856 -13.086 1.00 0.00 N ATOM 0 H ASN A 111 -0.391 -1.793 -11.863 1.00 0.00 H new ATOM 0 HA ASN A 111 1.474 -0.873 -13.908 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.139 0.397 -11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.468 1.184 -12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.892 2.289 -13.761 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.356 2.065 -12.092 1.00 0.00 H new ATOM 1383 N THR A 112 2.698 -2.444 -11.708 1.00 0.00 N ATOM 1384 CA THR A 112 3.756 -2.897 -10.825 1.00 0.00 C ATOM 1385 C THR A 112 5.100 -2.968 -11.566 1.00 0.00 C ATOM 1386 O THR A 112 5.231 -3.773 -12.488 1.00 0.00 O ATOM 1387 CB THR A 112 3.347 -4.255 -10.259 1.00 0.00 C ATOM 1388 OG1 THR A 112 2.182 -4.089 -9.490 1.00 0.00 O ATOM 1389 CG2 THR A 112 4.411 -4.822 -9.338 1.00 0.00 C ATOM 0 H THR A 112 2.067 -3.197 -11.981 1.00 0.00 H new ATOM 0 HA THR A 112 3.895 -2.190 -10.007 1.00 0.00 H new ATOM 0 HB THR A 112 3.197 -4.934 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.480 -4.683 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.083 -5.789 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.342 -4.947 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.573 -4.138 -8.505 1.00 0.00 H new ATOM 1397 N PRO A 113 6.129 -2.202 -11.155 1.00 0.00 N ATOM 1398 CA PRO A 113 7.490 -2.346 -11.670 1.00 0.00 C ATOM 1399 C PRO A 113 8.245 -3.549 -11.075 1.00 0.00 C ATOM 1400 O PRO A 113 9.413 -3.755 -11.415 1.00 0.00 O ATOM 1401 CB PRO A 113 8.177 -1.026 -11.327 1.00 0.00 C ATOM 1402 CG PRO A 113 7.521 -0.650 -10.005 1.00 0.00 C ATOM 1403 CD PRO A 113 6.084 -1.142 -10.157 1.00 0.00 C ATOM 0 HA PRO A 113 7.480 -2.548 -12.741 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.256 -1.144 -11.226 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.009 -0.269 -12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.020 -1.127 -9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.559 0.425 -9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 113 5.696 -1.514 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.426 -0.334 -10.475 1.00 0.00 H new ATOM 1411 N SER A 114 7.574 -4.337 -10.231 1.00 0.00 N ATOM 1412 CA SER A 114 8.001 -5.612 -9.660 1.00 0.00 C ATOM 1413 C SER A 114 9.240 -5.502 -8.762 1.00 0.00 C ATOM 1414 O SER A 114 9.788 -4.414 -8.555 1.00 0.00 O ATOM 1415 CB SER A 114 8.147 -6.634 -10.796 1.00 0.00 C ATOM 1416 OG SER A 114 6.921 -6.721 -11.503 1.00 0.00 O ATOM 0 H SER A 114 6.643 -4.077 -9.905 1.00 0.00 H new ATOM 0 HA SER A 114 7.232 -5.963 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.949 -6.334 -11.470 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.418 -7.609 -10.392 1.00 0.00 H new ATOM 0 HG SER A 114 7.009 -7.371 -12.231 1.00 0.00 H new ATOM 1422 N ALA A 115 9.647 -6.636 -8.180 1.00 0.00 N ATOM 1423 CA ALA A 115 10.809 -6.793 -7.315 1.00 0.00 C ATOM 1424 C ALA A 115 12.096 -6.636 -8.127 1.00 0.00 C ATOM 1425 O ALA A 115 12.811 -7.598 -8.408 1.00 0.00 O ATOM 1426 CB ALA A 115 10.739 -8.122 -6.556 1.00 0.00 C ATOM 0 H ALA A 115 9.143 -7.513 -8.311 1.00 0.00 H new ATOM 0 HA ALA A 115 10.811 -6.006 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.615 -8.222 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.837 -8.144 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.715 -8.947 -7.268 1.00 0.00 H new ATOM 1432 N ALA A 116 12.358 -5.404 -8.544 1.00 0.00 N ATOM 1433 CA ALA A 116 13.572 -4.944 -9.189 1.00 0.00 C ATOM 1434 C ALA A 116 13.932 -3.521 -8.727 1.00 0.00 C ATOM 1435 O ALA A 116 14.875 -2.930 -9.262 1.00 0.00 O ATOM 1436 CB ALA A 116 13.361 -5.020 -10.704 1.00 0.00 C ATOM 0 H ALA A 116 11.679 -4.652 -8.431 1.00 0.00 H new ATOM 0 HA ALA A 116 14.414 -5.578 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.262 -4.679 -11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 116 13.150 -6.050 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.521 -4.385 -10.987 1.00 0.00 H new ATOM 1442 N ASN A 117 13.167 -2.944 -7.787 1.00 0.00 N ATOM 1443 CA ASN A 117 13.397 -1.617 -7.203 1.00 0.00 C ATOM 1444 C ASN A 117 12.596 -1.386 -5.911 1.00 0.00 C ATOM 1445 O ASN A 117 12.518 -0.256 -5.436 1.00 0.00 O ATOM 1446 CB ASN A 117 13.074 -0.508 -8.234 1.00 0.00 C ATOM 1447 CG ASN A 117 14.328 0.186 -8.742 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.221 0.530 -7.977 1.00 0.00 O ATOM 1449 ND2 ASN A 117 14.420 0.412 -10.039 1.00 0.00 N ATOM 0 H ASN A 117 12.344 -3.406 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 117 14.453 -1.572 -6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.535 -0.943 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.413 0.229 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.244 0.879 -10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.668 0.119 -10.662 1.00 0.00 H new ATOM 1456 N ILE A 118 11.950 -2.407 -5.340 1.00 0.00 N ATOM 1457 CA ILE A 118 10.981 -2.250 -4.251 1.00 0.00 C ATOM 1458 C ILE A 118 11.602 -1.567 -3.033 1.00 0.00 C ATOM 1459 O ILE A 118 10.985 -0.649 -2.492 1.00 0.00 O ATOM 1460 CB ILE A 118 10.306 -3.608 -3.925 1.00 0.00 C ATOM 1461 CG1 ILE A 118 9.452 -4.092 -5.115 1.00 0.00 C ATOM 1462 CG2 ILE A 118 9.457 -3.584 -2.642 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.179 -3.285 -5.388 1.00 0.00 C ATOM 0 H ILE A 118 12.087 -3.377 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 118 10.189 -1.579 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 118 11.121 -4.310 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.070 -4.076 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.172 -5.131 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.017 -4.568 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.089 -3.324 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.663 -2.844 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.655 -3.710 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.531 -3.320 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.444 -2.250 -5.602 1.00 0.00 H new ATOM 1475 N SER A 119 12.818 -1.948 -2.643 1.00 0.00 N ATOM 1476 CA SER A 119 13.538 -1.294 -1.563 1.00 0.00 C ATOM 1477 C SER A 119 13.699 0.193 -1.853 1.00 0.00 C ATOM 1478 O SER A 119 13.415 1.017 -0.991 1.00 0.00 O ATOM 1479 CB SER A 119 14.886 -1.996 -1.365 1.00 0.00 C ATOM 1480 OG SER A 119 15.647 -1.412 -0.332 1.00 0.00 O ATOM 0 H SER A 119 13.328 -2.721 -3.071 1.00 0.00 H new ATOM 0 HA SER A 119 12.972 -1.373 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.715 -3.048 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.452 -1.959 -2.296 1.00 0.00 H new ATOM 0 HG SER A 119 16.497 -1.892 -0.240 1.00 0.00 H new ATOM 1486 N ALA A 120 14.108 0.537 -3.072 1.00 0.00 N ATOM 1487 CA ALA A 120 14.359 1.915 -3.470 1.00 0.00 C ATOM 1488 C ALA A 120 13.060 2.723 -3.454 1.00 0.00 C ATOM 1489 O ALA A 120 13.047 3.850 -2.968 1.00 0.00 O ATOM 1490 CB ALA A 120 15.030 1.967 -4.847 1.00 0.00 C ATOM 0 H ALA A 120 14.275 -0.141 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 120 15.043 2.365 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.209 3.006 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.979 1.433 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.380 1.500 -5.587 1.00 0.00 H new ATOM 1496 N TYR A 121 11.951 2.162 -3.946 1.00 0.00 N ATOM 1497 CA TYR A 121 10.663 2.829 -3.892 1.00 0.00 C ATOM 1498 C TYR A 121 10.209 3.023 -2.443 1.00 0.00 C ATOM 1499 O TYR A 121 9.713 4.098 -2.113 1.00 0.00 O ATOM 1500 CB TYR A 121 9.620 2.036 -4.681 1.00 0.00 C ATOM 1501 CG TYR A 121 9.723 2.111 -6.192 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.538 3.346 -6.845 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.912 0.942 -6.952 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.504 3.409 -8.247 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.920 1.006 -8.356 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.691 2.237 -9.009 1.00 0.00 C ATOM 1507 OH TYR A 121 9.647 2.283 -10.364 1.00 0.00 O ATOM 0 H TYR A 121 11.928 1.242 -4.387 1.00 0.00 H new ATOM 0 HA TYR A 121 10.768 3.814 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.689 0.989 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.630 2.385 -4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.422 4.249 -6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.051 -0.007 -6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.335 4.354 -8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.101 0.113 -8.936 1.00 0.00 H new ATOM 0 HH TYR A 121 9.797 1.385 -10.727 1.00 0.00 H new ATOM 1517 N ALA A 122 10.374 2.025 -1.571 1.00 0.00 N ATOM 1518 CA ALA A 122 10.018 2.154 -0.164 1.00 0.00 C ATOM 1519 C ALA A 122 10.898 3.195 0.526 1.00 0.00 C ATOM 1520 O ALA A 122 10.401 3.981 1.327 1.00 0.00 O ATOM 1521 CB ALA A 122 10.122 0.786 0.514 1.00 0.00 C ATOM 0 H ALA A 122 10.756 1.113 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 122 8.989 2.503 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.856 0.881 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.441 0.087 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.143 0.415 0.430 1.00 0.00 H new ATOM 1527 N ASP A 123 12.187 3.236 0.193 1.00 0.00 N ATOM 1528 CA ASP A 123 13.128 4.245 0.661 1.00 0.00 C ATOM 1529 C ASP A 123 12.656 5.631 0.244 1.00 0.00 C ATOM 1530 O ASP A 123 12.663 6.544 1.059 1.00 0.00 O ATOM 1531 CB ASP A 123 14.527 3.955 0.106 1.00 0.00 C ATOM 1532 CG ASP A 123 15.643 4.509 0.984 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.709 5.729 1.256 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.480 3.677 1.403 1.00 0.00 O ATOM 0 H ASP A 123 12.615 2.548 -0.427 1.00 0.00 H new ATOM 0 HA ASP A 123 13.177 4.212 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.655 2.877 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.612 4.383 -0.893 1.00 0.00 H new ATOM 1539 N ILE A 124 12.193 5.786 -0.997 1.00 0.00 N ATOM 1540 CA ILE A 124 11.662 7.035 -1.526 1.00 0.00 C ATOM 1541 C ILE A 124 10.421 7.461 -0.735 1.00 0.00 C ATOM 1542 O ILE A 124 10.313 8.636 -0.385 1.00 0.00 O ATOM 1543 CB ILE A 124 11.427 6.884 -3.049 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.781 7.014 -3.783 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.412 7.897 -3.604 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.750 6.486 -5.222 1.00 0.00 C ATOM 0 H ILE A 124 12.178 5.025 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 124 12.378 7.847 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 124 10.996 5.898 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.079 8.062 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.543 6.473 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.291 7.740 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.452 7.760 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.773 8.910 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 124 13.733 6.609 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.483 5.429 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 124 12.012 7.044 -5.798 1.00 0.00 H new ATOM 1558 N VAL A 125 9.482 6.553 -0.452 1.00 0.00 N ATOM 1559 CA VAL A 125 8.306 6.876 0.358 1.00 0.00 C ATOM 1560 C VAL A 125 8.768 7.323 1.749 1.00 0.00 C ATOM 1561 O VAL A 125 8.347 8.382 2.216 1.00 0.00 O ATOM 1562 CB VAL A 125 7.331 5.682 0.393 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.141 5.910 1.342 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.771 5.407 -1.010 1.00 0.00 C ATOM 0 H VAL A 125 9.515 5.586 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 125 7.751 7.703 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 125 7.909 4.833 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.489 5.036 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.509 6.068 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.581 6.787 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.084 4.561 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.240 6.288 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.591 5.176 -1.690 1.00 0.00 H new ATOM 1574 N ARG A 126 9.673 6.570 2.386 1.00 0.00 N ATOM 1575 CA ARG A 126 10.269 6.949 3.665 1.00 0.00 C ATOM 1576 C ARG A 126 10.914 8.326 3.573 1.00 0.00 C ATOM 1577 O ARG A 126 10.761 9.111 4.500 1.00 0.00 O ATOM 1578 CB ARG A 126 11.271 5.872 4.110 1.00 0.00 C ATOM 1579 CG ARG A 126 12.038 6.181 5.400 1.00 0.00 C ATOM 1580 CD ARG A 126 11.135 6.445 6.610 1.00 0.00 C ATOM 1581 NE ARG A 126 11.860 6.159 7.858 1.00 0.00 N ATOM 1582 CZ ARG A 126 11.305 5.947 9.056 1.00 0.00 C ATOM 1583 NH1 ARG A 126 10.001 6.106 9.245 1.00 0.00 N ATOM 1584 NH2 ARG A 126 12.069 5.609 10.087 1.00 0.00 N ATOM 0 H ARG A 126 10.011 5.678 2.024 1.00 0.00 H new ATOM 0 HA ARG A 126 9.487 7.015 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.734 4.933 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.992 5.716 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.699 5.345 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.672 7.052 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.802 7.483 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.242 5.823 6.549 1.00 0.00 H new ATOM 0 HE ARG A 126 12.878 6.119 7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.405 6.394 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.595 5.940 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.077 5.512 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.648 5.447 11.002 1.00 0.00 H new ATOM 1598 N GLU A 127 11.586 8.656 2.473 1.00 0.00 N ATOM 1599 CA GLU A 127 12.190 9.959 2.249 1.00 0.00 C ATOM 1600 C GLU A 127 11.109 11.038 2.352 1.00 0.00 C ATOM 1601 O GLU A 127 11.289 12.033 3.050 1.00 0.00 O ATOM 1602 CB GLU A 127 12.889 9.991 0.873 1.00 0.00 C ATOM 1603 CG GLU A 127 14.119 10.906 0.806 1.00 0.00 C ATOM 1604 CD GLU A 127 15.420 10.171 1.144 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.964 9.444 0.282 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.958 10.358 2.259 1.00 0.00 O ATOM 0 H GLU A 127 11.727 8.008 1.698 1.00 0.00 H new ATOM 0 HA GLU A 127 12.948 10.153 3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.191 8.977 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.169 10.315 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.196 11.332 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.986 11.738 1.497 1.00 0.00 H new ATOM 1613 N ARG A 128 9.963 10.859 1.684 1.00 0.00 N ATOM 1614 CA ARG A 128 8.910 11.879 1.710 1.00 0.00 C ATOM 1615 C ARG A 128 8.221 11.920 3.073 1.00 0.00 C ATOM 1616 O ARG A 128 7.802 13.006 3.485 1.00 0.00 O ATOM 1617 CB ARG A 128 7.891 11.706 0.570 1.00 0.00 C ATOM 1618 CG ARG A 128 8.491 11.463 -0.827 1.00 0.00 C ATOM 1619 CD ARG A 128 9.715 12.319 -1.197 1.00 0.00 C ATOM 1620 NE ARG A 128 10.316 11.825 -2.444 1.00 0.00 N ATOM 1621 CZ ARG A 128 11.579 12.001 -2.854 1.00 0.00 C ATOM 1622 NH1 ARG A 128 12.444 12.733 -2.156 1.00 0.00 N ATOM 1623 NH2 ARG A 128 11.979 11.445 -3.991 1.00 0.00 N ATOM 0 H ARG A 128 9.744 10.032 1.128 1.00 0.00 H new ATOM 0 HA ARG A 128 9.396 12.841 1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.237 10.869 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.266 12.598 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.772 10.412 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.713 11.638 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.418 13.361 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.449 12.286 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 128 9.706 11.291 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.151 13.177 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.400 12.850 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.327 10.889 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.939 11.573 -4.311 1.00 0.00 H new ATOM 1637 N ALA A 129 8.119 10.800 3.789 1.00 0.00 N ATOM 1638 CA ALA A 129 7.661 10.802 5.172 1.00 0.00 C ATOM 1639 C ALA A 129 8.640 11.593 6.045 1.00 0.00 C ATOM 1640 O ALA A 129 8.223 12.417 6.854 1.00 0.00 O ATOM 1641 CB ALA A 129 7.486 9.370 5.679 1.00 0.00 C ATOM 0 H ALA A 129 8.350 9.875 3.427 1.00 0.00 H new ATOM 0 HA ALA A 129 6.688 11.291 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.143 9.390 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.750 8.853 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.440 8.845 5.622 1.00 0.00 H new ATOM 1647 N VAL A 130 9.947 11.419 5.856 1.00 0.00 N ATOM 1648 CA VAL A 130 10.952 12.175 6.585 1.00 0.00 C ATOM 1649 C VAL A 130 10.893 13.663 6.217 1.00 0.00 C ATOM 1650 O VAL A 130 11.081 14.513 7.082 1.00 0.00 O ATOM 1651 CB VAL A 130 12.326 11.520 6.384 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.479 12.399 6.876 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.382 10.199 7.174 1.00 0.00 C ATOM 0 H VAL A 130 10.334 10.749 5.192 1.00 0.00 H new ATOM 0 HA VAL A 130 10.749 12.146 7.656 1.00 0.00 H new ATOM 0 HB VAL A 130 12.443 11.361 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.425 11.885 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.476 13.342 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.357 12.597 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.357 9.732 7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.227 10.402 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.602 9.527 6.815 1.00 0.00 H new ATOM 1663 N VAL A 131 10.523 14.028 4.992 1.00 0.00 N ATOM 1664 CA VAL A 131 10.290 15.436 4.664 1.00 0.00 C ATOM 1665 C VAL A 131 9.106 15.987 5.483 1.00 0.00 C ATOM 1666 O VAL A 131 9.125 17.157 5.874 1.00 0.00 O ATOM 1667 CB VAL A 131 10.110 15.591 3.141 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.628 16.982 2.728 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.442 15.353 2.419 1.00 0.00 C ATOM 0 H VAL A 131 10.379 13.380 4.218 1.00 0.00 H new ATOM 0 HA VAL A 131 11.156 16.037 4.942 1.00 0.00 H new ATOM 0 HB VAL A 131 9.356 14.855 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.522 17.023 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.665 17.187 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.353 17.729 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.299 15.466 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.178 16.079 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.797 14.345 2.634 1.00 0.00 H new ATOM 1679 N ARG A 132 8.085 15.176 5.791 1.00 0.00 N ATOM 1680 CA ARG A 132 7.031 15.577 6.722 1.00 0.00 C ATOM 1681 C ARG A 132 7.583 15.748 8.128 1.00 0.00 C ATOM 1682 O ARG A 132 7.324 16.770 8.763 1.00 0.00 O ATOM 1683 CB ARG A 132 5.834 14.615 6.637 1.00 0.00 C ATOM 1684 CG ARG A 132 4.656 15.004 7.536 1.00 0.00 C ATOM 1685 CD ARG A 132 3.437 14.172 7.125 1.00 0.00 C ATOM 1686 NE ARG A 132 2.343 14.272 8.103 1.00 0.00 N ATOM 1687 CZ ARG A 132 1.899 13.290 8.896 1.00 0.00 C ATOM 1688 NH1 ARG A 132 2.510 12.114 8.951 1.00 0.00 N ATOM 1689 NH2 ARG A 132 0.816 13.506 9.625 1.00 0.00 N ATOM 0 H ARG A 132 7.970 14.238 5.407 1.00 0.00 H new ATOM 0 HA ARG A 132 6.651 16.557 6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.490 14.570 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.167 13.613 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.902 14.824 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.439 16.068 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.083 14.506 6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.731 13.128 7.016 1.00 0.00 H new ATOM 0 HE ARG A 132 1.878 15.176 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.338 11.942 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.152 11.381 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.339 14.406 9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.459 12.772 10.237 1.00 0.00 H new ATOM 1703 N GLU A 133 8.330 14.767 8.619 1.00 0.00 N ATOM 1704 CA GLU A 133 8.840 14.757 9.993 1.00 0.00 C ATOM 1705 C GLU A 133 9.837 15.905 10.225 1.00 0.00 C ATOM 1706 O GLU A 133 9.854 16.503 11.301 1.00 0.00 O ATOM 1707 CB GLU A 133 9.360 13.352 10.383 1.00 0.00 C ATOM 1708 CG GLU A 133 10.848 13.025 10.147 1.00 0.00 C ATOM 1709 CD GLU A 133 11.833 13.518 11.209 1.00 0.00 C ATOM 1710 OE1 GLU A 133 11.421 14.011 12.281 1.00 0.00 O ATOM 1711 OE2 GLU A 133 13.061 13.355 11.003 1.00 0.00 O ATOM 0 H GLU A 133 8.603 13.949 8.075 1.00 0.00 H new ATOM 0 HA GLU A 133 8.020 14.956 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.153 13.205 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.769 12.617 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.950 11.943 10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.142 13.448 9.187 1.00 0.00 H new ATOM 1718 N MET A 134 10.618 16.275 9.207 1.00 0.00 N ATOM 1719 CA MET A 134 11.555 17.395 9.226 1.00 0.00 C ATOM 1720 C MET A 134 10.888 18.746 8.947 1.00 0.00 C ATOM 1721 O MET A 134 11.525 19.777 9.176 1.00 0.00 O ATOM 1722 CB MET A 134 12.660 17.170 8.182 1.00 0.00 C ATOM 1723 CG MET A 134 13.612 16.042 8.587 1.00 0.00 C ATOM 1724 SD MET A 134 14.877 15.634 7.354 1.00 0.00 S ATOM 1725 CE MET A 134 15.825 17.177 7.293 1.00 0.00 C ATOM 0 H MET A 134 10.613 15.782 8.314 1.00 0.00 H new ATOM 0 HA MET A 134 11.968 17.431 10.234 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.206 16.933 7.220 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.226 18.092 8.049 1.00 0.00 H new ATOM 0 HG2 MET A 134 14.108 16.321 9.517 1.00 0.00 H new ATOM 0 HG3 MET A 134 13.025 15.147 8.794 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.727 17.026 6.700 1.00 0.00 H new ATOM 0 HE2 MET A 134 15.218 17.959 6.837 1.00 0.00 H new ATOM 0 HE3 MET A 134 16.101 17.475 8.305 1.00 0.00 H new ATOM 1735 N ILE A 135 9.633 18.746 8.491 1.00 0.00 N ATOM 1736 CA ILE A 135 8.870 19.881 7.985 1.00 0.00 C ATOM 1737 C ILE A 135 9.535 20.522 6.760 1.00 0.00 C ATOM 1738 O ILE A 135 10.527 21.255 6.853 1.00 0.00 O ATOM 1739 CB ILE A 135 8.510 20.865 9.126 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.497 20.224 10.099 1.00 0.00 C ATOM 1741 CG2 ILE A 135 8.002 22.229 8.626 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.043 20.185 9.619 1.00 0.00 C ATOM 0 H ILE A 135 9.086 17.886 8.466 1.00 0.00 H new ATOM 0 HA ILE A 135 7.914 19.518 7.609 1.00 0.00 H new ATOM 0 HB ILE A 135 9.440 21.067 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.818 19.203 10.307 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.534 20.769 11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 135 7.769 22.866 9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.772 22.704 8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.104 22.085 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.421 19.714 10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.691 21.201 9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 135 5.980 19.612 8.694 1.00 0.00 H new ATOM 1754 N SER A 136 8.980 20.236 5.582 1.00 0.00 N ATOM 1755 CA SER A 136 9.315 20.936 4.349 1.00 0.00 C ATOM 1756 C SER A 136 8.965 22.413 4.489 1.00 0.00 C ATOM 1757 O SER A 136 7.945 22.744 5.137 1.00 0.00 O ATOM 1758 CB SER A 136 8.599 20.321 3.140 1.00 0.00 C ATOM 1759 OG SER A 136 7.344 19.726 3.459 1.00 0.00 O ATOM 1760 OXT SER A 136 9.651 23.243 3.859 1.00 0.00 O ATOM 0 H SER A 136 8.279 19.505 5.459 1.00 0.00 H new ATOM 0 HA SER A 136 10.386 20.835 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 136 8.443 21.095 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 136 9.245 19.567 2.691 1.00 0.00 H new ATOM 0 HG SER A 136 6.941 19.356 2.646 1.00 0.00 H new TER 1766 SER A 136