USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 63 TYR OH : rot 0:sc= -0.37 USER MOD Set 1.2: A 69 THR OG1 : rot -140:sc= -0.708 USER MOD Set 2.1: A 52 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 72:sc= 0.441 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.159 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -122:sc= -2.11 (180deg=-2.29) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.039) USER MOD Single : A 19 GLN : amide:sc= 0.948 K(o=0.95,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.447 K(o=0.45,f=-6.8!) USER MOD Single : A 35 THR OG1 : rot -152:sc= 0.234 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.0151 K(o=0.015,f=-2.4!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 159:sc= -1.14 (180deg=-1.29) USER MOD Single : A 62 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.35) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.27) USER MOD Single : A 80 MET CE :methyl 167:sc= -1.63 (180deg=-2.08) USER MOD Single : A 82 TYR OH : rot 77:sc= -0.193 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 93 SER OG : rot 18:sc= 1.07 USER MOD Single : A 94 SER OG : rot 180:sc= -0.446 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 39:sc= 0.662 USER MOD Single : A 99 SER OG : rot 38:sc= 0.487 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.052 16.246 9.582 1.00 0.00 N ATOM 2 CA GLY A 1 15.281 15.301 8.728 1.00 0.00 C ATOM 3 C GLY A 1 16.118 14.721 7.605 1.00 0.00 C ATOM 4 O GLY A 1 16.668 13.628 7.733 1.00 0.00 O ATOM 0 H1 GLY A 1 15.436 16.615 10.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.860 15.749 10.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.399 17.035 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.895 14.490 9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.419 15.818 8.305 1.00 0.00 H new ATOM 10 N SER A 2 16.212 15.453 6.501 1.00 0.00 N ATOM 11 CA SER A 2 16.988 15.005 5.349 1.00 0.00 C ATOM 12 C SER A 2 16.437 13.694 4.800 1.00 0.00 C ATOM 13 O SER A 2 17.194 12.813 4.391 1.00 0.00 O ATOM 14 CB SER A 2 18.458 14.834 5.735 1.00 0.00 C ATOM 15 OG SER A 2 19.282 14.749 4.585 1.00 0.00 O ATOM 0 H SER A 2 15.761 16.360 6.378 1.00 0.00 H new ATOM 0 HA SER A 2 16.910 15.764 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.775 15.675 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.576 13.934 6.338 1.00 0.00 H new ATOM 0 HG SER A 2 18.983 14.004 4.023 1.00 0.00 H new ATOM 21 N SER A 3 15.114 13.570 4.794 1.00 0.00 N ATOM 22 CA SER A 3 14.461 12.365 4.294 1.00 0.00 C ATOM 23 C SER A 3 14.075 12.524 2.828 1.00 0.00 C ATOM 24 O SER A 3 13.429 13.500 2.448 1.00 0.00 O ATOM 25 CB SER A 3 13.221 12.048 5.130 1.00 0.00 C ATOM 26 OG SER A 3 12.887 10.673 5.047 1.00 0.00 O ATOM 0 H SER A 3 14.473 14.289 5.130 1.00 0.00 H new ATOM 0 HA SER A 3 15.166 11.538 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.401 12.319 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.381 12.651 4.784 1.00 0.00 H new ATOM 0 HG SER A 3 12.092 10.496 5.592 1.00 0.00 H new ATOM 32 N GLY A 4 14.472 11.556 2.008 1.00 0.00 N ATOM 33 CA GLY A 4 14.157 11.608 0.592 1.00 0.00 C ATOM 34 C GLY A 4 12.670 11.484 0.324 1.00 0.00 C ATOM 35 O GLY A 4 12.138 10.378 0.240 1.00 0.00 O ATOM 0 H GLY A 4 15.006 10.737 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.521 12.548 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.684 10.806 0.076 1.00 0.00 H new ATOM 39 N SER A 5 11.998 12.623 0.192 1.00 0.00 N ATOM 40 CA SER A 5 10.563 12.638 -0.068 1.00 0.00 C ATOM 41 C SER A 5 9.798 11.950 1.058 1.00 0.00 C ATOM 42 O SER A 5 10.380 11.568 2.073 1.00 0.00 O ATOM 43 CB SER A 5 10.257 11.952 -1.401 1.00 0.00 C ATOM 44 OG SER A 5 9.207 12.613 -2.086 1.00 0.00 O ATOM 0 H SER A 5 12.424 13.547 0.261 1.00 0.00 H new ATOM 0 HA SER A 5 10.240 13.678 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.152 11.943 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.982 10.912 -1.224 1.00 0.00 H new ATOM 0 HG SER A 5 9.032 12.156 -2.935 1.00 0.00 H new ATOM 50 N SER A 6 8.492 11.794 0.871 1.00 0.00 N ATOM 51 CA SER A 6 7.648 11.151 1.872 1.00 0.00 C ATOM 52 C SER A 6 6.510 10.380 1.209 1.00 0.00 C ATOM 53 O SER A 6 6.168 10.629 0.053 1.00 0.00 O ATOM 54 CB SER A 6 7.080 12.193 2.836 1.00 0.00 C ATOM 55 OG SER A 6 6.674 13.362 2.144 1.00 0.00 O ATOM 0 H SER A 6 7.995 12.104 0.036 1.00 0.00 H new ATOM 0 HA SER A 6 8.263 10.446 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.230 11.771 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.832 12.451 3.582 1.00 0.00 H new ATOM 0 HG SER A 6 6.313 14.012 2.783 1.00 0.00 H new ATOM 61 N GLY A 7 5.927 9.443 1.950 1.00 0.00 N ATOM 62 CA GLY A 7 4.835 8.651 1.417 1.00 0.00 C ATOM 63 C GLY A 7 3.475 9.200 1.806 1.00 0.00 C ATOM 64 O GLY A 7 3.380 10.273 2.403 1.00 0.00 O ATOM 0 H GLY A 7 6.191 9.219 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.912 8.617 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.925 7.626 1.776 1.00 0.00 H new ATOM 68 N ASP A 8 2.423 8.463 1.468 1.00 0.00 N ATOM 69 CA ASP A 8 1.063 8.883 1.785 1.00 0.00 C ATOM 70 C ASP A 8 0.202 7.685 2.179 1.00 0.00 C ATOM 71 O ASP A 8 -0.834 7.423 1.568 1.00 0.00 O ATOM 72 CB ASP A 8 0.438 9.607 0.590 1.00 0.00 C ATOM 73 CG ASP A 8 0.765 11.088 0.576 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.858 11.451 0.094 1.00 0.00 O ATOM 75 OD2 ASP A 8 -0.073 11.884 1.048 1.00 0.00 O ATOM 0 H ASP A 8 2.486 7.572 0.975 1.00 0.00 H new ATOM 0 HA ASP A 8 1.108 9.569 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.793 9.151 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.644 9.477 0.615 1.00 0.00 H new ATOM 80 N MET A 9 0.642 6.961 3.203 1.00 0.00 N ATOM 81 CA MET A 9 -0.087 5.792 3.679 1.00 0.00 C ATOM 82 C MET A 9 -0.899 6.125 4.927 1.00 0.00 C ATOM 83 O MET A 9 -1.937 5.515 5.185 1.00 0.00 O ATOM 84 CB MET A 9 0.886 4.647 3.978 1.00 0.00 C ATOM 85 CG MET A 9 1.035 3.661 2.830 1.00 0.00 C ATOM 86 SD MET A 9 0.227 2.082 3.159 1.00 0.00 S ATOM 87 CE MET A 9 -0.419 1.687 1.536 1.00 0.00 C ATOM 0 H MET A 9 1.499 7.163 3.718 1.00 0.00 H new ATOM 0 HA MET A 9 -0.776 5.480 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.864 5.065 4.216 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.544 4.112 4.864 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.614 4.098 1.924 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.094 3.490 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.500 1.563 1.595 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.184 2.496 0.844 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.033 0.761 1.180 1.00 0.00 H new ATOM 97 N LYS A 10 -0.421 7.096 5.698 1.00 0.00 N ATOM 98 CA LYS A 10 -1.104 7.509 6.919 1.00 0.00 C ATOM 99 C LYS A 10 -2.516 7.998 6.616 1.00 0.00 C ATOM 100 O LYS A 10 -3.422 7.861 7.437 1.00 0.00 O ATOM 101 CB LYS A 10 -0.311 8.610 7.625 1.00 0.00 C ATOM 102 CG LYS A 10 1.184 8.335 7.696 1.00 0.00 C ATOM 103 CD LYS A 10 1.733 8.570 9.097 1.00 0.00 C ATOM 104 CE LYS A 10 2.185 7.271 9.746 1.00 0.00 C ATOM 105 NZ LYS A 10 3.666 7.119 9.713 1.00 0.00 N ATOM 0 H LYS A 10 0.436 7.612 5.499 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.173 6.642 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.474 9.554 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.698 8.733 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.379 7.305 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.707 8.978 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.572 9.264 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.967 9.039 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.840 7.243 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.722 6.428 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.933 6.221 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.993 7.120 8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.108 7.909 10.225 1.00 0.00 H new ATOM 119 N GLN A 11 -2.696 8.570 5.429 1.00 0.00 N ATOM 120 CA GLN A 11 -3.999 9.081 5.017 1.00 0.00 C ATOM 121 C GLN A 11 -5.038 7.963 4.985 1.00 0.00 C ATOM 122 O GLN A 11 -6.221 8.195 5.232 1.00 0.00 O ATOM 123 CB GLN A 11 -3.900 9.739 3.640 1.00 0.00 C ATOM 124 CG GLN A 11 -3.380 8.808 2.556 1.00 0.00 C ATOM 125 CD GLN A 11 -3.515 9.398 1.167 1.00 0.00 C ATOM 126 OE1 GLN A 11 -3.204 10.569 0.944 1.00 0.00 O ATOM 127 NE2 GLN A 11 -3.980 8.589 0.223 1.00 0.00 N ATOM 0 H GLN A 11 -1.957 8.691 4.737 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.316 9.826 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.885 10.106 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.244 10.607 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.332 8.581 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.924 7.865 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.225 7.626 0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.092 8.930 -0.732 1.00 0.00 H new ATOM 136 N LEU A 12 -4.586 6.751 4.680 1.00 0.00 N ATOM 137 CA LEU A 12 -5.477 5.597 4.616 1.00 0.00 C ATOM 138 C LEU A 12 -6.061 5.284 5.989 1.00 0.00 C ATOM 139 O LEU A 12 -5.391 5.436 7.011 1.00 0.00 O ATOM 140 CB LEU A 12 -4.728 4.377 4.077 1.00 0.00 C ATOM 141 CG LEU A 12 -4.593 4.321 2.555 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.598 3.244 2.147 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.947 4.071 1.909 1.00 0.00 C ATOM 0 H LEU A 12 -3.609 6.542 4.473 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.296 5.839 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.730 4.359 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.241 3.476 4.414 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.219 5.284 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.515 3.218 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.623 3.466 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.943 2.275 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.832 4.034 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.350 3.122 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.631 4.877 2.174 1.00 0.00 H new ATOM 155 N ALA A 13 -7.315 4.844 6.006 1.00 0.00 N ATOM 156 CA ALA A 13 -7.990 4.506 7.254 1.00 0.00 C ATOM 157 C ALA A 13 -7.804 3.033 7.596 1.00 0.00 C ATOM 158 O ALA A 13 -7.553 2.208 6.717 1.00 0.00 O ATOM 159 CB ALA A 13 -9.469 4.847 7.163 1.00 0.00 C ATOM 0 H ALA A 13 -7.884 4.713 5.170 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.542 5.097 8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.960 4.589 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.585 5.914 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.923 4.282 6.349 1.00 0.00 H new ATOM 165 N GLU A 14 -7.929 2.706 8.878 1.00 0.00 N ATOM 166 CA GLU A 14 -7.774 1.331 9.336 1.00 0.00 C ATOM 167 C GLU A 14 -8.794 0.416 8.666 1.00 0.00 C ATOM 168 O GLU A 14 -8.506 -0.746 8.377 1.00 0.00 O ATOM 169 CB GLU A 14 -7.926 1.256 10.856 1.00 0.00 C ATOM 170 CG GLU A 14 -7.220 0.063 11.481 1.00 0.00 C ATOM 171 CD GLU A 14 -7.671 -0.202 12.903 1.00 0.00 C ATOM 172 OE1 GLU A 14 -8.815 -0.669 13.086 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.880 0.059 13.835 1.00 0.00 O ATOM 0 H GLU A 14 -8.137 3.376 9.619 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.774 0.994 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.533 2.172 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.986 1.211 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.405 -0.823 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.144 0.236 11.471 1.00 0.00 H new ATOM 180 N ASP A 15 -9.987 0.948 8.421 1.00 0.00 N ATOM 181 CA ASP A 15 -11.050 0.179 7.783 1.00 0.00 C ATOM 182 C ASP A 15 -10.679 -0.175 6.347 1.00 0.00 C ATOM 183 O ASP A 15 -11.084 -1.216 5.830 1.00 0.00 O ATOM 184 CB ASP A 15 -12.361 0.968 7.805 1.00 0.00 C ATOM 185 CG ASP A 15 -13.014 0.966 9.172 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.747 0.032 9.958 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.794 1.898 9.459 1.00 0.00 O ATOM 0 H ASP A 15 -10.242 1.908 8.654 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.182 -0.747 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.168 1.996 7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.050 0.542 7.076 1.00 0.00 H new ATOM 192 N VAL A 16 -9.907 0.698 5.708 1.00 0.00 N ATOM 193 CA VAL A 16 -9.482 0.477 4.331 1.00 0.00 C ATOM 194 C VAL A 16 -8.430 -0.626 4.252 1.00 0.00 C ATOM 195 O VAL A 16 -8.496 -1.499 3.386 1.00 0.00 O ATOM 196 CB VAL A 16 -8.907 1.763 3.706 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.608 1.555 2.229 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.866 2.929 3.904 1.00 0.00 C ATOM 0 H VAL A 16 -9.563 1.565 6.122 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.367 0.175 3.772 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.971 2.001 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.203 2.475 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.880 0.752 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.527 1.289 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.443 3.828 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.820 2.701 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.023 3.094 4.970 1.00 0.00 H new ATOM 208 N LYS A 17 -7.463 -0.580 5.161 1.00 0.00 N ATOM 209 CA LYS A 17 -6.397 -1.575 5.195 1.00 0.00 C ATOM 210 C LYS A 17 -6.883 -2.876 5.827 1.00 0.00 C ATOM 211 O LYS A 17 -6.384 -3.955 5.509 1.00 0.00 O ATOM 212 CB LYS A 17 -5.194 -1.037 5.970 1.00 0.00 C ATOM 213 CG LYS A 17 -4.673 0.290 5.439 1.00 0.00 C ATOM 214 CD LYS A 17 -4.552 1.327 6.545 1.00 0.00 C ATOM 215 CE LYS A 17 -3.147 1.364 7.124 1.00 0.00 C ATOM 216 NZ LYS A 17 -3.010 0.466 8.305 1.00 0.00 N ATOM 0 H LYS A 17 -7.395 0.136 5.885 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.097 -1.783 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.471 -0.916 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.391 -1.773 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.699 0.139 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.343 0.661 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.811 2.310 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.267 1.101 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.430 1.068 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.900 2.385 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.038 0.519 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.676 0.764 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.220 -0.513 8.023 1.00 0.00 H new ATOM 230 N LEU A 18 -7.859 -2.766 6.723 1.00 0.00 N ATOM 231 CA LEU A 18 -8.412 -3.936 7.399 1.00 0.00 C ATOM 232 C LEU A 18 -8.957 -4.942 6.390 1.00 0.00 C ATOM 233 O LEU A 18 -8.943 -6.149 6.633 1.00 0.00 O ATOM 234 CB LEU A 18 -9.520 -3.514 8.367 1.00 0.00 C ATOM 235 CG LEU A 18 -9.061 -3.255 9.804 1.00 0.00 C ATOM 236 CD1 LEU A 18 -10.119 -2.476 10.569 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.749 -4.568 10.506 1.00 0.00 C ATOM 0 H LEU A 18 -8.283 -1.880 6.998 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.609 -4.413 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.991 -2.609 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.285 -4.290 8.380 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.151 -2.656 9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.776 -2.301 11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.294 -1.520 10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.047 -3.048 10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.424 -4.367 11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.643 -5.191 10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.956 -5.088 9.969 1.00 0.00 H new ATOM 249 N GLN A 19 -9.436 -4.438 5.258 1.00 0.00 N ATOM 250 CA GLN A 19 -9.985 -5.294 4.213 1.00 0.00 C ATOM 251 C GLN A 19 -8.871 -5.930 3.387 1.00 0.00 C ATOM 252 O GLN A 19 -8.990 -7.071 2.943 1.00 0.00 O ATOM 253 CB GLN A 19 -10.913 -4.488 3.301 1.00 0.00 C ATOM 254 CG GLN A 19 -12.086 -3.856 4.033 1.00 0.00 C ATOM 255 CD GLN A 19 -12.768 -2.776 3.215 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.467 -3.065 2.244 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.567 -1.522 3.604 1.00 0.00 N ATOM 0 H GLN A 19 -9.455 -3.442 5.041 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.556 -6.089 4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.336 -3.704 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.294 -5.141 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.812 -4.629 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.736 -3.429 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.980 -1.328 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.000 -0.754 3.092 1.00 0.00 H new ATOM 266 N LEU A 20 -7.790 -5.183 3.186 1.00 0.00 N ATOM 267 CA LEU A 20 -6.656 -5.674 2.413 1.00 0.00 C ATOM 268 C LEU A 20 -6.034 -6.900 3.075 1.00 0.00 C ATOM 269 O LEU A 20 -5.504 -7.781 2.397 1.00 0.00 O ATOM 270 CB LEU A 20 -5.604 -4.574 2.259 1.00 0.00 C ATOM 271 CG LEU A 20 -5.888 -3.558 1.153 1.00 0.00 C ATOM 272 CD1 LEU A 20 -5.026 -2.317 1.333 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.648 -4.179 -0.215 1.00 0.00 C ATOM 0 H LEU A 20 -7.676 -4.236 3.548 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.019 -5.962 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.515 -4.042 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.638 -5.040 2.064 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.935 -3.262 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.242 -1.605 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.244 -1.859 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.973 -2.597 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.855 -3.442 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.610 -4.503 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.307 -5.038 -0.345 1.00 0.00 H new ATOM 285 N TYR A 21 -6.100 -6.950 4.401 1.00 0.00 N ATOM 286 CA TYR A 21 -5.543 -8.068 5.153 1.00 0.00 C ATOM 287 C TYR A 21 -6.326 -9.350 4.884 1.00 0.00 C ATOM 288 O TYR A 21 -5.767 -10.448 4.914 1.00 0.00 O ATOM 289 CB TYR A 21 -5.551 -7.759 6.651 1.00 0.00 C ATOM 290 CG TYR A 21 -4.767 -6.519 7.019 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.525 -6.266 6.450 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.268 -5.602 7.933 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.805 -5.134 6.783 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.555 -4.468 8.271 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.324 -4.239 7.693 1.00 0.00 C ATOM 296 OH TYR A 21 -2.611 -3.111 8.027 1.00 0.00 O ATOM 0 H TYR A 21 -6.534 -6.229 4.977 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.514 -8.215 4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.582 -7.638 6.983 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.140 -8.612 7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.115 -6.965 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.232 -5.778 8.388 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.841 -4.952 6.332 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.959 -3.765 8.984 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.118 -2.585 8.680 1.00 0.00 H new ATOM 306 N LYS A 22 -7.620 -9.203 4.620 1.00 0.00 N ATOM 307 CA LYS A 22 -8.479 -10.349 4.346 1.00 0.00 C ATOM 308 C LYS A 22 -8.275 -10.856 2.922 1.00 0.00 C ATOM 309 O LYS A 22 -8.366 -12.056 2.660 1.00 0.00 O ATOM 310 CB LYS A 22 -9.946 -9.975 4.560 1.00 0.00 C ATOM 311 CG LYS A 22 -10.360 -9.950 6.024 1.00 0.00 C ATOM 312 CD LYS A 22 -11.041 -8.641 6.391 1.00 0.00 C ATOM 313 CE LYS A 22 -12.222 -8.869 7.321 1.00 0.00 C ATOM 314 NZ LYS A 22 -12.690 -7.601 7.947 1.00 0.00 N ATOM 0 H LYS A 22 -8.097 -8.302 4.590 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.209 -11.147 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.130 -8.994 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.576 -10.686 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.036 -10.781 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.482 -10.093 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.322 -7.977 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.382 -8.140 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.041 -9.322 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.939 -9.576 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.496 -7.800 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.916 -7.181 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.985 -6.935 7.204 1.00 0.00 H new ATOM 328 N LEU A 23 -8.000 -9.935 2.005 1.00 0.00 N ATOM 329 CA LEU A 23 -7.784 -10.288 0.607 1.00 0.00 C ATOM 330 C LEU A 23 -6.442 -10.990 0.422 1.00 0.00 C ATOM 331 O LEU A 23 -6.376 -12.085 -0.136 1.00 0.00 O ATOM 332 CB LEU A 23 -7.843 -9.036 -0.272 1.00 0.00 C ATOM 333 CG LEU A 23 -9.251 -8.505 -0.546 1.00 0.00 C ATOM 334 CD1 LEU A 23 -9.225 -6.994 -0.720 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.843 -9.174 -1.776 1.00 0.00 C ATOM 0 H LEU A 23 -7.921 -8.938 2.205 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.576 -10.974 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.260 -8.248 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.362 -9.256 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.882 -8.742 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.235 -6.633 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.842 -6.530 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.579 -6.735 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.845 -8.784 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.213 -8.968 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.896 -10.251 -1.614 1.00 0.00 H new ATOM 347 N LEU A 24 -5.375 -10.352 0.894 1.00 0.00 N ATOM 348 CA LEU A 24 -4.035 -10.916 0.781 1.00 0.00 C ATOM 349 C LEU A 24 -3.952 -12.272 1.477 1.00 0.00 C ATOM 350 O LEU A 24 -3.167 -13.135 1.084 1.00 0.00 O ATOM 351 CB LEU A 24 -3.004 -9.958 1.380 1.00 0.00 C ATOM 352 CG LEU A 24 -3.036 -8.537 0.815 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.337 -7.572 1.761 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.391 -8.498 -0.562 1.00 0.00 C ATOM 0 H LEU A 24 -5.413 -9.444 1.358 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.817 -11.059 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.160 -9.908 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.009 -10.374 1.221 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.076 -8.227 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.369 -6.566 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.841 -7.580 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.299 -7.878 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.422 -7.480 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.354 -8.826 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.934 -9.160 -1.237 1.00 0.00 H new ATOM 366 N GLU A 25 -4.767 -12.452 2.512 1.00 0.00 N ATOM 367 CA GLU A 25 -4.785 -13.703 3.262 1.00 0.00 C ATOM 368 C GLU A 25 -5.119 -14.884 2.354 1.00 0.00 C ATOM 369 O GLU A 25 -4.760 -16.025 2.646 1.00 0.00 O ATOM 370 CB GLU A 25 -5.798 -13.619 4.406 1.00 0.00 C ATOM 371 CG GLU A 25 -5.156 -13.519 5.781 1.00 0.00 C ATOM 372 CD GLU A 25 -5.228 -14.822 6.554 1.00 0.00 C ATOM 373 OE1 GLU A 25 -4.849 -15.870 5.989 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.664 -14.794 7.724 1.00 0.00 O ATOM 0 H GLU A 25 -5.423 -11.748 2.850 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.789 -13.862 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.439 -12.752 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.440 -14.499 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.113 -13.224 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.651 -12.734 6.353 1.00 0.00 H new ATOM 381 N ILE A 26 -5.808 -14.605 1.250 1.00 0.00 N ATOM 382 CA ILE A 26 -6.188 -15.648 0.304 1.00 0.00 C ATOM 383 C ILE A 26 -4.954 -16.364 -0.247 1.00 0.00 C ATOM 384 O ILE A 26 -4.042 -15.725 -0.772 1.00 0.00 O ATOM 385 CB ILE A 26 -7.003 -15.071 -0.871 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.217 -14.297 -0.351 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.446 -16.184 -1.811 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.780 -13.313 -1.352 1.00 0.00 C ATOM 0 H ILE A 26 -6.113 -13.667 0.990 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.807 -16.361 0.848 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.366 -14.383 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.997 -15.005 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.935 -13.760 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.020 -15.758 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.569 -16.696 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.067 -16.895 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.638 -12.801 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.015 -12.582 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.094 -13.846 -2.249 1.00 0.00 H new ATOM 400 N PRO A 27 -4.907 -17.705 -0.135 1.00 0.00 N ATOM 401 CA PRO A 27 -3.776 -18.496 -0.627 1.00 0.00 C ATOM 402 C PRO A 27 -3.784 -18.640 -2.146 1.00 0.00 C ATOM 403 O PRO A 27 -3.864 -19.749 -2.675 1.00 0.00 O ATOM 404 CB PRO A 27 -3.985 -19.854 0.041 1.00 0.00 C ATOM 405 CG PRO A 27 -5.459 -19.957 0.224 1.00 0.00 C ATOM 406 CD PRO A 27 -5.948 -18.554 0.477 1.00 0.00 C ATOM 0 HA PRO A 27 -2.818 -18.031 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.605 -20.665 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.462 -19.912 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.933 -20.381 -0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.703 -20.612 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.924 -18.382 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.053 -18.353 1.543 1.00 0.00 H new ATOM 414 N ASP A 28 -3.703 -17.511 -2.843 1.00 0.00 N ATOM 415 CA ASP A 28 -3.703 -17.513 -4.301 1.00 0.00 C ATOM 416 C ASP A 28 -2.336 -17.103 -4.847 1.00 0.00 C ATOM 417 O ASP A 28 -1.573 -16.409 -4.174 1.00 0.00 O ATOM 418 CB ASP A 28 -4.785 -16.569 -4.833 1.00 0.00 C ATOM 419 CG ASP A 28 -6.001 -17.315 -5.343 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.743 -17.880 -4.511 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.214 -17.334 -6.573 1.00 0.00 O ATOM 0 H ASP A 28 -3.637 -16.584 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.918 -18.527 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.088 -15.884 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.370 -15.962 -5.638 1.00 0.00 H new ATOM 426 N PRO A 29 -2.009 -17.528 -6.078 1.00 0.00 N ATOM 427 CA PRO A 29 -0.727 -17.202 -6.712 1.00 0.00 C ATOM 428 C PRO A 29 -0.627 -15.727 -7.089 1.00 0.00 C ATOM 429 O PRO A 29 0.454 -15.139 -7.054 1.00 0.00 O ATOM 430 CB PRO A 29 -0.717 -18.076 -7.968 1.00 0.00 C ATOM 431 CG PRO A 29 -2.156 -18.311 -8.277 1.00 0.00 C ATOM 432 CD PRO A 29 -2.861 -18.359 -6.949 1.00 0.00 C ATOM 0 HA PRO A 29 0.115 -17.384 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.211 -17.576 -8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.191 -19.015 -7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.556 -17.513 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.291 -19.244 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.874 -17.962 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.943 -19.379 -6.575 1.00 0.00 H new ATOM 440 N ASP A 30 -1.761 -15.136 -7.451 1.00 0.00 N ATOM 441 CA ASP A 30 -1.802 -13.730 -7.835 1.00 0.00 C ATOM 442 C ASP A 30 -2.763 -12.949 -6.944 1.00 0.00 C ATOM 443 O ASP A 30 -3.415 -12.008 -7.393 1.00 0.00 O ATOM 444 CB ASP A 30 -2.221 -13.591 -9.300 1.00 0.00 C ATOM 445 CG ASP A 30 -1.130 -14.032 -10.257 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.033 -13.624 -10.060 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.441 -14.785 -11.205 1.00 0.00 O ATOM 0 H ASP A 30 -2.664 -15.609 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.801 -13.317 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.118 -14.185 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.481 -12.552 -9.504 1.00 0.00 H new ATOM 452 N LYS A 31 -2.844 -13.348 -5.679 1.00 0.00 N ATOM 453 CA LYS A 31 -3.725 -12.686 -4.724 1.00 0.00 C ATOM 454 C LYS A 31 -3.284 -12.965 -3.291 1.00 0.00 C ATOM 455 O LYS A 31 -4.107 -13.032 -2.379 1.00 0.00 O ATOM 456 CB LYS A 31 -5.169 -13.150 -4.926 1.00 0.00 C ATOM 457 CG LYS A 31 -5.964 -12.269 -5.875 1.00 0.00 C ATOM 458 CD LYS A 31 -7.434 -12.224 -5.493 1.00 0.00 C ATOM 459 CE LYS A 31 -8.327 -12.141 -6.721 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.595 -12.900 -6.538 1.00 0.00 N ATOM 0 H LYS A 31 -2.310 -14.126 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.667 -11.612 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.164 -14.170 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.672 -13.175 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.553 -11.259 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.863 -12.645 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.688 -13.113 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.618 -11.364 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.556 -11.097 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.792 -12.532 -7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.176 -12.818 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.378 -13.901 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.119 -12.511 -5.728 1.00 0.00 H new ATOM 474 N ASN A 32 -1.978 -13.126 -3.100 1.00 0.00 N ATOM 475 CA ASN A 32 -1.426 -13.397 -1.778 1.00 0.00 C ATOM 476 C ASN A 32 -0.552 -12.239 -1.306 1.00 0.00 C ATOM 477 O ASN A 32 -0.105 -11.420 -2.108 1.00 0.00 O ATOM 478 CB ASN A 32 -0.612 -14.692 -1.797 1.00 0.00 C ATOM 479 CG ASN A 32 -0.081 -15.063 -0.426 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.077 -14.799 -0.103 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.930 -15.678 0.391 1.00 0.00 N ATOM 0 H ASN A 32 -1.283 -13.073 -3.844 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.256 -13.509 -1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.235 -15.503 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.223 -14.583 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.630 -15.951 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.881 -15.877 0.082 1.00 0.00 H new ATOM 488 N TRP A 33 -0.312 -12.179 -0.001 1.00 0.00 N ATOM 489 CA TRP A 33 0.509 -11.121 0.577 1.00 0.00 C ATOM 490 C TRP A 33 1.954 -11.232 0.103 1.00 0.00 C ATOM 491 O TRP A 33 2.611 -10.225 -0.160 1.00 0.00 O ATOM 492 CB TRP A 33 0.455 -11.183 2.104 1.00 0.00 C ATOM 493 CG TRP A 33 0.852 -12.516 2.660 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.025 -13.561 2.954 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.178 -12.947 2.989 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.755 -14.617 3.446 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.079 -14.264 3.477 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.439 -12.349 2.917 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.192 -14.991 3.891 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.543 -13.072 3.329 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.414 -14.380 3.810 1.00 0.00 C ATOM 0 H TRP A 33 -0.674 -12.850 0.677 1.00 0.00 H new ATOM 0 HA TRP A 33 0.110 -10.163 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.112 -10.416 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.557 -10.947 2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.047 -13.559 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.374 -15.516 3.740 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.549 -11.341 2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.095 -16.000 4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.522 -12.619 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.296 -14.918 4.124 1.00 0.00 H new ATOM 512 N ALA A 34 2.444 -12.463 -0.005 1.00 0.00 N ATOM 513 CA ALA A 34 3.811 -12.706 -0.447 1.00 0.00 C ATOM 514 C ALA A 34 4.046 -12.138 -1.843 1.00 0.00 C ATOM 515 O ALA A 34 5.078 -11.522 -2.107 1.00 0.00 O ATOM 516 CB ALA A 34 4.116 -14.196 -0.423 1.00 0.00 C ATOM 0 H ALA A 34 1.914 -13.308 0.208 1.00 0.00 H new ATOM 0 HA ALA A 34 4.485 -12.197 0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.140 -14.363 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.998 -14.575 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.429 -14.719 -1.088 1.00 0.00 H new ATOM 522 N THR A 35 3.082 -12.351 -2.732 1.00 0.00 N ATOM 523 CA THR A 35 3.185 -11.862 -4.102 1.00 0.00 C ATOM 524 C THR A 35 3.203 -10.336 -4.135 1.00 0.00 C ATOM 525 O THR A 35 3.904 -9.731 -4.945 1.00 0.00 O ATOM 526 CB THR A 35 2.020 -12.388 -4.941 1.00 0.00 C ATOM 527 OG1 THR A 35 1.675 -13.704 -4.551 1.00 0.00 O ATOM 528 CG2 THR A 35 2.316 -12.413 -6.426 1.00 0.00 C ATOM 0 H THR A 35 2.221 -12.859 -2.529 1.00 0.00 H new ATOM 0 HA THR A 35 4.122 -12.228 -4.523 1.00 0.00 H new ATOM 0 HB THR A 35 1.198 -11.695 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.287 -14.180 -5.315 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.449 -12.796 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.538 -11.403 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.174 -13.058 -6.615 1.00 0.00 H new ATOM 536 N LEU A 36 2.428 -9.721 -3.247 1.00 0.00 N ATOM 537 CA LEU A 36 2.355 -8.266 -3.175 1.00 0.00 C ATOM 538 C LEU A 36 3.646 -7.684 -2.607 1.00 0.00 C ATOM 539 O LEU A 36 4.048 -6.577 -2.962 1.00 0.00 O ATOM 540 CB LEU A 36 1.166 -7.836 -2.314 1.00 0.00 C ATOM 541 CG LEU A 36 1.014 -6.326 -2.125 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.681 -5.653 -3.448 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.056 -6.023 -1.088 1.00 0.00 C ATOM 0 H LEU A 36 1.842 -10.207 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 36 2.219 -7.883 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.252 -8.224 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.261 -8.302 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 36 1.963 -5.928 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.577 -4.579 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.482 -5.841 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.254 -6.056 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.150 -4.944 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.009 -6.436 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.223 -6.472 -0.135 1.00 0.00 H new ATOM 555 N ALA A 37 4.291 -8.440 -1.725 1.00 0.00 N ATOM 556 CA ALA A 37 5.537 -8.000 -1.109 1.00 0.00 C ATOM 557 C ALA A 37 6.626 -7.795 -2.156 1.00 0.00 C ATOM 558 O ALA A 37 7.463 -6.902 -2.030 1.00 0.00 O ATOM 559 CB ALA A 37 5.991 -9.006 -0.062 1.00 0.00 C ATOM 0 H ALA A 37 3.972 -9.360 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 37 5.354 -7.042 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.922 -8.665 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.226 -9.099 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.150 -9.976 -0.534 1.00 0.00 H new ATOM 565 N GLN A 38 6.607 -8.630 -3.191 1.00 0.00 N ATOM 566 CA GLN A 38 7.592 -8.541 -4.263 1.00 0.00 C ATOM 567 C GLN A 38 7.299 -7.354 -5.174 1.00 0.00 C ATOM 568 O GLN A 38 8.215 -6.674 -5.638 1.00 0.00 O ATOM 569 CB GLN A 38 7.606 -9.834 -5.079 1.00 0.00 C ATOM 570 CG GLN A 38 8.586 -10.873 -4.558 1.00 0.00 C ATOM 571 CD GLN A 38 8.580 -12.145 -5.382 1.00 0.00 C ATOM 572 OE1 GLN A 38 9.531 -12.433 -6.109 1.00 0.00 O ATOM 573 NE2 GLN A 38 7.504 -12.916 -5.273 1.00 0.00 N ATOM 0 H GLN A 38 5.921 -9.375 -3.310 1.00 0.00 H new ATOM 0 HA GLN A 38 8.573 -8.395 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.604 -10.262 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.856 -9.598 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.591 -10.451 -4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.339 -11.113 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.738 -12.639 -4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.443 -13.785 -5.804 1.00 0.00 H new ATOM 582 N LYS A 39 6.018 -7.110 -5.426 1.00 0.00 N ATOM 583 CA LYS A 39 5.604 -6.005 -6.282 1.00 0.00 C ATOM 584 C LYS A 39 5.958 -4.663 -5.649 1.00 0.00 C ATOM 585 O LYS A 39 6.528 -3.788 -6.302 1.00 0.00 O ATOM 586 CB LYS A 39 4.099 -6.076 -6.550 1.00 0.00 C ATOM 587 CG LYS A 39 3.742 -6.822 -7.825 1.00 0.00 C ATOM 588 CD LYS A 39 4.029 -8.310 -7.698 1.00 0.00 C ATOM 589 CE LYS A 39 4.449 -8.911 -9.030 1.00 0.00 C ATOM 590 NZ LYS A 39 5.896 -8.696 -9.306 1.00 0.00 N ATOM 0 H LYS A 39 5.248 -7.663 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 39 6.139 -6.091 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.611 -6.563 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.701 -5.063 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.687 -6.672 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.310 -6.411 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.817 -8.468 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.141 -8.823 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.235 -9.980 -9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.857 -8.468 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.141 -9.121 -10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.097 -7.676 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.462 -9.141 -8.556 1.00 0.00 H new ATOM 604 N LEU A 40 5.617 -4.508 -4.374 1.00 0.00 N ATOM 605 CA LEU A 40 5.898 -3.272 -3.653 1.00 0.00 C ATOM 606 C LEU A 40 7.401 -3.045 -3.528 1.00 0.00 C ATOM 607 O LEU A 40 7.951 -2.120 -4.126 1.00 0.00 O ATOM 608 CB LEU A 40 5.260 -3.312 -2.263 1.00 0.00 C ATOM 609 CG LEU A 40 3.738 -3.459 -2.253 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.234 -3.706 -0.839 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.080 -2.222 -2.847 1.00 0.00 C ATOM 0 H LEU A 40 5.146 -5.222 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 40 5.469 -2.445 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.694 -4.142 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.525 -2.398 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 40 3.471 -4.319 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.149 -3.808 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.680 -4.621 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.512 -2.866 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.997 -2.343 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.355 -1.346 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.416 -2.089 -3.875 1.00 0.00 H new ATOM 623 N GLY A 41 8.060 -3.895 -2.747 1.00 0.00 N ATOM 624 CA GLY A 41 9.493 -3.771 -2.557 1.00 0.00 C ATOM 625 C GLY A 41 9.943 -4.268 -1.198 1.00 0.00 C ATOM 626 O GLY A 41 10.746 -3.620 -0.526 1.00 0.00 O ATOM 0 H GLY A 41 7.627 -4.668 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.009 -4.333 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.783 -2.727 -2.673 1.00 0.00 H new ATOM 630 N LEU A 42 9.424 -5.422 -0.791 1.00 0.00 N ATOM 631 CA LEU A 42 9.776 -6.007 0.497 1.00 0.00 C ATOM 632 C LEU A 42 10.100 -7.490 0.351 1.00 0.00 C ATOM 633 O LEU A 42 9.871 -8.280 1.266 1.00 0.00 O ATOM 634 CB LEU A 42 8.631 -5.819 1.496 1.00 0.00 C ATOM 635 CG LEU A 42 8.093 -4.391 1.602 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.572 -4.389 1.616 1.00 0.00 C ATOM 637 CD2 LEU A 42 8.639 -3.707 2.848 1.00 0.00 C ATOM 0 H LEU A 42 8.758 -5.970 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 42 10.663 -5.495 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.811 -6.480 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.973 -6.136 2.481 1.00 0.00 H new ATOM 0 HG LEU A 42 8.427 -3.834 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.210 -3.364 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.199 -4.838 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.215 -4.964 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.246 -2.692 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.335 -4.266 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.727 -3.672 2.797 1.00 0.00 H new ATOM 649 N GLY A 43 10.634 -7.862 -0.809 1.00 0.00 N ATOM 650 CA GLY A 43 10.981 -9.249 -1.054 1.00 0.00 C ATOM 651 C GLY A 43 12.108 -9.734 -0.164 1.00 0.00 C ATOM 652 O GLY A 43 12.142 -10.900 0.226 1.00 0.00 O ATOM 0 H GLY A 43 10.832 -7.227 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.102 -9.873 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.270 -9.368 -2.098 1.00 0.00 H new ATOM 656 N ILE A 44 13.034 -8.835 0.158 1.00 0.00 N ATOM 657 CA ILE A 44 14.167 -9.177 1.008 1.00 0.00 C ATOM 658 C ILE A 44 13.706 -9.560 2.412 1.00 0.00 C ATOM 659 O ILE A 44 14.355 -10.354 3.094 1.00 0.00 O ATOM 660 CB ILE A 44 15.172 -8.011 1.101 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.406 -8.431 1.904 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.514 -6.786 1.726 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.325 -9.368 1.153 1.00 0.00 C ATOM 0 H ILE A 44 13.021 -7.865 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 44 14.662 -10.033 0.549 1.00 0.00 H new ATOM 0 HB ILE A 44 15.492 -7.749 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.964 -7.539 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.082 -8.914 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.238 -5.973 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.668 -6.475 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.165 -7.032 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.177 -9.624 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.783 -10.276 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.678 -8.880 0.244 1.00 0.00 H new ATOM 675 N LEU A 45 12.583 -8.992 2.837 1.00 0.00 N ATOM 676 CA LEU A 45 12.035 -9.275 4.159 1.00 0.00 C ATOM 677 C LEU A 45 10.718 -10.036 4.052 1.00 0.00 C ATOM 678 O LEU A 45 9.845 -9.908 4.910 1.00 0.00 O ATOM 679 CB LEU A 45 11.824 -7.975 4.935 1.00 0.00 C ATOM 680 CG LEU A 45 13.018 -7.020 4.939 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.548 -5.574 4.935 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.911 -7.290 6.141 1.00 0.00 C ATOM 0 H LEU A 45 12.034 -8.333 2.285 1.00 0.00 H new ATOM 0 HA LEU A 45 12.751 -9.898 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.964 -7.454 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.573 -8.223 5.966 1.00 0.00 H new ATOM 0 HG LEU A 45 13.599 -7.192 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.413 -4.910 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.951 -5.388 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.943 -5.386 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.756 -6.602 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.340 -7.147 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.278 -8.316 6.099 1.00 0.00 H new ATOM 694 N ASN A 46 10.581 -10.828 2.994 1.00 0.00 N ATOM 695 CA ASN A 46 9.369 -11.609 2.776 1.00 0.00 C ATOM 696 C ASN A 46 9.260 -12.741 3.793 1.00 0.00 C ATOM 697 O ASN A 46 8.174 -13.042 4.288 1.00 0.00 O ATOM 698 CB ASN A 46 9.351 -12.179 1.356 1.00 0.00 C ATOM 699 CG ASN A 46 7.977 -12.110 0.722 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.959 -12.224 1.404 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.940 -11.922 -0.592 1.00 0.00 N ATOM 0 H ASN A 46 11.294 -10.946 2.274 1.00 0.00 H new ATOM 0 HA ASN A 46 8.513 -10.946 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.061 -11.629 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.685 -13.216 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.043 -11.867 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.809 -11.833 -1.119 1.00 0.00 H new ATOM 708 N ASN A 47 10.393 -13.363 4.102 1.00 0.00 N ATOM 709 CA ASN A 47 10.425 -14.461 5.061 1.00 0.00 C ATOM 710 C ASN A 47 10.100 -13.966 6.467 1.00 0.00 C ATOM 711 O ASN A 47 9.524 -14.695 7.274 1.00 0.00 O ATOM 712 CB ASN A 47 11.798 -15.135 5.050 1.00 0.00 C ATOM 713 CG ASN A 47 11.929 -16.165 3.944 1.00 0.00 C ATOM 714 OD1 ASN A 47 11.427 -17.282 4.059 1.00 0.00 O ATOM 715 ND2 ASN A 47 12.606 -15.792 2.865 1.00 0.00 N ATOM 0 H ASN A 47 11.301 -13.125 3.702 1.00 0.00 H new ATOM 0 HA ASN A 47 9.668 -15.188 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.571 -14.376 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.971 -15.616 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.727 -16.442 2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.006 -14.855 2.812 1.00 0.00 H new ATOM 722 N ALA A 48 10.474 -12.723 6.753 1.00 0.00 N ATOM 723 CA ALA A 48 10.222 -12.131 8.060 1.00 0.00 C ATOM 724 C ALA A 48 8.726 -12.052 8.347 1.00 0.00 C ATOM 725 O ALA A 48 8.289 -12.263 9.479 1.00 0.00 O ATOM 726 CB ALA A 48 10.850 -10.748 8.144 1.00 0.00 C ATOM 0 H ALA A 48 10.953 -12.107 6.096 1.00 0.00 H new ATOM 0 HA ALA A 48 10.678 -12.771 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.653 -10.318 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.926 -10.827 7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.421 -10.106 7.375 1.00 0.00 H new ATOM 732 N PHE A 49 7.947 -11.749 7.315 1.00 0.00 N ATOM 733 CA PHE A 49 6.499 -11.642 7.456 1.00 0.00 C ATOM 734 C PHE A 49 5.865 -13.020 7.619 1.00 0.00 C ATOM 735 O PHE A 49 4.875 -13.179 8.331 1.00 0.00 O ATOM 736 CB PHE A 49 5.900 -10.931 6.241 1.00 0.00 C ATOM 737 CG PHE A 49 6.633 -9.679 5.856 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.908 -8.703 6.801 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.050 -9.478 4.550 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.583 -7.550 6.450 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.726 -8.326 4.193 1.00 0.00 C ATOM 742 CZ PHE A 49 7.992 -7.362 5.145 1.00 0.00 C ATOM 0 H PHE A 49 8.293 -11.573 6.372 1.00 0.00 H new ATOM 0 HA PHE A 49 6.287 -11.057 8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.899 -11.616 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.860 -10.683 6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.591 -8.846 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.845 -10.230 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.790 -6.797 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.045 -8.180 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.520 -6.461 4.869 1.00 0.00 H new ATOM 752 N ARG A 50 6.445 -14.014 6.953 1.00 0.00 N ATOM 753 CA ARG A 50 5.938 -15.380 7.024 1.00 0.00 C ATOM 754 C ARG A 50 5.965 -15.895 8.460 1.00 0.00 C ATOM 755 O ARG A 50 5.058 -16.608 8.891 1.00 0.00 O ATOM 756 CB ARG A 50 6.764 -16.300 6.124 1.00 0.00 C ATOM 757 CG ARG A 50 5.954 -17.427 5.502 1.00 0.00 C ATOM 758 CD ARG A 50 5.924 -17.327 3.984 1.00 0.00 C ATOM 759 NE ARG A 50 6.117 -18.627 3.346 1.00 0.00 N ATOM 760 CZ ARG A 50 5.792 -18.888 2.082 1.00 0.00 C ATOM 761 NH1 ARG A 50 5.258 -17.943 1.318 1.00 0.00 N ATOM 762 NH2 ARG A 50 6.002 -20.097 1.579 1.00 0.00 N ATOM 0 H ARG A 50 7.266 -13.899 6.359 1.00 0.00 H new ATOM 0 HA ARG A 50 4.905 -15.377 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.217 -15.707 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.580 -16.728 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.380 -18.386 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.935 -17.399 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.970 -16.906 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.702 -16.640 3.650 1.00 0.00 H new ATOM 0 HE ARG A 50 6.525 -19.379 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.095 -17.011 1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.011 -18.149 0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.413 -20.827 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.753 -20.297 0.610 1.00 0.00 H new ATOM 776 N LEU A 51 7.009 -15.529 9.195 1.00 0.00 N ATOM 777 CA LEU A 51 7.154 -15.955 10.582 1.00 0.00 C ATOM 778 C LEU A 51 6.149 -15.240 11.479 1.00 0.00 C ATOM 779 O LEU A 51 5.634 -15.817 12.436 1.00 0.00 O ATOM 780 CB LEU A 51 8.577 -15.683 11.075 1.00 0.00 C ATOM 781 CG LEU A 51 9.681 -16.401 10.295 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.042 -16.115 10.911 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.417 -17.898 10.254 1.00 0.00 C ATOM 0 H LEU A 51 7.767 -14.938 8.854 1.00 0.00 H new ATOM 0 HA LEU A 51 6.958 -17.026 10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.761 -14.610 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.644 -15.976 12.123 1.00 0.00 H new ATOM 0 HG LEU A 51 9.681 -16.024 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.815 -16.634 10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.234 -15.042 10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.055 -16.464 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.212 -18.392 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.389 -18.291 11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.460 -18.086 9.767 1.00 0.00 H new ATOM 795 N SER A 52 5.876 -13.978 11.163 1.00 0.00 N ATOM 796 CA SER A 52 4.933 -13.182 11.940 1.00 0.00 C ATOM 797 C SER A 52 3.546 -13.820 11.934 1.00 0.00 C ATOM 798 O SER A 52 3.238 -14.649 11.077 1.00 0.00 O ATOM 799 CB SER A 52 4.854 -11.760 11.383 1.00 0.00 C ATOM 800 OG SER A 52 5.838 -10.926 11.970 1.00 0.00 O ATOM 0 H SER A 52 6.295 -13.485 10.374 1.00 0.00 H new ATOM 0 HA SER A 52 5.291 -13.143 12.969 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.990 -11.782 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.863 -11.347 11.572 1.00 0.00 H new ATOM 0 HG SER A 52 5.455 -10.041 12.145 1.00 0.00 H new ATOM 806 N PRO A 53 2.687 -13.438 12.895 1.00 0.00 N ATOM 807 CA PRO A 53 1.326 -13.975 12.996 1.00 0.00 C ATOM 808 C PRO A 53 0.447 -13.546 11.827 1.00 0.00 C ATOM 809 O PRO A 53 -0.451 -14.278 11.410 1.00 0.00 O ATOM 810 CB PRO A 53 0.801 -13.382 14.307 1.00 0.00 C ATOM 811 CG PRO A 53 1.616 -12.154 14.523 1.00 0.00 C ATOM 812 CD PRO A 53 2.973 -12.454 13.954 1.00 0.00 C ATOM 0 HA PRO A 53 1.317 -15.065 12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.261 -13.145 14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.917 -14.084 15.133 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.166 -11.294 14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.682 -11.911 15.583 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.448 -11.559 13.553 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.645 -12.860 14.710 1.00 0.00 H new ATOM 820 N ALA A 54 0.711 -12.354 11.301 1.00 0.00 N ATOM 821 CA ALA A 54 -0.053 -11.826 10.178 1.00 0.00 C ATOM 822 C ALA A 54 0.867 -11.207 9.129 1.00 0.00 C ATOM 823 O ALA A 54 1.117 -10.002 9.146 1.00 0.00 O ATOM 824 CB ALA A 54 -1.066 -10.801 10.666 1.00 0.00 C ATOM 0 H ALA A 54 1.450 -11.735 11.636 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.586 -12.654 9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.630 -10.414 9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.750 -11.273 11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.545 -9.981 11.159 1.00 0.00 H new ATOM 830 N PRO A 55 1.384 -12.028 8.199 1.00 0.00 N ATOM 831 CA PRO A 55 2.282 -11.556 7.140 1.00 0.00 C ATOM 832 C PRO A 55 1.716 -10.354 6.390 1.00 0.00 C ATOM 833 O PRO A 55 2.461 -9.487 5.935 1.00 0.00 O ATOM 834 CB PRO A 55 2.395 -12.763 6.207 1.00 0.00 C ATOM 835 CG PRO A 55 2.135 -13.941 7.081 1.00 0.00 C ATOM 836 CD PRO A 55 1.137 -13.479 8.108 1.00 0.00 C ATOM 0 HA PRO A 55 3.238 -11.216 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.671 -12.705 5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.383 -12.819 5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.742 -14.777 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.054 -14.285 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.114 -13.693 7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.290 -13.973 9.067 1.00 0.00 H new ATOM 844 N SER A 56 0.393 -10.309 6.267 1.00 0.00 N ATOM 845 CA SER A 56 -0.271 -9.212 5.573 1.00 0.00 C ATOM 846 C SER A 56 -0.328 -7.967 6.452 1.00 0.00 C ATOM 847 O SER A 56 -0.295 -6.842 5.953 1.00 0.00 O ATOM 848 CB SER A 56 -1.686 -9.624 5.160 1.00 0.00 C ATOM 849 OG SER A 56 -2.208 -10.605 6.039 1.00 0.00 O ATOM 0 H SER A 56 -0.239 -11.018 6.638 1.00 0.00 H new ATOM 0 HA SER A 56 0.307 -8.978 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.337 -8.750 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.672 -10.013 4.142 1.00 0.00 H new ATOM 0 HG SER A 56 -3.113 -10.850 5.755 1.00 0.00 H new ATOM 855 N LYS A 57 -0.413 -8.177 7.761 1.00 0.00 N ATOM 856 CA LYS A 57 -0.472 -7.071 8.710 1.00 0.00 C ATOM 857 C LYS A 57 0.911 -6.465 8.927 1.00 0.00 C ATOM 858 O LYS A 57 1.049 -5.254 9.099 1.00 0.00 O ATOM 859 CB LYS A 57 -1.047 -7.549 10.045 1.00 0.00 C ATOM 860 CG LYS A 57 -1.922 -6.515 10.735 1.00 0.00 C ATOM 861 CD LYS A 57 -2.655 -7.112 11.926 1.00 0.00 C ATOM 862 CE LYS A 57 -2.722 -6.135 13.088 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.047 -5.461 13.172 1.00 0.00 N ATOM 0 H LYS A 57 -0.443 -9.102 8.189 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.124 -6.303 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.632 -8.453 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.226 -7.819 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.306 -5.679 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.645 -6.116 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.665 -7.394 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.150 -8.024 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.525 -6.665 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.939 -5.384 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.051 -4.803 13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.225 -4.934 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.792 -6.175 13.304 1.00 0.00 H new ATOM 877 N THR A 58 1.931 -7.316 8.916 1.00 0.00 N ATOM 878 CA THR A 58 3.305 -6.867 9.110 1.00 0.00 C ATOM 879 C THR A 58 3.854 -6.227 7.840 1.00 0.00 C ATOM 880 O THR A 58 4.696 -5.330 7.898 1.00 0.00 O ATOM 881 CB THR A 58 4.192 -8.039 9.529 1.00 0.00 C ATOM 882 OG1 THR A 58 3.517 -8.874 10.453 1.00 0.00 O ATOM 883 CG2 THR A 58 5.494 -7.607 10.167 1.00 0.00 C ATOM 0 H THR A 58 1.832 -8.321 8.775 1.00 0.00 H new ATOM 0 HA THR A 58 3.307 -6.118 9.902 1.00 0.00 H new ATOM 0 HB THR A 58 4.418 -8.573 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.814 -9.375 9.989 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.075 -8.488 10.440 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.062 -7.002 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.284 -7.019 11.061 1.00 0.00 H new ATOM 891 N LEU A 59 3.372 -6.692 6.692 1.00 0.00 N ATOM 892 CA LEU A 59 3.816 -6.165 5.407 1.00 0.00 C ATOM 893 C LEU A 59 3.537 -4.668 5.305 1.00 0.00 C ATOM 894 O LEU A 59 4.418 -3.885 4.950 1.00 0.00 O ATOM 895 CB LEU A 59 3.118 -6.903 4.261 1.00 0.00 C ATOM 896 CG LEU A 59 3.678 -6.613 2.868 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.063 -7.220 2.712 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.737 -7.142 1.796 1.00 0.00 C ATOM 0 H LEU A 59 2.674 -7.433 6.625 1.00 0.00 H new ATOM 0 HA LEU A 59 4.892 -6.322 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.184 -7.975 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.060 -6.642 4.272 1.00 0.00 H new ATOM 0 HG LEU A 59 3.763 -5.533 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.445 -7.003 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.733 -6.793 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.005 -8.299 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.151 -6.927 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.620 -8.219 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.765 -6.659 1.895 1.00 0.00 H new ATOM 910 N MET A 60 2.306 -4.278 5.619 1.00 0.00 N ATOM 911 CA MET A 60 1.912 -2.875 5.564 1.00 0.00 C ATOM 912 C MET A 60 2.655 -2.059 6.616 1.00 0.00 C ATOM 913 O MET A 60 2.928 -0.875 6.418 1.00 0.00 O ATOM 914 CB MET A 60 0.402 -2.740 5.769 1.00 0.00 C ATOM 915 CG MET A 60 -0.421 -3.577 4.804 1.00 0.00 C ATOM 916 SD MET A 60 -0.113 -3.152 3.079 1.00 0.00 S ATOM 917 CE MET A 60 -1.770 -2.754 2.527 1.00 0.00 C ATOM 0 H MET A 60 1.565 -4.913 5.914 1.00 0.00 H new ATOM 0 HA MET A 60 2.174 -2.488 4.579 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.155 -3.030 6.790 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.121 -1.693 5.659 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.195 -4.632 4.960 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.480 -3.442 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.716 -2.132 1.633 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.308 -3.674 2.297 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.296 -2.213 3.314 1.00 0.00 H new ATOM 927 N ASP A 61 2.980 -2.699 7.735 1.00 0.00 N ATOM 928 CA ASP A 61 3.692 -2.031 8.818 1.00 0.00 C ATOM 929 C ASP A 61 5.138 -1.747 8.424 1.00 0.00 C ATOM 930 O ASP A 61 5.730 -0.762 8.867 1.00 0.00 O ATOM 931 CB ASP A 61 3.651 -2.888 10.086 1.00 0.00 C ATOM 932 CG ASP A 61 2.736 -2.308 11.146 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.931 -1.132 11.521 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.823 -3.028 11.602 1.00 0.00 O ATOM 0 H ASP A 61 2.762 -3.679 7.915 1.00 0.00 H new ATOM 0 HA ASP A 61 3.197 -1.080 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.316 -3.893 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.659 -2.981 10.491 1.00 0.00 H new ATOM 939 N ASN A 62 5.702 -2.616 7.591 1.00 0.00 N ATOM 940 CA ASN A 62 7.079 -2.458 7.138 1.00 0.00 C ATOM 941 C ASN A 62 7.148 -1.554 5.912 1.00 0.00 C ATOM 942 O ASN A 62 8.098 -0.788 5.745 1.00 0.00 O ATOM 943 CB ASN A 62 7.691 -3.822 6.815 1.00 0.00 C ATOM 944 CG ASN A 62 8.283 -4.494 8.038 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.499 -4.651 8.146 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.424 -4.895 8.968 1.00 0.00 N ATOM 0 H ASN A 62 5.226 -3.437 7.216 1.00 0.00 H new ATOM 0 HA ASN A 62 7.649 -1.993 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.926 -4.468 6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.467 -3.699 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.765 -5.353 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.424 -4.744 8.837 1.00 0.00 H new ATOM 953 N TYR A 63 6.136 -1.647 5.055 1.00 0.00 N ATOM 954 CA TYR A 63 6.083 -0.838 3.844 1.00 0.00 C ATOM 955 C TYR A 63 5.879 0.636 4.181 1.00 0.00 C ATOM 956 O TYR A 63 6.385 1.518 3.488 1.00 0.00 O ATOM 957 CB TYR A 63 4.956 -1.324 2.930 1.00 0.00 C ATOM 958 CG TYR A 63 5.041 -0.778 1.521 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.218 -0.869 0.790 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.943 -0.172 0.925 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.299 -0.372 -0.497 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.015 0.328 -0.362 1.00 0.00 C ATOM 963 CZ TYR A 63 5.194 0.226 -1.068 1.00 0.00 C ATOM 964 OH TYR A 63 5.271 0.722 -2.349 1.00 0.00 O ATOM 0 H TYR A 63 5.342 -2.275 5.178 1.00 0.00 H new ATOM 0 HA TYR A 63 7.035 -0.945 3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.976 -2.413 2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.998 -1.038 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.084 -1.336 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.018 -0.090 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.222 -0.451 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.152 0.796 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 63 6.170 0.565 -2.707 1.00 0.00 H new ATOM 974 N GLU A 64 5.134 0.896 5.251 1.00 0.00 N ATOM 975 CA GLU A 64 4.863 2.262 5.679 1.00 0.00 C ATOM 976 C GLU A 64 6.135 2.937 6.184 1.00 0.00 C ATOM 977 O GLU A 64 6.385 4.107 5.896 1.00 0.00 O ATOM 978 CB GLU A 64 3.797 2.273 6.777 1.00 0.00 C ATOM 979 CG GLU A 64 3.234 3.655 7.066 1.00 0.00 C ATOM 980 CD GLU A 64 1.744 3.632 7.343 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.037 2.814 6.718 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.285 4.432 8.185 1.00 0.00 O ATOM 0 H GLU A 64 4.708 0.178 5.837 1.00 0.00 H new ATOM 0 HA GLU A 64 4.494 2.819 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.981 1.611 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.226 1.866 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.753 4.082 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.432 4.309 6.216 1.00 0.00 H new ATOM 989 N VAL A 65 6.936 2.189 6.937 1.00 0.00 N ATOM 990 CA VAL A 65 8.182 2.714 7.480 1.00 0.00 C ATOM 991 C VAL A 65 9.258 2.810 6.402 1.00 0.00 C ATOM 992 O VAL A 65 10.175 3.625 6.497 1.00 0.00 O ATOM 993 CB VAL A 65 8.706 1.839 8.634 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.901 2.497 9.306 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.599 1.569 9.644 1.00 0.00 C ATOM 0 H VAL A 65 6.744 1.218 7.184 1.00 0.00 H new ATOM 0 HA VAL A 65 7.963 3.712 7.860 1.00 0.00 H new ATOM 0 HB VAL A 65 9.032 0.884 8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.256 1.863 10.118 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.699 2.633 8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.605 3.467 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.987 0.949 10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.240 2.514 10.052 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.776 1.050 9.152 1.00 0.00 H new ATOM 1005 N SER A 66 9.140 1.972 5.376 1.00 0.00 N ATOM 1006 CA SER A 66 10.103 1.963 4.281 1.00 0.00 C ATOM 1007 C SER A 66 9.600 2.792 3.104 1.00 0.00 C ATOM 1008 O SER A 66 9.871 2.471 1.947 1.00 0.00 O ATOM 1009 CB SER A 66 10.380 0.528 3.829 1.00 0.00 C ATOM 1010 OG SER A 66 11.721 0.379 3.396 1.00 0.00 O ATOM 0 H SER A 66 8.387 1.291 5.281 1.00 0.00 H new ATOM 0 HA SER A 66 11.030 2.408 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.181 -0.160 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.701 0.261 3.019 1.00 0.00 H new ATOM 0 HG SER A 66 11.873 -0.547 3.114 1.00 0.00 H new ATOM 1016 N GLY A 67 8.867 3.859 3.406 1.00 0.00 N ATOM 1017 CA GLY A 67 8.340 4.716 2.360 1.00 0.00 C ATOM 1018 C GLY A 67 7.085 4.152 1.724 1.00 0.00 C ATOM 1019 O GLY A 67 7.078 3.821 0.538 1.00 0.00 O ATOM 0 H GLY A 67 8.629 4.145 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.122 5.700 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.101 4.856 1.592 1.00 0.00 H new ATOM 1023 N GLY A 68 6.022 4.041 2.513 1.00 0.00 N ATOM 1024 CA GLY A 68 4.770 3.515 2.001 1.00 0.00 C ATOM 1025 C GLY A 68 4.023 4.522 1.150 1.00 0.00 C ATOM 1026 O GLY A 68 3.780 5.649 1.579 1.00 0.00 O ATOM 0 H GLY A 68 6.005 4.306 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.970 2.621 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.139 3.210 2.836 1.00 0.00 H new ATOM 1030 N THR A 69 3.657 4.114 -0.061 1.00 0.00 N ATOM 1031 CA THR A 69 2.932 4.989 -0.975 1.00 0.00 C ATOM 1032 C THR A 69 1.693 4.292 -1.530 1.00 0.00 C ATOM 1033 O THR A 69 1.623 3.064 -1.563 1.00 0.00 O ATOM 1034 CB THR A 69 3.843 5.427 -2.124 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.605 4.333 -2.604 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.809 6.525 -1.737 1.00 0.00 C ATOM 0 H THR A 69 3.850 3.184 -0.432 1.00 0.00 H new ATOM 0 HA THR A 69 2.611 5.869 -0.418 1.00 0.00 H new ATOM 0 HB THR A 69 3.173 5.810 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.516 4.632 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.425 6.788 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.251 7.402 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.449 6.178 -0.926 1.00 0.00 H new ATOM 1044 N VAL A 70 0.718 5.085 -1.963 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.518 4.545 -2.515 1.00 0.00 C ATOM 1046 C VAL A 70 -0.373 4.251 -4.005 1.00 0.00 C ATOM 1047 O VAL A 70 -0.984 3.320 -4.526 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.696 5.514 -2.307 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.008 4.855 -2.706 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.748 5.991 -0.864 1.00 0.00 C ATOM 0 H VAL A 70 0.761 6.104 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.723 3.616 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.544 6.383 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.829 5.556 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.967 4.570 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.170 3.967 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.587 6.675 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.875 5.134 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.820 6.506 -0.617 1.00 0.00 H new ATOM 1060 N ARG A 71 0.442 5.053 -4.684 1.00 0.00 N ATOM 1061 CA ARG A 71 0.667 4.879 -6.114 1.00 0.00 C ATOM 1062 C ARG A 71 1.252 3.501 -6.409 1.00 0.00 C ATOM 1063 O ARG A 71 0.997 2.920 -7.464 1.00 0.00 O ATOM 1064 CB ARG A 71 1.604 5.970 -6.639 1.00 0.00 C ATOM 1065 CG ARG A 71 0.910 6.988 -7.532 1.00 0.00 C ATOM 1066 CD ARG A 71 1.268 6.787 -8.996 1.00 0.00 C ATOM 1067 NE ARG A 71 0.083 6.761 -9.850 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.128 6.777 -11.181 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.295 6.819 -11.812 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -0.997 6.750 -11.882 1.00 0.00 N ATOM 0 H ARG A 71 0.957 5.829 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.294 4.960 -6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.055 6.488 -5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.416 5.503 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.170 6.906 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.191 7.995 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.931 7.589 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.818 5.853 -9.110 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.832 6.729 -9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.163 6.839 -11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.323 6.831 -12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.896 6.717 -11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.963 6.762 -12.901 1.00 0.00 H new ATOM 1084 N GLU A 72 2.039 2.983 -5.470 1.00 0.00 N ATOM 1085 CA GLU A 72 2.659 1.674 -5.630 1.00 0.00 C ATOM 1086 C GLU A 72 1.673 0.560 -5.295 1.00 0.00 C ATOM 1087 O GLU A 72 1.712 -0.518 -5.889 1.00 0.00 O ATOM 1088 CB GLU A 72 3.896 1.560 -4.738 1.00 0.00 C ATOM 1089 CG GLU A 72 5.062 2.421 -5.201 1.00 0.00 C ATOM 1090 CD GLU A 72 6.293 1.604 -5.542 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.917 1.055 -4.611 1.00 0.00 O ATOM 1092 OE2 GLU A 72 6.632 1.514 -6.741 1.00 0.00 O ATOM 0 H GLU A 72 2.262 3.451 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 72 2.960 1.568 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.627 1.844 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.215 0.518 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.759 2.996 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.312 3.138 -4.419 1.00 0.00 H new ATOM 1099 N LEU A 73 0.788 0.828 -4.339 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.209 -0.152 -3.925 1.00 0.00 C ATOM 1101 C LEU A 73 -1.196 -0.435 -5.053 1.00 0.00 C ATOM 1102 O LEU A 73 -1.499 -1.590 -5.352 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.959 0.346 -2.688 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.456 -0.753 -1.747 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.283 -1.455 -1.081 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.396 -0.174 -0.702 1.00 0.00 C ATOM 0 H LEU A 73 0.742 1.715 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 73 0.309 -1.079 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.304 1.013 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.814 0.938 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.007 -1.487 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.655 -2.234 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.353 -1.904 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.295 -0.732 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.740 -0.970 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.870 0.581 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.253 0.283 -1.197 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.692 0.628 -5.678 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.644 0.494 -6.774 1.00 0.00 C ATOM 1120 C VAL A 74 -2.000 -0.180 -7.981 1.00 0.00 C ATOM 1121 O VAL A 74 -2.665 -0.884 -8.741 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.204 1.863 -7.203 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.331 1.690 -8.212 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.677 2.649 -5.989 1.00 0.00 C ATOM 0 H VAL A 74 -1.450 1.591 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.463 -0.126 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.405 2.428 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.713 2.669 -8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.954 1.172 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.134 1.106 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.070 3.614 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.461 2.091 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.840 2.806 -5.309 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.701 0.043 -8.152 1.00 0.00 N ATOM 1135 CA GLU A 75 0.034 -0.543 -9.267 1.00 0.00 C ATOM 1136 C GLU A 75 0.327 -2.018 -9.011 1.00 0.00 C ATOM 1137 O GLU A 75 0.147 -2.859 -9.893 1.00 0.00 O ATOM 1138 CB GLU A 75 1.343 0.216 -9.496 1.00 0.00 C ATOM 1139 CG GLU A 75 1.229 1.327 -10.527 1.00 0.00 C ATOM 1140 CD GLU A 75 2.546 1.616 -11.221 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.948 0.813 -12.090 1.00 0.00 O ATOM 1142 OE2 GLU A 75 3.175 2.644 -10.897 1.00 0.00 O ATOM 0 H GLU A 75 -0.136 0.625 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.586 -0.464 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.676 0.642 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.111 -0.488 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.483 1.051 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.872 2.235 -10.040 1.00 0.00 H new ATOM 1149 N ALA A 76 0.776 -2.326 -7.799 1.00 0.00 N ATOM 1150 CA ALA A 76 1.092 -3.699 -7.427 1.00 0.00 C ATOM 1151 C ALA A 76 -0.142 -4.590 -7.516 1.00 0.00 C ATOM 1152 O ALA A 76 -0.049 -5.764 -7.875 1.00 0.00 O ATOM 1153 CB ALA A 76 1.678 -3.744 -6.024 1.00 0.00 C ATOM 0 H ALA A 76 0.929 -1.642 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 76 1.833 -4.078 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.909 -4.776 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.590 -3.148 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.955 -3.341 -5.315 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.298 -4.023 -7.186 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.553 -4.765 -7.228 1.00 0.00 C ATOM 1161 C LEU A 77 -2.980 -5.030 -8.668 1.00 0.00 C ATOM 1162 O LEU A 77 -3.596 -6.053 -8.966 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.650 -3.995 -6.491 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.474 -3.911 -4.974 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.505 -2.969 -4.370 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.582 -5.294 -4.349 1.00 0.00 C ATOM 0 H LEU A 77 -1.392 -3.052 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.397 -5.723 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.695 -2.983 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.610 -4.466 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.481 -3.515 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.365 -2.921 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.382 -1.973 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.507 -3.337 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.454 -5.216 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.562 -5.717 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.807 -5.941 -4.760 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.649 -4.100 -9.559 1.00 0.00 N ATOM 1179 CA ARG A 78 -2.998 -4.232 -10.968 1.00 0.00 C ATOM 1180 C ARG A 78 -2.058 -5.205 -11.673 1.00 0.00 C ATOM 1181 O ARG A 78 -2.450 -5.890 -12.618 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.951 -2.867 -11.657 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.128 -2.613 -12.586 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.595 -1.169 -12.512 1.00 0.00 C ATOM 1185 NE ARG A 78 -5.080 -0.684 -13.801 1.00 0.00 N ATOM 1186 CZ ARG A 78 -4.283 -0.286 -14.791 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -2.964 -0.316 -14.644 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -4.807 0.141 -15.932 1.00 0.00 N ATOM 0 H ARG A 78 -2.139 -3.247 -9.329 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.012 -4.627 -11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.924 -2.086 -10.897 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.025 -2.789 -12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.842 -2.852 -13.610 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.951 -3.277 -12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.389 -1.082 -11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.772 -0.539 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.088 -0.648 -13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.556 -0.645 -13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.359 -0.010 -15.406 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.820 0.164 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.197 0.446 -16.691 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.813 -5.260 -11.207 1.00 0.00 N ATOM 1203 CA GLN A 79 0.183 -6.149 -11.794 1.00 0.00 C ATOM 1204 C GLN A 79 -0.101 -7.601 -11.427 1.00 0.00 C ATOM 1205 O GLN A 79 0.126 -8.510 -12.226 1.00 0.00 O ATOM 1206 CB GLN A 79 1.586 -5.757 -11.325 1.00 0.00 C ATOM 1207 CG GLN A 79 2.146 -4.535 -12.036 1.00 0.00 C ATOM 1208 CD GLN A 79 3.647 -4.612 -12.231 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.172 -5.619 -12.705 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.346 -3.545 -11.866 1.00 0.00 N ATOM 0 H GLN A 79 -0.471 -4.700 -10.426 1.00 0.00 H new ATOM 0 HA GLN A 79 0.129 -6.050 -12.878 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.561 -5.563 -10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.261 -6.599 -11.481 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.662 -4.430 -13.007 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.903 -3.641 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.869 -2.731 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.360 -3.538 -11.974 1.00 0.00 H new ATOM 1219 N MET A 80 -0.598 -7.814 -10.212 1.00 0.00 N ATOM 1220 CA MET A 80 -0.913 -9.156 -9.738 1.00 0.00 C ATOM 1221 C MET A 80 -2.267 -9.617 -10.269 1.00 0.00 C ATOM 1222 O MET A 80 -2.367 -10.649 -10.934 1.00 0.00 O ATOM 1223 CB MET A 80 -0.912 -9.193 -8.209 1.00 0.00 C ATOM 1224 CG MET A 80 0.448 -9.515 -7.610 1.00 0.00 C ATOM 1225 SD MET A 80 0.521 -9.180 -5.839 1.00 0.00 S ATOM 1226 CE MET A 80 -0.786 -10.247 -5.239 1.00 0.00 C ATOM 0 H MET A 80 -0.791 -7.073 -9.538 1.00 0.00 H new ATOM 0 HA MET A 80 -0.146 -9.835 -10.111 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.247 -8.228 -7.830 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.634 -9.936 -7.871 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.680 -10.565 -7.788 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.213 -8.929 -8.119 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.718 -10.332 -4.154 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.754 -9.825 -5.510 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.683 -11.235 -5.687 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.307 -8.846 -9.971 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.642 -9.192 -10.425 1.00 0.00 C ATOM 1238 C GLY A 81 -5.702 -8.914 -9.378 1.00 0.00 C ATOM 1239 O GLY A 81 -6.582 -9.741 -9.140 1.00 0.00 O ATOM 0 H GLY A 81 -3.250 -7.987 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.872 -8.628 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.669 -10.248 -10.693 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.617 -7.746 -8.750 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.575 -7.360 -7.721 1.00 0.00 C ATOM 1245 C TYR A 82 -7.548 -6.309 -8.250 1.00 0.00 C ATOM 1246 O TYR A 82 -7.135 -5.300 -8.821 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.845 -6.822 -6.489 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.626 -7.861 -5.413 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.702 -8.448 -4.759 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.344 -8.255 -5.050 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.507 -9.398 -3.774 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.141 -9.204 -4.066 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.225 -9.773 -3.432 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.027 -10.718 -2.452 1.00 0.00 O ATOM 0 H TYR A 82 -4.894 -7.050 -8.936 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.143 -8.246 -7.439 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.879 -6.420 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.417 -5.993 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.708 -8.157 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.492 -7.812 -5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.354 -9.844 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.138 -9.498 -3.795 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.208 -11.610 -2.816 1.00 0.00 H new ATOM 1264 N THR A 83 -8.839 -6.553 -8.055 1.00 0.00 N ATOM 1265 CA THR A 83 -9.870 -5.629 -8.511 1.00 0.00 C ATOM 1266 C THR A 83 -10.650 -5.058 -7.331 1.00 0.00 C ATOM 1267 O THR A 83 -10.996 -3.877 -7.317 1.00 0.00 O ATOM 1268 CB THR A 83 -10.826 -6.334 -9.475 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.148 -7.339 -10.208 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.472 -5.394 -10.471 1.00 0.00 C ATOM 0 H THR A 83 -9.197 -7.384 -7.584 1.00 0.00 H new ATOM 0 HA THR A 83 -9.380 -4.806 -9.032 1.00 0.00 H new ATOM 0 HB THR A 83 -11.606 -6.763 -8.847 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.776 -7.779 -10.818 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.138 -5.958 -11.125 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.044 -4.636 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.699 -4.911 -11.069 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.921 -5.903 -6.342 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.659 -5.481 -5.158 1.00 0.00 C ATOM 1280 C GLU A 84 -10.758 -4.702 -4.204 1.00 0.00 C ATOM 1281 O GLU A 84 -11.215 -3.802 -3.500 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.253 -6.696 -4.441 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.649 -6.454 -3.890 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.533 -7.683 -3.984 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -14.806 -8.133 -5.117 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.952 -8.196 -2.925 1.00 0.00 O ATOM 0 H GLU A 84 -10.641 -6.884 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.469 -4.826 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.286 -7.537 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.593 -6.983 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.576 -6.142 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.114 -5.633 -4.436 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.477 -5.054 -4.188 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.512 -4.388 -3.322 1.00 0.00 C ATOM 1295 C ALA A 85 -8.273 -2.950 -3.772 1.00 0.00 C ATOM 1296 O ALA A 85 -8.098 -2.052 -2.948 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.202 -5.162 -3.297 1.00 0.00 C ATOM 0 H ALA A 85 -9.083 -5.797 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.923 -4.361 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.491 -4.653 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.382 -6.169 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.794 -5.219 -4.306 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.267 -2.739 -5.084 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.049 -1.411 -5.643 1.00 0.00 C ATOM 1305 C ILE A 86 -9.252 -0.506 -5.395 1.00 0.00 C ATOM 1306 O ILE A 86 -9.107 0.704 -5.225 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.773 -1.475 -7.158 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.682 -2.505 -7.458 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.373 -0.105 -7.683 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.379 -2.654 -8.933 1.00 0.00 C ATOM 0 H ILE A 86 -8.411 -3.471 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.175 -0.997 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.687 -1.784 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.770 -2.218 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.987 -3.472 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.182 -0.168 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.180 0.605 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.471 0.231 -7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.597 -3.400 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.279 -2.971 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.043 -1.698 -9.334 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.440 -1.103 -5.377 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.669 -0.351 -5.150 1.00 0.00 C ATOM 1324 C GLU A 87 -11.699 0.231 -3.741 1.00 0.00 C ATOM 1325 O GLU A 87 -12.128 1.367 -3.537 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.888 -1.249 -5.368 1.00 0.00 C ATOM 1327 CG GLU A 87 -12.894 -1.951 -6.717 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.019 -1.479 -7.617 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.148 -1.993 -7.474 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -13.772 -0.596 -8.465 1.00 0.00 O ATOM 0 H GLU A 87 -10.577 -2.104 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.699 0.472 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.922 -1.999 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.793 -0.648 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.940 -1.780 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.985 -3.026 -6.562 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.240 -0.554 -2.771 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.214 -0.116 -1.381 1.00 0.00 C ATOM 1339 C VAL A 88 -10.338 1.121 -1.210 1.00 0.00 C ATOM 1340 O VAL A 88 -10.649 2.009 -0.417 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.697 -1.228 -0.450 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.901 -0.844 1.008 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.384 -2.550 -0.763 1.00 0.00 C ATOM 0 H VAL A 88 -10.881 -1.497 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.241 0.128 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.628 -1.351 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.529 -1.643 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.357 0.076 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.963 -0.690 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.006 -3.324 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.460 -2.443 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.179 -2.831 -1.796 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.242 1.171 -1.959 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.319 2.299 -1.891 1.00 0.00 C ATOM 1355 C ILE A 89 -8.853 3.491 -2.679 1.00 0.00 C ATOM 1356 O ILE A 89 -8.784 4.631 -2.220 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.927 1.921 -2.431 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.427 0.635 -1.767 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -5.942 3.057 -2.200 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.717 -0.300 -2.721 1.00 0.00 C ATOM 0 H ILE A 89 -8.971 0.444 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.228 2.572 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.008 1.746 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.749 0.895 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.274 0.113 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.963 2.774 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.291 3.952 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.865 3.260 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.390 -1.190 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.398 -0.590 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.850 0.205 -3.148 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.385 3.219 -3.865 1.00 0.00 N ATOM 1373 CA GLN A 90 -9.932 4.269 -4.716 1.00 0.00 C ATOM 1374 C GLN A 90 -11.168 4.895 -4.081 1.00 0.00 C ATOM 1375 O GLN A 90 -11.443 6.080 -4.270 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.281 3.707 -6.096 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.104 3.675 -7.056 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.495 3.197 -8.442 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.674 3.176 -8.794 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.503 2.812 -9.236 1.00 0.00 N ATOM 0 H GLN A 90 -9.449 2.280 -4.259 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.173 5.043 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.671 2.696 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.079 4.308 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.672 4.673 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.330 3.021 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.540 2.846 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.704 2.482 -10.180 1.00 0.00 H new ATOM 1389 N ALA A 91 -11.911 4.091 -3.328 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.119 4.565 -2.666 1.00 0.00 C ATOM 1391 C ALA A 91 -12.785 5.570 -1.569 1.00 0.00 C ATOM 1392 O ALA A 91 -13.519 6.534 -1.351 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.899 3.393 -2.089 1.00 0.00 C ATOM 0 H ALA A 91 -11.697 3.108 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.737 5.069 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.799 3.762 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.178 2.711 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.280 2.866 -1.364 1.00 0.00 H new ATOM 1399 N ALA A 92 -11.673 5.338 -0.880 1.00 0.00 N ATOM 1400 CA ALA A 92 -11.241 6.224 0.195 1.00 0.00 C ATOM 1401 C ALA A 92 -10.361 7.348 -0.340 1.00 0.00 C ATOM 1402 O ALA A 92 -10.442 8.486 0.123 1.00 0.00 O ATOM 1403 CB ALA A 92 -10.499 5.433 1.263 1.00 0.00 C ATOM 0 H ALA A 92 -11.055 4.544 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.128 6.674 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.182 6.106 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.159 4.669 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.624 4.957 0.821 1.00 0.00 H new ATOM 1409 N SER A 93 -9.521 7.022 -1.317 1.00 0.00 N ATOM 1410 CA SER A 93 -8.625 8.006 -1.915 1.00 0.00 C ATOM 1411 C SER A 93 -8.735 7.988 -3.436 1.00 0.00 C ATOM 1412 O SER A 93 -8.391 6.996 -4.081 1.00 0.00 O ATOM 1413 CB SER A 93 -7.181 7.734 -1.492 1.00 0.00 C ATOM 1414 OG SER A 93 -6.685 6.554 -2.099 1.00 0.00 O ATOM 0 H SER A 93 -9.442 6.085 -1.711 1.00 0.00 H new ATOM 0 HA SER A 93 -8.920 8.993 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.552 8.581 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.128 7.638 -0.407 1.00 0.00 H new ATOM 0 HG SER A 93 -7.245 6.322 -2.869 1.00 0.00 H new ATOM 1420 N SER A 94 -9.215 9.089 -4.003 1.00 0.00 N ATOM 1421 CA SER A 94 -9.368 9.199 -5.449 1.00 0.00 C ATOM 1422 C SER A 94 -8.023 9.455 -6.121 1.00 0.00 C ATOM 1423 O SER A 94 -7.726 10.576 -6.533 1.00 0.00 O ATOM 1424 CB SER A 94 -10.347 10.324 -5.793 1.00 0.00 C ATOM 1425 OG SER A 94 -10.204 11.416 -4.901 1.00 0.00 O ATOM 0 H SER A 94 -9.505 9.918 -3.484 1.00 0.00 H new ATOM 0 HA SER A 94 -9.764 8.254 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.174 10.661 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.369 9.947 -5.750 1.00 0.00 H new ATOM 0 HG SER A 94 -10.839 12.122 -5.143 1.00 0.00 H new ATOM 1431 N SER A 95 -7.213 8.407 -6.228 1.00 0.00 N ATOM 1432 CA SER A 95 -5.898 8.517 -6.850 1.00 0.00 C ATOM 1433 C SER A 95 -5.028 9.526 -6.108 1.00 0.00 C ATOM 1434 O SER A 95 -5.127 10.732 -6.334 1.00 0.00 O ATOM 1435 CB SER A 95 -6.039 8.928 -8.317 1.00 0.00 C ATOM 1436 OG SER A 95 -5.078 8.271 -9.125 1.00 0.00 O ATOM 0 H SER A 95 -7.444 7.472 -5.892 1.00 0.00 H new ATOM 0 HA SER A 95 -5.415 7.541 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.042 8.688 -8.671 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.919 10.007 -8.409 1.00 0.00 H new ATOM 0 HG SER A 95 -5.190 8.549 -10.058 1.00 0.00 H new ATOM 1442 N GLY A 96 -4.173 9.024 -5.222 1.00 0.00 N ATOM 1443 CA GLY A 96 -3.297 9.896 -4.461 1.00 0.00 C ATOM 1444 C GLY A 96 -4.064 10.896 -3.615 1.00 0.00 C ATOM 1445 O GLY A 96 -5.206 10.641 -3.235 1.00 0.00 O ATOM 0 H GLY A 96 -4.071 8.030 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.660 9.292 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.640 10.432 -5.145 1.00 0.00 H new ATOM 1449 N PRO A 97 -3.457 12.054 -3.304 1.00 0.00 N ATOM 1450 CA PRO A 97 -4.103 13.091 -2.493 1.00 0.00 C ATOM 1451 C PRO A 97 -5.243 13.780 -3.235 1.00 0.00 C ATOM 1452 O PRO A 97 -5.021 14.472 -4.229 1.00 0.00 O ATOM 1453 CB PRO A 97 -2.971 14.082 -2.214 1.00 0.00 C ATOM 1454 CG PRO A 97 -2.019 13.897 -3.344 1.00 0.00 C ATOM 1455 CD PRO A 97 -2.095 12.442 -3.715 1.00 0.00 C ATOM 0 HA PRO A 97 -4.558 12.679 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.342 15.106 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.493 13.878 -1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.289 14.530 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.006 14.172 -3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.940 12.291 -4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.337 11.855 -3.197 1.00 0.00 H new ATOM 1463 N SER A 98 -6.464 13.586 -2.746 1.00 0.00 N ATOM 1464 CA SER A 98 -7.639 14.189 -3.365 1.00 0.00 C ATOM 1465 C SER A 98 -8.827 14.165 -2.409 1.00 0.00 C ATOM 1466 O SER A 98 -8.950 13.267 -1.576 1.00 0.00 O ATOM 1467 CB SER A 98 -7.994 13.454 -4.657 1.00 0.00 C ATOM 1468 OG SER A 98 -7.369 14.058 -5.777 1.00 0.00 O ATOM 0 H SER A 98 -6.665 13.017 -1.924 1.00 0.00 H new ATOM 0 HA SER A 98 -7.404 15.227 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.685 12.411 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.075 13.457 -4.795 1.00 0.00 H new ATOM 0 HG SER A 98 -6.461 14.335 -5.535 1.00 0.00 H new ATOM 1474 N SER A 99 -9.702 15.158 -2.537 1.00 0.00 N ATOM 1475 CA SER A 99 -10.882 15.251 -1.684 1.00 0.00 C ATOM 1476 C SER A 99 -11.942 16.145 -2.320 1.00 0.00 C ATOM 1477 O SER A 99 -12.081 17.313 -1.960 1.00 0.00 O ATOM 1478 CB SER A 99 -10.500 15.795 -0.307 1.00 0.00 C ATOM 1479 OG SER A 99 -10.203 14.741 0.594 1.00 0.00 O ATOM 0 H SER A 99 -9.616 15.909 -3.222 1.00 0.00 H new ATOM 0 HA SER A 99 -11.297 14.250 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.636 16.453 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.318 16.397 0.089 1.00 0.00 H new ATOM 0 HG SER A 99 -9.722 14.031 0.120 1.00 0.00 H new ATOM 1485 N GLY A 100 -12.690 15.585 -3.267 1.00 0.00 N ATOM 1486 CA GLY A 100 -13.728 16.346 -3.937 1.00 0.00 C ATOM 1487 C GLY A 100 -14.978 16.492 -3.091 1.00 0.00 C ATOM 1488 O GLY A 100 -14.900 17.134 -2.023 1.00 0.00 O ATOM 1489 OXT GLY A 100 -16.034 15.965 -3.498 1.00 0.00 O ATOM 0 H GLY A 100 -12.595 14.619 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.345 17.335 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.984 15.856 -4.877 1.00 0.00 H new TER 1493 GLY A 100