USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 580 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 18 HIS : no HD1:sc= 0 X(o=1.2,f=0.94) USER MOD Set 1.2: A 22 THR OG1 : rot -52:sc= 1.22 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -77:sc= 1.16 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.02 X(o=2.2,f=2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.16 X(o=0.16,f=0.084) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 39 SER OG : rot 11:sc= 1.1 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.474) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.192 K(o=0.19,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.092 3.149 -16.701 1.00 0.00 N ATOM 2 CA MET A 1 -4.563 3.553 -15.352 1.00 0.00 C ATOM 3 C MET A 1 -5.450 2.435 -14.724 1.00 0.00 C ATOM 4 O MET A 1 -6.571 2.179 -15.173 1.00 0.00 O ATOM 5 CB MET A 1 -5.305 4.911 -15.405 1.00 0.00 C ATOM 6 CG MET A 1 -4.391 6.121 -15.652 1.00 0.00 C ATOM 7 SD MET A 1 -5.380 7.625 -15.629 1.00 0.00 S ATOM 8 CE MET A 1 -4.079 8.826 -15.949 1.00 0.00 C ATOM 0 H1 MET A 1 -3.503 3.905 -17.104 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.531 2.276 -16.626 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.911 2.982 -17.319 1.00 0.00 H new ATOM 0 HA MET A 1 -3.693 3.686 -14.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.056 4.871 -16.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.837 5.058 -14.465 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.617 6.169 -14.886 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.884 6.019 -16.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.507 9.828 -15.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.329 8.769 -15.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.612 8.609 -16.910 1.00 0.00 H new ATOM 19 N LYS A 2 -4.951 1.780 -13.669 1.00 0.00 N ATOM 20 CA LYS A 2 -5.612 0.592 -13.079 1.00 0.00 C ATOM 21 C LYS A 2 -6.661 0.967 -11.978 1.00 0.00 C ATOM 22 O LYS A 2 -6.314 1.355 -10.857 1.00 0.00 O ATOM 23 CB LYS A 2 -4.532 -0.358 -12.495 1.00 0.00 C ATOM 24 CG LYS A 2 -3.517 -0.968 -13.481 1.00 0.00 C ATOM 25 CD LYS A 2 -4.142 -1.821 -14.596 1.00 0.00 C ATOM 26 CE LYS A 2 -3.073 -2.555 -15.412 1.00 0.00 C ATOM 27 NZ LYS A 2 -3.721 -3.305 -16.506 1.00 0.00 N ATOM 0 H LYS A 2 -4.087 2.049 -13.198 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.163 0.091 -13.875 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.976 0.191 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.042 -1.177 -11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.943 -0.161 -13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.812 -1.584 -12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.828 -2.546 -14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.730 -1.183 -15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.357 -1.841 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.514 -3.236 -14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.997 -3.804 -17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.388 -3.996 -16.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.236 -2.644 -17.123 1.00 0.00 H new ATOM 40 N ALA A 3 -7.949 0.798 -12.299 1.00 0.00 N ATOM 41 CA ALA A 3 -9.039 0.824 -11.291 1.00 0.00 C ATOM 42 C ALA A 3 -9.104 -0.519 -10.492 1.00 0.00 C ATOM 43 O ALA A 3 -9.335 -1.588 -11.064 1.00 0.00 O ATOM 44 CB ALA A 3 -10.338 1.110 -12.057 1.00 0.00 C ATOM 0 H ALA A 3 -8.273 0.640 -13.253 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.867 1.598 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.174 1.139 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.256 2.071 -12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.508 0.323 -12.792 1.00 0.00 H new ATOM 50 N LEU A 4 -8.820 -0.453 -9.190 1.00 0.00 N ATOM 51 CA LEU A 4 -8.481 -1.648 -8.361 1.00 0.00 C ATOM 52 C LEU A 4 -9.350 -1.782 -7.077 1.00 0.00 C ATOM 53 O LEU A 4 -9.973 -0.827 -6.604 1.00 0.00 O ATOM 54 CB LEU A 4 -6.941 -1.708 -8.177 1.00 0.00 C ATOM 55 CG LEU A 4 -6.187 -0.485 -7.618 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.136 -0.464 -6.094 1.00 0.00 C ATOM 57 CD2 LEU A 4 -4.751 -0.462 -8.170 1.00 0.00 C ATOM 0 H LEU A 4 -8.814 0.422 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.761 -2.561 -8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.725 -2.551 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.506 -1.941 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.739 0.398 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.593 0.420 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.151 -0.438 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.628 -1.359 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.222 0.404 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.232 -1.373 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.780 -0.401 -9.258 1.00 0.00 H new ATOM 69 N THR A 5 -9.463 -3.016 -6.552 1.00 0.00 N ATOM 70 CA THR A 5 -10.569 -3.392 -5.615 1.00 0.00 C ATOM 71 C THR A 5 -10.552 -2.664 -4.223 1.00 0.00 C ATOM 72 O THR A 5 -9.503 -2.252 -3.730 1.00 0.00 O ATOM 73 CB THR A 5 -10.692 -4.943 -5.420 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.610 -5.500 -4.683 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.827 -5.760 -6.701 1.00 0.00 C ATOM 0 H THR A 5 -8.812 -3.775 -6.752 1.00 0.00 H new ATOM 0 HA THR A 5 -11.460 -3.027 -6.126 1.00 0.00 H new ATOM 0 HB THR A 5 -11.627 -5.020 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.822 -5.570 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.905 -6.818 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.722 -5.447 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.951 -5.599 -7.329 1.00 0.00 H new ATOM 83 N ALA A 6 -11.730 -2.502 -3.600 1.00 0.00 N ATOM 84 CA ALA A 6 -11.922 -1.579 -2.447 1.00 0.00 C ATOM 85 C ALA A 6 -10.963 -1.643 -1.214 1.00 0.00 C ATOM 86 O ALA A 6 -10.605 -0.581 -0.696 1.00 0.00 O ATOM 87 CB ALA A 6 -13.393 -1.732 -2.021 1.00 0.00 C ATOM 0 H ALA A 6 -12.578 -3.000 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.646 -0.594 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.597 -1.076 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.043 -1.462 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.583 -2.766 -1.733 1.00 0.00 H new ATOM 93 N ARG A 7 -10.551 -2.830 -0.738 1.00 0.00 N ATOM 94 CA ARG A 7 -9.545 -2.937 0.364 1.00 0.00 C ATOM 95 C ARG A 7 -8.051 -2.736 -0.062 1.00 0.00 C ATOM 96 O ARG A 7 -7.326 -2.044 0.656 1.00 0.00 O ATOM 97 CB ARG A 7 -9.810 -4.230 1.165 1.00 0.00 C ATOM 98 CG ARG A 7 -9.243 -4.235 2.603 1.00 0.00 C ATOM 99 CD ARG A 7 -9.981 -3.298 3.573 1.00 0.00 C ATOM 100 NE ARG A 7 -9.368 -3.422 4.914 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.547 -2.579 5.922 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.316 -1.532 5.895 1.00 0.00 N ATOM 103 NH2 ARG A 7 -8.911 -2.813 7.014 1.00 0.00 N ATOM 0 H ARG A 7 -10.887 -3.728 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.692 -2.080 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.886 -4.395 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.383 -5.072 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.284 -5.251 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.192 -3.949 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.919 -2.268 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.039 -3.557 3.616 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.757 -4.222 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.841 -1.306 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.395 -0.936 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.296 -3.624 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.022 -2.188 7.813 1.00 0.00 H new ATOM 116 N GLN A 8 -7.600 -3.246 -1.224 1.00 0.00 N ATOM 117 CA GLN A 8 -6.324 -2.778 -1.851 1.00 0.00 C ATOM 118 C GLN A 8 -6.251 -1.256 -2.250 1.00 0.00 C ATOM 119 O GLN A 8 -5.191 -0.651 -2.091 1.00 0.00 O ATOM 120 CB GLN A 8 -5.864 -3.727 -2.990 1.00 0.00 C ATOM 121 CG GLN A 8 -6.762 -3.769 -4.232 1.00 0.00 C ATOM 122 CD GLN A 8 -6.367 -4.685 -5.374 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.159 -5.502 -5.834 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.194 -4.551 -5.937 1.00 0.00 N ATOM 0 H GLN A 8 -8.084 -3.973 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.597 -2.838 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.862 -3.431 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.788 -4.737 -2.587 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.763 -4.053 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.830 -2.755 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.525 -3.876 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.949 -5.121 -6.746 1.00 0.00 H new ATOM 133 N GLN A 9 -7.357 -0.638 -2.692 1.00 0.00 N ATOM 134 CA GLN A 9 -7.472 0.842 -2.834 1.00 0.00 C ATOM 135 C GLN A 9 -7.386 1.652 -1.492 1.00 0.00 C ATOM 136 O GLN A 9 -6.707 2.678 -1.457 1.00 0.00 O ATOM 137 CB GLN A 9 -8.776 1.125 -3.617 1.00 0.00 C ATOM 138 CG GLN A 9 -8.927 2.548 -4.199 1.00 0.00 C ATOM 139 CD GLN A 9 -7.984 2.897 -5.344 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.054 2.341 -6.433 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.091 3.836 -5.161 1.00 0.00 N ATOM 0 H GLN A 9 -8.202 -1.140 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.599 1.202 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.845 0.410 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.621 0.934 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.953 2.671 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.774 3.268 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.023 4.306 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.463 4.098 -5.921 1.00 0.00 H new ATOM 150 N GLU A 10 -8.016 1.195 -0.397 1.00 0.00 N ATOM 151 CA GLU A 10 -7.747 1.718 0.980 1.00 0.00 C ATOM 152 C GLU A 10 -6.248 1.611 1.460 1.00 0.00 C ATOM 153 O GLU A 10 -5.686 2.612 1.907 1.00 0.00 O ATOM 154 CB GLU A 10 -8.698 0.997 1.972 1.00 0.00 C ATOM 155 CG GLU A 10 -10.171 1.449 1.882 1.00 0.00 C ATOM 156 CD GLU A 10 -11.123 0.515 2.611 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.393 0.613 3.802 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.628 -0.446 1.786 1.00 0.00 O ATOM 0 H GLU A 10 -8.722 0.460 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.939 2.791 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.648 -0.077 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.340 1.165 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.264 2.452 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.463 1.511 0.834 1.00 0.00 H new ATOM 166 N VAL A 11 -5.610 0.442 1.291 1.00 0.00 N ATOM 167 CA VAL A 11 -4.119 0.273 1.404 1.00 0.00 C ATOM 168 C VAL A 11 -3.286 1.272 0.523 1.00 0.00 C ATOM 169 O VAL A 11 -2.385 1.930 1.049 1.00 0.00 O ATOM 170 CB VAL A 11 -3.798 -1.240 1.145 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.317 -1.596 0.920 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.285 -2.141 2.308 1.00 0.00 C ATOM 0 H VAL A 11 -6.099 -0.426 1.071 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.798 0.545 2.409 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.334 -1.424 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.222 -2.669 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.942 -1.058 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.737 -1.314 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.043 -3.181 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.791 -1.841 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.364 -2.036 2.422 1.00 0.00 H new ATOM 182 N PHE A 12 -3.611 1.412 -0.772 1.00 0.00 N ATOM 183 CA PHE A 12 -2.987 2.427 -1.661 1.00 0.00 C ATOM 184 C PHE A 12 -3.198 3.933 -1.278 1.00 0.00 C ATOM 185 O PHE A 12 -2.250 4.715 -1.351 1.00 0.00 O ATOM 186 CB PHE A 12 -3.454 2.129 -3.106 1.00 0.00 C ATOM 187 CG PHE A 12 -2.630 2.771 -4.241 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.225 2.929 -4.191 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.296 3.149 -5.410 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.528 3.470 -5.269 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.595 3.683 -6.490 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.214 3.846 -6.415 1.00 0.00 C ATOM 0 H PHE A 12 -4.309 0.832 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.908 2.320 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.450 1.049 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.488 2.460 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.686 2.626 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.367 3.026 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.543 3.596 -5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.124 3.971 -7.387 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.675 4.266 -7.251 1.00 0.00 H new ATOM 202 N ASP A 13 -4.405 4.322 -0.851 1.00 0.00 N ATOM 203 CA ASP A 13 -4.679 5.687 -0.335 1.00 0.00 C ATOM 204 C ASP A 13 -3.871 6.110 0.945 1.00 0.00 C ATOM 205 O ASP A 13 -3.410 7.249 0.975 1.00 0.00 O ATOM 206 CB ASP A 13 -6.203 5.852 -0.125 1.00 0.00 C ATOM 207 CG ASP A 13 -6.972 6.199 -1.393 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.309 7.343 -1.674 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.243 5.110 -2.168 1.00 0.00 O ATOM 0 H ASP A 13 -5.221 3.710 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.316 6.375 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.604 4.927 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.374 6.633 0.616 1.00 0.00 H new ATOM 215 N LEU A 14 -3.667 5.246 1.955 1.00 0.00 N ATOM 216 CA LEU A 14 -2.818 5.595 3.143 1.00 0.00 C ATOM 217 C LEU A 14 -1.289 5.758 2.839 1.00 0.00 C ATOM 218 O LEU A 14 -0.711 6.767 3.253 1.00 0.00 O ATOM 219 CB LEU A 14 -3.139 4.590 4.279 1.00 0.00 C ATOM 220 CG LEU A 14 -2.871 5.097 5.718 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.670 4.246 6.722 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.401 5.046 6.143 1.00 0.00 C ATOM 0 H LEU A 14 -4.066 4.308 1.987 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.081 6.601 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.189 4.306 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.552 3.686 4.116 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.178 6.143 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.481 4.604 7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.734 4.327 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.361 3.204 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.304 5.419 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.045 4.017 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.807 5.666 5.472 1.00 0.00 H new ATOM 234 N ILE A 15 -0.651 4.834 2.090 1.00 0.00 N ATOM 235 CA ILE A 15 0.727 5.065 1.525 1.00 0.00 C ATOM 236 C ILE A 15 0.901 6.387 0.689 1.00 0.00 C ATOM 237 O ILE A 15 1.847 7.132 0.953 1.00 0.00 O ATOM 238 CB ILE A 15 1.268 3.766 0.834 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.794 3.803 0.539 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.532 3.369 -0.458 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.648 3.348 1.719 1.00 0.00 C ATOM 0 H ILE A 15 -1.050 3.925 1.855 1.00 0.00 H new ATOM 0 HA ILE A 15 1.380 5.267 2.374 1.00 0.00 H new ATOM 0 HB ILE A 15 1.065 3.005 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.006 3.167 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.079 4.818 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.975 2.460 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.521 3.192 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.620 4.173 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.702 3.398 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.463 3.998 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.389 2.322 1.981 1.00 0.00 H new ATOM 253 N ARG A 16 -0.019 6.695 -0.241 1.00 0.00 N ATOM 254 CA ARG A 16 -0.050 7.995 -0.969 1.00 0.00 C ATOM 255 C ARG A 16 -0.285 9.278 -0.083 1.00 0.00 C ATOM 256 O ARG A 16 0.457 10.250 -0.219 1.00 0.00 O ATOM 257 CB ARG A 16 -1.141 7.935 -2.070 1.00 0.00 C ATOM 258 CG ARG A 16 -0.846 6.991 -3.254 1.00 0.00 C ATOM 259 CD ARG A 16 -2.045 6.894 -4.211 1.00 0.00 C ATOM 260 NE ARG A 16 -2.184 8.091 -5.073 1.00 0.00 N ATOM 261 CZ ARG A 16 -1.648 8.256 -6.270 1.00 0.00 C ATOM 262 NH1 ARG A 16 -0.930 7.364 -6.884 1.00 0.00 N ATOM 263 NH2 ARG A 16 -1.835 9.383 -6.864 1.00 0.00 N ATOM 0 H ARG A 16 -0.766 6.057 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 16 0.953 8.112 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.080 7.627 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.293 8.941 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.027 7.351 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.599 5.999 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.934 6.010 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.958 6.760 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.746 8.860 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.747 6.463 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.549 7.564 -7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.382 10.114 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.436 9.545 -7.789 1.00 0.00 H new ATOM 276 N ASP A 17 -1.300 9.278 0.793 1.00 0.00 N ATOM 277 CA ASP A 17 -1.633 10.438 1.668 1.00 0.00 C ATOM 278 C ASP A 17 -0.522 10.890 2.677 1.00 0.00 C ATOM 279 O ASP A 17 -0.290 12.093 2.817 1.00 0.00 O ATOM 280 CB ASP A 17 -2.954 10.043 2.374 1.00 0.00 C ATOM 281 CG ASP A 17 -3.662 11.146 3.130 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.696 11.204 4.354 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.253 12.050 2.297 1.00 0.00 O ATOM 0 H ASP A 17 -1.920 8.479 0.924 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.728 11.332 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.639 9.648 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.741 9.232 3.070 1.00 0.00 H new ATOM 289 N HIS A 18 0.133 9.951 3.367 1.00 0.00 N ATOM 290 CA HIS A 18 1.242 10.266 4.304 1.00 0.00 C ATOM 291 C HIS A 18 2.591 10.692 3.624 1.00 0.00 C ATOM 292 O HIS A 18 3.180 11.674 4.079 1.00 0.00 O ATOM 293 CB HIS A 18 1.391 9.034 5.212 1.00 0.00 C ATOM 294 CG HIS A 18 2.167 9.277 6.511 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.525 9.037 6.612 1.00 0.00 N ATOM 296 CD2 HIS A 18 1.660 9.739 7.745 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.736 9.415 7.907 1.00 0.00 C ATOM 298 NE2 HIS A 18 2.677 9.815 8.673 1.00 0.00 N ATOM 0 H HIS A 18 -0.080 8.956 3.300 1.00 0.00 H new ATOM 0 HA HIS A 18 0.989 11.160 4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.397 8.665 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.891 8.245 4.650 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.628 9.995 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.733 9.398 8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.647 10.092 9.654 1.00 0.00 H new ATOM 306 N ILE A 19 3.058 10.023 2.551 1.00 0.00 N ATOM 307 CA ILE A 19 4.217 10.508 1.726 1.00 0.00 C ATOM 308 C ILE A 19 4.010 11.915 1.065 1.00 0.00 C ATOM 309 O ILE A 19 4.893 12.767 1.169 1.00 0.00 O ATOM 310 CB ILE A 19 4.639 9.352 0.756 1.00 0.00 C ATOM 311 CG1 ILE A 19 6.157 9.302 0.479 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.832 9.198 -0.540 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.783 10.397 -0.373 1.00 0.00 C ATOM 0 H ILE A 19 2.660 9.143 2.223 1.00 0.00 H new ATOM 0 HA ILE A 19 5.061 10.725 2.381 1.00 0.00 H new ATOM 0 HB ILE A 19 4.366 8.475 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.668 9.300 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.374 8.347 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.228 8.363 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.786 9.008 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.908 10.113 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.853 10.215 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.323 10.397 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.622 11.365 0.102 1.00 0.00 H new ATOM 325 N SER A 20 2.834 12.188 0.472 1.00 0.00 N ATOM 326 CA SER A 20 2.463 13.544 -0.014 1.00 0.00 C ATOM 327 C SER A 20 2.408 14.721 1.029 1.00 0.00 C ATOM 328 O SER A 20 2.624 15.867 0.631 1.00 0.00 O ATOM 329 CB SER A 20 1.081 13.420 -0.711 1.00 0.00 C ATOM 330 OG SER A 20 0.748 14.616 -1.417 1.00 0.00 O ATOM 0 H SER A 20 2.113 11.484 0.313 1.00 0.00 H new ATOM 0 HA SER A 20 3.282 13.839 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.094 12.578 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.313 13.209 0.033 1.00 0.00 H new ATOM 0 HG SER A 20 -0.126 14.509 -1.847 1.00 0.00 H new ATOM 336 N GLN A 21 2.075 14.452 2.297 1.00 0.00 N ATOM 337 CA GLN A 21 2.082 15.475 3.378 1.00 0.00 C ATOM 338 C GLN A 21 3.423 15.540 4.201 1.00 0.00 C ATOM 339 O GLN A 21 3.921 16.638 4.448 1.00 0.00 O ATOM 340 CB GLN A 21 0.885 15.209 4.335 1.00 0.00 C ATOM 341 CG GLN A 21 -0.502 15.477 3.709 1.00 0.00 C ATOM 342 CD GLN A 21 -1.665 15.121 4.620 1.00 0.00 C ATOM 343 OE1 GLN A 21 -2.283 15.965 5.257 1.00 0.00 O ATOM 344 NE2 GLN A 21 -2.016 13.865 4.702 1.00 0.00 N ATOM 0 H GLN A 21 1.792 13.525 2.614 1.00 0.00 H new ATOM 0 HA GLN A 21 1.990 16.445 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.926 14.172 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.998 15.834 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.572 16.531 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.589 14.907 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.505 13.157 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.801 13.592 5.294 1.00 0.00 H new ATOM 353 N THR A 22 3.957 14.397 4.650 1.00 0.00 N ATOM 354 CA THR A 22 5.176 14.339 5.502 1.00 0.00 C ATOM 355 C THR A 22 6.552 14.152 4.760 1.00 0.00 C ATOM 356 O THR A 22 7.582 14.510 5.336 1.00 0.00 O ATOM 357 CB THR A 22 5.068 13.212 6.596 1.00 0.00 C ATOM 358 OG1 THR A 22 5.086 11.901 6.036 1.00 0.00 O ATOM 359 CG2 THR A 22 3.850 13.300 7.509 1.00 0.00 C ATOM 0 H THR A 22 3.564 13.480 4.439 1.00 0.00 H new ATOM 0 HA THR A 22 5.193 15.337 5.940 1.00 0.00 H new ATOM 0 HB THR A 22 5.956 13.393 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.411 11.838 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.872 12.478 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.865 14.249 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.941 13.236 6.911 1.00 0.00 H new ATOM 367 N GLY A 23 6.586 13.541 3.565 1.00 0.00 N ATOM 368 CA GLY A 23 7.850 13.088 2.931 1.00 0.00 C ATOM 369 C GLY A 23 8.219 11.593 3.063 1.00 0.00 C ATOM 370 O GLY A 23 8.807 11.042 2.132 1.00 0.00 O ATOM 0 H GLY A 23 5.752 13.345 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.799 13.329 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.667 13.674 3.352 1.00 0.00 H new ATOM 374 N MET A 24 7.939 10.957 4.206 1.00 0.00 N ATOM 375 CA MET A 24 8.311 9.542 4.464 1.00 0.00 C ATOM 376 C MET A 24 7.201 8.493 4.111 1.00 0.00 C ATOM 377 O MET A 24 6.025 8.769 4.373 1.00 0.00 O ATOM 378 CB MET A 24 8.828 9.411 5.921 1.00 0.00 C ATOM 379 CG MET A 24 7.812 9.587 7.058 1.00 0.00 C ATOM 380 SD MET A 24 8.690 9.502 8.629 1.00 0.00 S ATOM 381 CE MET A 24 7.297 9.647 9.757 1.00 0.00 C ATOM 0 H MET A 24 7.449 11.399 4.984 1.00 0.00 H new ATOM 0 HA MET A 24 9.113 9.287 3.771 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.283 8.426 6.028 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.620 10.146 6.063 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.299 10.544 6.962 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.049 8.810 7.008 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.657 9.613 10.785 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.785 10.593 9.583 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.604 8.823 9.588 1.00 0.00 H new ATOM 391 N PRO A 25 7.495 7.285 3.549 1.00 0.00 N ATOM 392 CA PRO A 25 6.437 6.268 3.256 1.00 0.00 C ATOM 393 C PRO A 25 5.995 5.418 4.491 1.00 0.00 C ATOM 394 O PRO A 25 6.867 4.881 5.182 1.00 0.00 O ATOM 395 CB PRO A 25 7.128 5.411 2.157 1.00 0.00 C ATOM 396 CG PRO A 25 8.634 5.475 2.491 1.00 0.00 C ATOM 397 CD PRO A 25 8.833 6.895 3.046 1.00 0.00 C ATOM 0 HA PRO A 25 5.493 6.719 2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.764 4.384 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.927 5.808 1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.913 4.718 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.247 5.303 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.577 6.910 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.181 7.579 2.272 1.00 0.00 H new ATOM 405 N PRO A 26 4.684 5.212 4.786 1.00 0.00 N ATOM 406 CA PRO A 26 4.239 4.258 5.853 1.00 0.00 C ATOM 407 C PRO A 26 4.721 2.790 5.771 1.00 0.00 C ATOM 408 O PRO A 26 4.820 2.190 4.696 1.00 0.00 O ATOM 409 CB PRO A 26 2.692 4.321 5.704 1.00 0.00 C ATOM 410 CG PRO A 26 2.432 5.781 5.321 1.00 0.00 C ATOM 411 CD PRO A 26 3.611 6.157 4.404 1.00 0.00 C ATOM 0 HA PRO A 26 4.668 4.560 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.334 3.634 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.188 4.053 6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.478 5.892 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.395 6.422 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.346 6.054 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.919 7.192 4.555 1.00 0.00 H new ATOM 419 N THR A 27 4.958 2.196 6.945 1.00 0.00 N ATOM 420 CA THR A 27 5.249 0.741 7.053 1.00 0.00 C ATOM 421 C THR A 27 3.967 -0.136 6.855 1.00 0.00 C ATOM 422 O THR A 27 2.858 0.256 7.221 1.00 0.00 O ATOM 423 CB THR A 27 5.937 0.369 8.411 1.00 0.00 C ATOM 424 OG1 THR A 27 5.135 0.704 9.538 1.00 0.00 O ATOM 425 CG2 THR A 27 7.304 1.003 8.637 1.00 0.00 C ATOM 0 H THR A 27 4.957 2.689 7.838 1.00 0.00 H new ATOM 0 HA THR A 27 5.946 0.522 6.244 1.00 0.00 H new ATOM 0 HB THR A 27 6.065 -0.710 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.605 0.452 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.697 0.685 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.986 0.689 7.846 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.208 2.089 8.624 1.00 0.00 H new ATOM 433 N ARG A 28 4.127 -1.356 6.337 1.00 0.00 N ATOM 434 CA ARG A 28 3.000 -2.335 6.235 1.00 0.00 C ATOM 435 C ARG A 28 2.265 -2.765 7.553 1.00 0.00 C ATOM 436 O ARG A 28 1.069 -3.054 7.503 1.00 0.00 O ATOM 437 CB ARG A 28 3.462 -3.482 5.317 1.00 0.00 C ATOM 438 CG ARG A 28 4.514 -4.451 5.869 1.00 0.00 C ATOM 439 CD ARG A 28 5.336 -5.100 4.745 1.00 0.00 C ATOM 440 NE ARG A 28 6.194 -6.137 5.356 1.00 0.00 N ATOM 441 CZ ARG A 28 7.384 -6.521 4.917 1.00 0.00 C ATOM 442 NH1 ARG A 28 7.961 -6.067 3.844 1.00 0.00 N ATOM 443 NH2 ARG A 28 8.018 -7.399 5.614 1.00 0.00 N ATOM 0 H ARG A 28 5.016 -1.705 5.978 1.00 0.00 H new ATOM 0 HA ARG A 28 2.157 -1.810 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.583 -4.063 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.858 -3.042 4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.181 -3.917 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.022 -5.228 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.678 -5.541 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.944 -4.352 4.235 1.00 0.00 H new ATOM 0 HE ARG A 28 5.837 -6.599 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.494 -5.363 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.881 -6.415 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.601 -7.771 6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.937 -7.723 5.313 1.00 0.00 H new ATOM 456 N ALA A 29 2.937 -2.722 8.717 1.00 0.00 N ATOM 457 CA ALA A 29 2.257 -2.714 10.041 1.00 0.00 C ATOM 458 C ALA A 29 1.493 -1.395 10.436 1.00 0.00 C ATOM 459 O ALA A 29 0.389 -1.488 10.970 1.00 0.00 O ATOM 460 CB ALA A 29 3.325 -3.083 11.082 1.00 0.00 C ATOM 0 H ALA A 29 3.955 -2.692 8.776 1.00 0.00 H new ATOM 0 HA ALA A 29 1.443 -3.437 9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.877 -3.092 12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.727 -4.071 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.130 -2.349 11.053 1.00 0.00 H new ATOM 466 N GLU A 30 2.041 -0.198 10.160 1.00 0.00 N ATOM 467 CA GLU A 30 1.270 1.092 10.223 1.00 0.00 C ATOM 468 C GLU A 30 -0.008 1.142 9.316 1.00 0.00 C ATOM 469 O GLU A 30 -1.089 1.452 9.816 1.00 0.00 O ATOM 470 CB GLU A 30 2.303 2.202 9.911 1.00 0.00 C ATOM 471 CG GLU A 30 1.817 3.661 9.988 1.00 0.00 C ATOM 472 CD GLU A 30 2.841 4.674 9.480 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.048 4.462 9.389 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.257 5.847 9.111 1.00 0.00 O ATOM 0 H GLU A 30 3.017 -0.080 9.889 1.00 0.00 H new ATOM 0 HA GLU A 30 0.831 1.223 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.139 2.088 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.692 2.029 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.900 3.761 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.566 3.898 11.022 1.00 0.00 H new ATOM 482 N ILE A 31 0.102 0.782 8.028 1.00 0.00 N ATOM 483 CA ILE A 31 -1.076 0.568 7.125 1.00 0.00 C ATOM 484 C ILE A 31 -2.121 -0.478 7.686 1.00 0.00 C ATOM 485 O ILE A 31 -3.318 -0.185 7.675 1.00 0.00 O ATOM 486 CB ILE A 31 -0.595 0.217 5.665 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.299 1.334 5.043 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.792 -0.009 4.704 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.156 0.861 3.868 1.00 0.00 C ATOM 0 H ILE A 31 1.000 0.628 7.569 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.622 1.510 7.086 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.014 -0.699 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.339 2.152 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.952 1.736 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.419 -0.249 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.402 -0.834 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.397 0.897 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.748 1.695 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.821 0.064 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.510 0.487 3.074 1.00 0.00 H new ATOM 501 N ALA A 32 -1.673 -1.639 8.196 1.00 0.00 N ATOM 502 CA ALA A 32 -2.544 -2.586 8.929 1.00 0.00 C ATOM 503 C ALA A 32 -3.333 -2.026 10.159 1.00 0.00 C ATOM 504 O ALA A 32 -4.559 -2.150 10.201 1.00 0.00 O ATOM 505 CB ALA A 32 -1.685 -3.802 9.312 1.00 0.00 C ATOM 0 H ALA A 32 -0.705 -1.949 8.115 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.354 -2.846 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.296 -4.523 9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.291 -4.268 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.858 -3.479 9.944 1.00 0.00 H new ATOM 511 N GLN A 33 -2.649 -1.418 11.137 1.00 0.00 N ATOM 512 CA GLN A 33 -3.300 -0.928 12.378 1.00 0.00 C ATOM 513 C GLN A 33 -4.165 0.375 12.238 1.00 0.00 C ATOM 514 O GLN A 33 -5.208 0.455 12.889 1.00 0.00 O ATOM 515 CB GLN A 33 -2.259 -0.770 13.516 1.00 0.00 C ATOM 516 CG GLN A 33 -1.438 -2.017 13.915 1.00 0.00 C ATOM 517 CD GLN A 33 -2.167 -3.326 14.158 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.010 -4.300 13.431 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.976 -3.421 15.182 1.00 0.00 N ATOM 0 H GLN A 33 -1.644 -1.249 11.101 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.023 -1.706 12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.559 0.013 13.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.783 -0.415 14.403 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.700 -2.191 13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.887 -1.773 14.823 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.117 -2.619 15.796 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.465 -4.297 15.366 1.00 0.00 H new ATOM 528 N ARG A 34 -3.767 1.360 11.417 1.00 0.00 N ATOM 529 CA ARG A 34 -4.604 2.563 11.144 1.00 0.00 C ATOM 530 C ARG A 34 -5.889 2.314 10.263 1.00 0.00 C ATOM 531 O ARG A 34 -6.916 2.934 10.543 1.00 0.00 O ATOM 532 CB ARG A 34 -3.738 3.699 10.542 1.00 0.00 C ATOM 533 CG ARG A 34 -2.858 4.482 11.539 1.00 0.00 C ATOM 534 CD ARG A 34 -1.519 3.816 11.860 1.00 0.00 C ATOM 535 NE ARG A 34 -0.744 4.624 12.831 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.812 4.522 14.149 1.00 0.00 C ATOM 537 NH1 ARG A 34 -1.597 3.701 14.785 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.049 5.295 14.843 1.00 0.00 N ATOM 0 H ARG A 34 -2.873 1.357 10.926 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.994 2.859 12.118 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.091 3.269 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.399 4.405 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.667 5.476 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.414 4.617 12.467 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.692 2.820 12.267 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.942 3.690 10.944 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.102 5.319 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.215 3.079 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.594 3.679 15.805 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.574 5.952 14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.069 5.250 15.862 1.00 0.00 H new ATOM 551 N LEU A 35 -5.857 1.428 9.254 1.00 0.00 N ATOM 552 CA LEU A 35 -7.097 0.976 8.551 1.00 0.00 C ATOM 553 C LEU A 35 -8.015 -0.071 9.306 1.00 0.00 C ATOM 554 O LEU A 35 -9.135 -0.314 8.849 1.00 0.00 O ATOM 555 CB LEU A 35 -6.699 0.378 7.170 1.00 0.00 C ATOM 556 CG LEU A 35 -6.122 1.366 6.137 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.565 0.584 4.941 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.160 2.375 5.635 1.00 0.00 C ATOM 0 H LEU A 35 -4.999 1.006 8.899 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.709 1.875 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.964 -0.409 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.580 -0.095 6.736 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.334 1.929 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.156 1.281 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.777 -0.088 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.365 0.003 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.696 3.044 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.985 1.843 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.538 2.957 6.476 1.00 0.00 H new ATOM 570 N GLY A 36 -7.556 -0.689 10.404 1.00 0.00 N ATOM 571 CA GLY A 36 -8.338 -1.704 11.149 1.00 0.00 C ATOM 572 C GLY A 36 -8.357 -3.128 10.567 1.00 0.00 C ATOM 573 O GLY A 36 -9.434 -3.694 10.369 1.00 0.00 O ATOM 0 H GLY A 36 -6.636 -0.505 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.946 -1.757 12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.367 -1.353 11.223 1.00 0.00 H new ATOM 577 N PHE A 37 -7.179 -3.712 10.328 1.00 0.00 N ATOM 578 CA PHE A 37 -7.063 -5.062 9.731 1.00 0.00 C ATOM 579 C PHE A 37 -7.189 -6.225 10.767 1.00 0.00 C ATOM 580 O PHE A 37 -6.686 -6.167 11.891 1.00 0.00 O ATOM 581 CB PHE A 37 -5.699 -5.163 8.981 1.00 0.00 C ATOM 582 CG PHE A 37 -5.806 -4.865 7.482 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.141 -5.902 6.605 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.588 -3.581 6.957 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.239 -5.673 5.234 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.667 -3.355 5.582 1.00 0.00 C ATOM 587 CZ PHE A 37 -5.986 -4.404 4.722 1.00 0.00 C ATOM 0 H PHE A 37 -6.282 -3.274 10.538 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.901 -5.182 9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.992 -4.467 9.433 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.291 -6.165 9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.326 -6.892 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.357 -2.762 7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.511 -6.480 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.481 -2.368 5.185 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.037 -4.232 3.657 1.00 0.00 H new ATOM 597 N ARG A 38 -7.778 -7.328 10.301 1.00 0.00 N ATOM 598 CA ARG A 38 -7.881 -8.603 11.061 1.00 0.00 C ATOM 599 C ARG A 38 -6.503 -9.268 11.449 1.00 0.00 C ATOM 600 O ARG A 38 -6.370 -9.810 12.547 1.00 0.00 O ATOM 601 CB ARG A 38 -8.726 -9.586 10.206 1.00 0.00 C ATOM 602 CG ARG A 38 -10.239 -9.323 10.058 1.00 0.00 C ATOM 603 CD ARG A 38 -10.712 -7.996 9.449 1.00 0.00 C ATOM 604 NE ARG A 38 -10.163 -7.759 8.090 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.172 -6.596 7.453 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.642 -5.489 7.941 1.00 0.00 N ATOM 607 NH2 ARG A 38 -9.665 -6.556 6.269 1.00 0.00 N ATOM 0 H ARG A 38 -8.206 -7.375 9.376 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.348 -8.371 12.018 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.295 -9.609 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.603 -10.583 10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.654 -10.128 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.685 -9.407 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.801 -7.991 9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.417 -7.176 10.103 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.745 -8.555 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.041 -5.474 8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.612 -4.634 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.275 -7.401 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.654 -5.679 5.748 1.00 0.00 H new ATOM 620 N SER A 39 -5.504 -9.230 10.556 1.00 0.00 N ATOM 621 CA SER A 39 -4.084 -9.499 10.904 1.00 0.00 C ATOM 622 C SER A 39 -3.115 -8.744 9.916 1.00 0.00 C ATOM 623 O SER A 39 -3.430 -8.688 8.720 1.00 0.00 O ATOM 624 CB SER A 39 -3.802 -11.019 10.881 1.00 0.00 C ATOM 625 OG SER A 39 -4.462 -11.673 11.966 1.00 0.00 O ATOM 0 H SER A 39 -5.648 -9.013 9.570 1.00 0.00 H new ATOM 0 HA SER A 39 -3.902 -9.127 11.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.140 -11.442 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.728 -11.195 10.943 1.00 0.00 H new ATOM 0 HG SER A 39 -5.095 -11.053 12.385 1.00 0.00 H new ATOM 631 N PRO A 40 -1.929 -8.203 10.318 1.00 0.00 N ATOM 632 CA PRO A 40 -0.942 -7.576 9.362 1.00 0.00 C ATOM 633 C PRO A 40 -0.515 -8.303 8.062 1.00 0.00 C ATOM 634 O PRO A 40 -0.252 -7.634 7.060 1.00 0.00 O ATOM 635 CB PRO A 40 0.264 -7.258 10.286 1.00 0.00 C ATOM 636 CG PRO A 40 -0.391 -6.985 11.657 1.00 0.00 C ATOM 637 CD PRO A 40 -1.534 -8.014 11.733 1.00 0.00 C ATOM 0 HA PRO A 40 -1.437 -6.733 8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.963 -8.093 10.335 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.825 -6.394 9.930 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.320 -7.117 12.473 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.767 -5.964 11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.202 -8.949 12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.365 -7.646 12.335 1.00 0.00 H new ATOM 645 N ASN A 41 -0.487 -9.643 8.047 1.00 0.00 N ATOM 646 CA ASN A 41 -0.343 -10.434 6.792 1.00 0.00 C ATOM 647 C ASN A 41 -1.431 -10.239 5.678 1.00 0.00 C ATOM 648 O ASN A 41 -1.085 -10.317 4.500 1.00 0.00 O ATOM 649 CB ASN A 41 -0.083 -11.919 7.135 1.00 0.00 C ATOM 650 CG ASN A 41 -1.213 -12.680 7.801 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.490 -12.518 8.982 1.00 0.00 O ATOM 652 ND2 ASN A 41 -1.915 -13.521 7.088 1.00 0.00 N ATOM 0 H ASN A 41 -0.562 -10.215 8.888 1.00 0.00 H new ATOM 0 HA ASN A 41 0.528 -10.006 6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.178 -12.439 6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.789 -11.968 7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.685 -14.034 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.693 -13.664 6.103 1.00 0.00 H new ATOM 659 N ALA A 42 -2.695 -9.948 6.023 1.00 0.00 N ATOM 660 CA ALA A 42 -3.697 -9.452 5.041 1.00 0.00 C ATOM 661 C ALA A 42 -3.382 -8.070 4.368 1.00 0.00 C ATOM 662 O ALA A 42 -3.554 -7.947 3.154 1.00 0.00 O ATOM 663 CB ALA A 42 -5.049 -9.454 5.764 1.00 0.00 C ATOM 0 H ALA A 42 -3.056 -10.045 6.972 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.688 -10.121 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.825 -9.097 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.287 -10.467 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.998 -8.799 6.634 1.00 0.00 H new ATOM 669 N ALA A 43 -2.875 -7.072 5.114 1.00 0.00 N ATOM 670 CA ALA A 43 -2.256 -5.859 4.512 1.00 0.00 C ATOM 671 C ALA A 43 -0.992 -6.100 3.613 1.00 0.00 C ATOM 672 O ALA A 43 -0.912 -5.512 2.534 1.00 0.00 O ATOM 673 CB ALA A 43 -1.962 -4.887 5.661 1.00 0.00 C ATOM 0 H ALA A 43 -2.878 -7.074 6.134 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.970 -5.448 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.506 -3.981 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.892 -4.632 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.279 -5.356 6.369 1.00 0.00 H new ATOM 679 N GLU A 44 -0.066 -6.995 4.009 1.00 0.00 N ATOM 680 CA GLU A 44 0.985 -7.535 3.098 1.00 0.00 C ATOM 681 C GLU A 44 0.447 -8.215 1.774 1.00 0.00 C ATOM 682 O GLU A 44 0.947 -7.890 0.698 1.00 0.00 O ATOM 683 CB GLU A 44 1.907 -8.535 3.853 1.00 0.00 C ATOM 684 CG GLU A 44 2.706 -7.953 5.038 1.00 0.00 C ATOM 685 CD GLU A 44 3.542 -8.994 5.780 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.084 -10.055 6.192 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.839 -8.607 5.958 1.00 0.00 O ATOM 0 H GLU A 44 -0.018 -7.366 4.958 1.00 0.00 H new ATOM 0 HA GLU A 44 1.544 -6.656 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.294 -9.357 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.612 -8.960 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.364 -7.165 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.013 -7.488 5.739 1.00 0.00 H new ATOM 695 N GLU A 45 -0.570 -9.086 1.850 1.00 0.00 N ATOM 696 CA GLU A 45 -1.263 -9.645 0.653 1.00 0.00 C ATOM 697 C GLU A 45 -1.963 -8.602 -0.296 1.00 0.00 C ATOM 698 O GLU A 45 -1.826 -8.729 -1.514 1.00 0.00 O ATOM 699 CB GLU A 45 -2.290 -10.718 1.110 1.00 0.00 C ATOM 700 CG GLU A 45 -1.659 -12.020 1.645 1.00 0.00 C ATOM 701 CD GLU A 45 -2.693 -13.016 2.143 1.00 0.00 C ATOM 702 OE1 GLU A 45 -3.190 -13.892 1.445 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.013 -12.830 3.452 1.00 0.00 O ATOM 0 H GLU A 45 -0.943 -9.429 2.735 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.469 -10.074 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.923 -10.290 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.939 -10.962 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.067 -12.482 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.973 -11.779 2.457 1.00 0.00 H new ATOM 711 N HIS A 46 -2.664 -7.587 0.233 1.00 0.00 N ATOM 712 CA HIS A 46 -3.158 -6.443 -0.588 1.00 0.00 C ATOM 713 C HIS A 46 -2.051 -5.510 -1.201 1.00 0.00 C ATOM 714 O HIS A 46 -2.216 -5.085 -2.344 1.00 0.00 O ATOM 715 CB HIS A 46 -4.179 -5.611 0.218 1.00 0.00 C ATOM 716 CG HIS A 46 -5.547 -6.282 0.398 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.393 -6.605 -0.654 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.111 -6.684 1.617 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.404 -7.208 0.045 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.331 -7.288 1.407 1.00 0.00 N ATOM 0 H HIS A 46 -2.907 -7.525 1.222 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.632 -6.907 -1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.760 -5.399 1.202 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.322 -4.652 -0.281 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.653 -6.540 2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.255 -7.619 -0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.991 -7.682 2.077 1.00 0.00 H new ATOM 728 N LEU A 47 -0.940 -5.234 -0.499 1.00 0.00 N ATOM 729 CA LEU A 47 0.295 -4.680 -1.130 1.00 0.00 C ATOM 730 C LEU A 47 0.932 -5.568 -2.275 1.00 0.00 C ATOM 731 O LEU A 47 1.322 -5.021 -3.306 1.00 0.00 O ATOM 732 CB LEU A 47 1.355 -4.398 -0.030 1.00 0.00 C ATOM 733 CG LEU A 47 1.053 -3.232 0.935 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.008 -3.305 2.137 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.214 -1.859 0.275 1.00 0.00 C ATOM 0 H LEU A 47 -0.860 -5.381 0.507 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.020 -3.763 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.483 -5.305 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.309 -4.198 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 47 0.013 -3.337 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.797 -2.482 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.868 -4.253 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.038 -3.231 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.989 -1.078 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.239 -1.743 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.529 -1.778 -0.569 1.00 0.00 H new ATOM 747 N LYS A 48 0.993 -6.898 -2.116 1.00 0.00 N ATOM 748 CA LYS A 48 1.375 -7.839 -3.206 1.00 0.00 C ATOM 749 C LYS A 48 0.398 -7.871 -4.440 1.00 0.00 C ATOM 750 O LYS A 48 0.882 -7.769 -5.566 1.00 0.00 O ATOM 751 CB LYS A 48 1.554 -9.260 -2.608 1.00 0.00 C ATOM 752 CG LYS A 48 2.778 -9.414 -1.681 1.00 0.00 C ATOM 753 CD LYS A 48 2.745 -10.759 -0.934 1.00 0.00 C ATOM 754 CE LYS A 48 3.925 -10.897 0.032 1.00 0.00 C ATOM 755 NZ LYS A 48 3.825 -12.188 0.742 1.00 0.00 N ATOM 0 H LYS A 48 0.781 -7.362 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 48 2.313 -7.464 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.655 -9.521 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.640 -9.976 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.693 -9.344 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.798 -8.596 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.810 -10.846 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.767 -11.577 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.866 -10.841 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.923 -10.074 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.625 -12.286 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.933 -12.223 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.847 -12.966 0.052 1.00 0.00 H new ATOM 768 N ALA A 49 -0.928 -7.957 -4.249 1.00 0.00 N ATOM 769 CA ALA A 49 -1.918 -7.763 -5.348 1.00 0.00 C ATOM 770 C ALA A 49 -1.952 -6.353 -6.053 1.00 0.00 C ATOM 771 O ALA A 49 -2.166 -6.270 -7.263 1.00 0.00 O ATOM 772 CB ALA A 49 -3.290 -8.119 -4.752 1.00 0.00 C ATOM 0 H ALA A 49 -1.352 -8.160 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.614 -8.410 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.060 -7.996 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.281 -9.154 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.503 -7.460 -3.910 1.00 0.00 H new ATOM 778 N LEU A 50 -1.723 -5.271 -5.305 1.00 0.00 N ATOM 779 CA LEU A 50 -1.414 -3.915 -5.862 1.00 0.00 C ATOM 780 C LEU A 50 -0.085 -3.803 -6.686 1.00 0.00 C ATOM 781 O LEU A 50 -0.085 -3.181 -7.751 1.00 0.00 O ATOM 782 CB LEU A 50 -1.496 -3.007 -4.614 1.00 0.00 C ATOM 783 CG LEU A 50 -1.276 -1.495 -4.746 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.236 -0.803 -5.704 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.435 -0.884 -3.338 1.00 0.00 C ATOM 0 H LEU A 50 -1.743 -5.292 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.116 -3.621 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.482 -3.153 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.766 -3.379 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.281 -1.341 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.011 0.263 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.125 -1.229 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.260 -0.947 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.285 0.194 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.436 -1.093 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.696 -1.321 -2.666 1.00 0.00 H new ATOM 797 N ALA A 51 1.014 -4.432 -6.241 1.00 0.00 N ATOM 798 CA ALA A 51 2.216 -4.663 -7.085 1.00 0.00 C ATOM 799 C ALA A 51 2.029 -5.561 -8.359 1.00 0.00 C ATOM 800 O ALA A 51 2.519 -5.199 -9.429 1.00 0.00 O ATOM 801 CB ALA A 51 3.289 -5.237 -6.145 1.00 0.00 C ATOM 0 H ALA A 51 1.103 -4.796 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 51 2.494 -3.707 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.202 -5.429 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.497 -4.521 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.929 -6.169 -5.708 1.00 0.00 H new ATOM 807 N ARG A 52 1.297 -6.678 -8.244 1.00 0.00 N ATOM 808 CA ARG A 52 0.884 -7.544 -9.389 1.00 0.00 C ATOM 809 C ARG A 52 0.195 -6.841 -10.612 1.00 0.00 C ATOM 810 O ARG A 52 0.475 -7.215 -11.752 1.00 0.00 O ATOM 811 CB ARG A 52 -0.043 -8.612 -8.756 1.00 0.00 C ATOM 812 CG ARG A 52 -0.345 -9.861 -9.608 1.00 0.00 C ATOM 813 CD ARG A 52 -1.508 -10.695 -9.028 1.00 0.00 C ATOM 814 NE ARG A 52 -1.158 -11.276 -7.709 1.00 0.00 N ATOM 815 CZ ARG A 52 -2.010 -11.617 -6.761 1.00 0.00 C ATOM 816 NH1 ARG A 52 -3.304 -11.523 -6.861 1.00 0.00 N ATOM 817 NH2 ARG A 52 -1.516 -12.071 -5.661 1.00 0.00 N ATOM 0 H ARG A 52 0.963 -7.022 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 52 1.783 -7.944 -9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.407 -8.940 -7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.990 -8.134 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.592 -9.554 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.549 -10.481 -9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.392 -10.066 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.764 -11.495 -9.722 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.167 -11.426 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.725 -11.165 -7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.898 -11.808 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.505 -12.154 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.136 -12.347 -4.899 1.00 0.00 H new ATOM 830 N LYS A 53 -0.658 -5.832 -10.383 1.00 0.00 N ATOM 831 CA LYS A 53 -1.224 -4.989 -11.473 1.00 0.00 C ATOM 832 C LYS A 53 -0.271 -3.872 -12.087 1.00 0.00 C ATOM 833 O LYS A 53 -0.726 -3.088 -12.920 1.00 0.00 O ATOM 834 CB LYS A 53 -2.544 -4.333 -10.957 1.00 0.00 C ATOM 835 CG LYS A 53 -3.647 -5.326 -10.535 1.00 0.00 C ATOM 836 CD LYS A 53 -5.010 -4.669 -10.257 1.00 0.00 C ATOM 837 CE LYS A 53 -5.808 -4.382 -11.534 1.00 0.00 C ATOM 838 NZ LYS A 53 -7.159 -3.897 -11.186 1.00 0.00 N ATOM 0 H LYS A 53 -0.979 -5.570 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.388 -5.673 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.306 -3.695 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.940 -3.686 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.769 -6.072 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.321 -5.855 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.595 -5.320 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.854 -3.736 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.289 -3.637 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.881 -5.286 -12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.814 -4.102 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.489 -4.376 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.128 -2.871 -11.021 1.00 0.00 H new ATOM 851 N GLY A 54 1.016 -3.802 -11.712 1.00 0.00 N ATOM 852 CA GLY A 54 1.960 -2.771 -12.227 1.00 0.00 C ATOM 853 C GLY A 54 1.884 -1.353 -11.622 1.00 0.00 C ATOM 854 O GLY A 54 2.012 -0.371 -12.355 1.00 0.00 O ATOM 0 H GLY A 54 1.439 -4.450 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.974 -3.143 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.805 -2.684 -13.302 1.00 0.00 H new ATOM 858 N VAL A 55 1.706 -1.256 -10.300 1.00 0.00 N ATOM 859 CA VAL A 55 1.384 0.038 -9.622 1.00 0.00 C ATOM 860 C VAL A 55 2.426 0.406 -8.494 1.00 0.00 C ATOM 861 O VAL A 55 2.818 1.573 -8.406 1.00 0.00 O ATOM 862 CB VAL A 55 -0.090 0.056 -9.084 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.528 1.470 -8.647 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.165 -0.399 -10.100 1.00 0.00 C ATOM 0 H VAL A 55 1.776 -2.050 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 55 1.465 0.817 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.045 -0.651 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.554 1.436 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.129 1.825 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.468 2.149 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.149 -0.352 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.144 0.257 -10.970 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.960 -1.423 -10.412 1.00 0.00 H new ATOM 874 N ILE A 56 2.841 -0.542 -7.635 1.00 0.00 N ATOM 875 CA ILE A 56 3.849 -0.288 -6.560 1.00 0.00 C ATOM 876 C ILE A 56 5.022 -1.330 -6.621 1.00 0.00 C ATOM 877 O ILE A 56 4.793 -2.530 -6.782 1.00 0.00 O ATOM 878 CB ILE A 56 3.220 -0.189 -5.113 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.644 -1.519 -4.582 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.167 0.943 -5.041 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.143 -1.494 -3.142 1.00 0.00 C ATOM 0 H ILE A 56 2.498 -1.502 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 56 4.265 0.699 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 56 4.049 0.055 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.820 -1.821 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.413 -2.286 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.750 0.989 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.639 1.895 -5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.368 0.743 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.760 -2.478 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.964 -1.229 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.346 -0.756 -3.047 1.00 0.00 H new ATOM 893 N GLU A 57 6.271 -0.881 -6.449 1.00 0.00 N ATOM 894 CA GLU A 57 7.443 -1.794 -6.348 1.00 0.00 C ATOM 895 C GLU A 57 7.773 -2.103 -4.857 1.00 0.00 C ATOM 896 O GLU A 57 8.181 -1.221 -4.094 1.00 0.00 O ATOM 897 CB GLU A 57 8.611 -1.140 -7.124 1.00 0.00 C ATOM 898 CG GLU A 57 9.961 -1.888 -7.112 1.00 0.00 C ATOM 899 CD GLU A 57 9.951 -3.281 -7.718 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.006 -3.488 -8.925 1.00 0.00 O ATOM 901 OE2 GLU A 57 9.863 -4.264 -6.772 1.00 0.00 O ATOM 0 H GLU A 57 6.508 0.108 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 57 7.235 -2.765 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.301 -1.015 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.772 -0.142 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.694 -1.285 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.304 -1.964 -6.080 1.00 0.00 H new ATOM 909 N ILE A 58 7.633 -3.377 -4.480 1.00 0.00 N ATOM 910 CA ILE A 58 7.936 -3.855 -3.100 1.00 0.00 C ATOM 911 C ILE A 58 9.437 -4.305 -3.024 1.00 0.00 C ATOM 912 O ILE A 58 9.871 -5.210 -3.745 1.00 0.00 O ATOM 913 CB ILE A 58 6.972 -5.034 -2.702 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.458 -4.710 -2.806 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.256 -5.605 -1.288 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.932 -3.564 -1.948 1.00 0.00 C ATOM 0 H ILE A 58 7.309 -4.113 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 58 7.776 -3.042 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 58 7.202 -5.786 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.231 -4.484 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.901 -5.610 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.557 -6.414 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.276 -5.987 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.134 -4.816 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.862 -3.445 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.111 -3.785 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.447 -2.642 -2.218 1.00 0.00 H new ATOM 928 N VAL A 59 10.197 -3.721 -2.095 1.00 0.00 N ATOM 929 CA VAL A 59 11.530 -4.264 -1.678 1.00 0.00 C ATOM 930 C VAL A 59 11.259 -5.412 -0.657 1.00 0.00 C ATOM 931 O VAL A 59 10.852 -5.162 0.483 1.00 0.00 O ATOM 932 CB VAL A 59 12.428 -3.150 -1.057 1.00 0.00 C ATOM 933 CG1 VAL A 59 13.823 -3.666 -0.632 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.669 -1.982 -2.026 1.00 0.00 C ATOM 0 H VAL A 59 9.927 -2.868 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 59 12.074 -4.644 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 59 11.868 -2.817 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.401 -2.845 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.708 -4.453 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.344 -4.064 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.300 -1.234 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.164 -2.351 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.714 -1.531 -2.297 1.00 0.00 H new ATOM 944 N SER A 60 11.421 -6.665 -1.096 1.00 0.00 N ATOM 945 CA SER A 60 10.822 -7.819 -0.377 1.00 0.00 C ATOM 946 C SER A 60 11.610 -8.231 0.904 1.00 0.00 C ATOM 947 O SER A 60 12.617 -8.939 0.852 1.00 0.00 O ATOM 948 CB SER A 60 10.636 -8.980 -1.376 1.00 0.00 C ATOM 949 OG SER A 60 9.652 -8.661 -2.363 1.00 0.00 O ATOM 0 H SER A 60 11.951 -6.915 -1.931 1.00 0.00 H new ATOM 0 HA SER A 60 9.846 -7.522 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.586 -9.199 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.338 -9.881 -0.839 1.00 0.00 H new ATOM 0 HG SER A 60 9.556 -9.413 -2.984 1.00 0.00 H new ATOM 955 N GLY A 61 11.142 -7.710 2.045 1.00 0.00 N ATOM 956 CA GLY A 61 11.941 -7.688 3.295 1.00 0.00 C ATOM 957 C GLY A 61 11.717 -6.423 4.148 1.00 0.00 C ATOM 958 O GLY A 61 11.282 -6.527 5.295 1.00 0.00 O ATOM 0 H GLY A 61 10.214 -7.296 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.693 -8.566 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.999 -7.763 3.042 1.00 0.00 H new ATOM 962 N ALA A 62 12.013 -5.243 3.588 1.00 0.00 N ATOM 963 CA ALA A 62 11.839 -3.949 4.289 1.00 0.00 C ATOM 964 C ALA A 62 10.353 -3.482 4.421 1.00 0.00 C ATOM 965 O ALA A 62 9.643 -3.330 3.423 1.00 0.00 O ATOM 966 CB ALA A 62 12.668 -2.928 3.487 1.00 0.00 C ATOM 0 H ALA A 62 12.379 -5.150 2.640 1.00 0.00 H new ATOM 0 HA ALA A 62 12.174 -4.049 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.584 -1.946 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.713 -3.236 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.294 -2.879 2.464 1.00 0.00 H new ATOM 972 N SER A 63 9.904 -3.232 5.658 1.00 0.00 N ATOM 973 CA SER A 63 8.484 -2.878 5.949 1.00 0.00 C ATOM 974 C SER A 63 7.899 -1.576 5.315 1.00 0.00 C ATOM 975 O SER A 63 6.759 -1.608 4.845 1.00 0.00 O ATOM 976 CB SER A 63 8.270 -2.940 7.484 1.00 0.00 C ATOM 977 OG SER A 63 9.009 -1.941 8.187 1.00 0.00 O ATOM 0 H SER A 63 10.498 -3.265 6.487 1.00 0.00 H new ATOM 0 HA SER A 63 7.892 -3.628 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.209 -2.822 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.563 -3.925 7.847 1.00 0.00 H new ATOM 0 HG SER A 63 8.837 -2.023 9.148 1.00 0.00 H new ATOM 983 N ARG A 64 8.658 -0.472 5.283 1.00 0.00 N ATOM 984 CA ARG A 64 8.357 0.697 4.405 1.00 0.00 C ATOM 985 C ARG A 64 9.178 0.801 3.064 1.00 0.00 C ATOM 986 O ARG A 64 9.327 1.897 2.515 1.00 0.00 O ATOM 987 CB ARG A 64 8.416 2.006 5.229 1.00 0.00 C ATOM 988 CG ARG A 64 9.743 2.392 5.900 1.00 0.00 C ATOM 989 CD ARG A 64 9.634 3.788 6.532 1.00 0.00 C ATOM 990 NE ARG A 64 10.901 4.110 7.223 1.00 0.00 N ATOM 991 CZ ARG A 64 11.175 5.263 7.810 1.00 0.00 C ATOM 992 NH1 ARG A 64 10.358 6.275 7.862 1.00 0.00 N ATOM 993 NH2 ARG A 64 12.331 5.382 8.367 1.00 0.00 N ATOM 0 H ARG A 64 9.494 -0.352 5.855 1.00 0.00 H new ATOM 0 HA ARG A 64 7.342 0.526 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.127 2.825 4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.657 1.941 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.999 1.658 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.547 2.380 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.426 4.533 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.804 3.817 7.238 1.00 0.00 H new ATOM 0 HE ARG A 64 11.620 3.387 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.436 6.209 7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.640 7.134 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.991 4.605 8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.586 6.253 8.832 1.00 0.00 H new ATOM 1006 N GLY A 65 9.630 -0.320 2.475 1.00 0.00 N ATOM 1007 CA GLY A 65 10.224 -0.309 1.111 1.00 0.00 C ATOM 1008 C GLY A 65 9.194 -0.393 -0.029 1.00 0.00 C ATOM 1009 O GLY A 65 9.093 -1.421 -0.699 1.00 0.00 O ATOM 0 H GLY A 65 9.599 -1.242 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.809 0.603 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.916 -1.146 1.022 1.00 0.00 H new ATOM 1013 N ILE A 66 8.424 0.683 -0.210 1.00 0.00 N ATOM 1014 CA ILE A 66 7.223 0.682 -1.094 1.00 0.00 C ATOM 1015 C ILE A 66 7.348 1.927 -2.040 1.00 0.00 C ATOM 1016 O ILE A 66 7.016 3.053 -1.656 1.00 0.00 O ATOM 1017 CB ILE A 66 5.893 0.689 -0.238 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.750 -0.565 0.678 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.650 0.758 -1.164 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.756 -0.395 1.831 1.00 0.00 C ATOM 0 H ILE A 66 8.601 1.580 0.242 1.00 0.00 H new ATOM 0 HA ILE A 66 7.173 -0.225 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 66 5.953 1.572 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.438 -1.412 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.728 -0.812 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.744 0.762 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.691 1.669 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.640 -0.109 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.718 -1.313 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.076 0.430 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.766 -0.180 1.429 1.00 0.00 H new ATOM 1032 N ARG A 67 7.816 1.711 -3.276 1.00 0.00 N ATOM 1033 CA ARG A 67 7.976 2.803 -4.276 1.00 0.00 C ATOM 1034 C ARG A 67 6.765 2.822 -5.252 1.00 0.00 C ATOM 1035 O ARG A 67 6.630 1.941 -6.107 1.00 0.00 O ATOM 1036 CB ARG A 67 9.337 2.562 -4.977 1.00 0.00 C ATOM 1037 CG ARG A 67 9.722 3.639 -6.009 1.00 0.00 C ATOM 1038 CD ARG A 67 11.029 3.294 -6.736 1.00 0.00 C ATOM 1039 NE ARG A 67 11.340 4.345 -7.733 1.00 0.00 N ATOM 1040 CZ ARG A 67 10.934 4.374 -8.993 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.174 3.473 -9.546 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.318 5.370 -9.715 1.00 0.00 N ATOM 0 H ARG A 67 8.094 0.792 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 67 7.985 3.791 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.118 2.508 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.309 1.593 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.919 3.747 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.829 4.601 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.844 3.209 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.937 2.327 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 67 11.923 5.121 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.850 2.675 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.903 3.565 -10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.911 6.095 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.029 5.434 -10.691 1.00 0.00 H new ATOM 1055 N LEU A 68 5.890 3.831 -5.140 1.00 0.00 N ATOM 1056 CA LEU A 68 4.703 3.955 -6.027 1.00 0.00 C ATOM 1057 C LEU A 68 5.004 4.603 -7.409 1.00 0.00 C ATOM 1058 O LEU A 68 4.947 5.820 -7.588 1.00 0.00 O ATOM 1059 CB LEU A 68 3.489 4.501 -5.234 1.00 0.00 C ATOM 1060 CG LEU A 68 3.515 5.921 -4.639 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.711 6.914 -5.490 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.894 5.918 -3.225 1.00 0.00 C ATOM 0 H LEU A 68 5.973 4.576 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 68 4.400 2.958 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.623 4.445 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.307 3.811 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 68 4.560 6.228 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.756 7.903 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.133 6.958 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.673 6.587 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.918 6.928 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.861 5.574 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.464 5.250 -2.579 1.00 0.00 H new ATOM 1074 N LEU A 69 5.286 3.755 -8.412 1.00 0.00 N ATOM 1075 CA LEU A 69 5.299 4.161 -9.848 1.00 0.00 C ATOM 1076 C LEU A 69 3.944 4.631 -10.502 1.00 0.00 C ATOM 1077 O LEU A 69 3.961 5.384 -11.474 1.00 0.00 O ATOM 1078 CB LEU A 69 6.027 3.105 -10.719 1.00 0.00 C ATOM 1079 CG LEU A 69 5.393 1.702 -10.842 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.689 1.097 -12.224 1.00 0.00 C ATOM 1081 CD2 LEU A 69 5.926 0.739 -9.775 1.00 0.00 C ATOM 0 H LEU A 69 5.512 2.771 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 69 5.866 5.092 -9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.129 3.514 -11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.034 2.982 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 69 4.320 1.830 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.235 0.109 -12.293 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.275 1.742 -13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.767 1.011 -12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.455 -0.236 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.006 0.636 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.697 1.131 -8.784 1.00 0.00 H new ATOM 1093 N GLN A 70 2.817 4.205 -9.926 1.00 0.00 N ATOM 1094 CA GLN A 70 1.482 4.809 -10.129 1.00 0.00 C ATOM 1095 C GLN A 70 0.868 4.791 -11.559 1.00 0.00 C ATOM 1096 O GLN A 70 0.619 5.824 -12.184 1.00 0.00 O ATOM 1097 CB GLN A 70 1.292 6.122 -9.327 1.00 0.00 C ATOM 1098 CG GLN A 70 2.052 7.379 -9.788 1.00 0.00 C ATOM 1099 CD GLN A 70 1.655 8.630 -9.018 1.00 0.00 C ATOM 1100 OE1 GLN A 70 0.501 9.043 -8.993 1.00 0.00 O ATOM 1101 NE2 GLN A 70 2.577 9.279 -8.357 1.00 0.00 N ATOM 0 H GLN A 70 2.799 3.410 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 70 0.818 4.074 -9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.228 6.359 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.575 5.923 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.123 7.212 -9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.868 7.539 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.542 8.947 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.332 10.117 -7.830 1.00 0.00 H new ATOM 1110 N GLU A 71 0.495 3.593 -12.028 1.00 0.00 N ATOM 1111 CA GLU A 71 -0.528 3.449 -13.103 1.00 0.00 C ATOM 1112 C GLU A 71 -1.952 3.507 -12.442 1.00 0.00 C ATOM 1113 O GLU A 71 -2.477 2.482 -12.009 1.00 0.00 O ATOM 1114 CB GLU A 71 -0.290 2.134 -13.882 1.00 0.00 C ATOM 1115 CG GLU A 71 1.075 1.967 -14.581 1.00 0.00 C ATOM 1116 CD GLU A 71 1.438 3.010 -15.619 1.00 0.00 C ATOM 1117 OE1 GLU A 71 1.277 2.851 -16.824 1.00 0.00 O ATOM 1118 OE2 GLU A 71 1.961 4.136 -15.053 1.00 0.00 O ATOM 0 H GLU A 71 0.876 2.709 -11.691 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.453 4.261 -13.826 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.419 1.303 -13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.070 2.043 -14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.851 1.963 -13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.095 0.988 -15.060 1.00 0.00 H new ATOM 1126 N GLU A 72 -2.500 4.738 -12.317 1.00 0.00 N ATOM 1127 CA GLU A 72 -3.479 5.118 -11.238 1.00 0.00 C ATOM 1128 C GLU A 72 -2.755 5.380 -9.886 1.00 0.00 C ATOM 1129 O GLU A 72 -1.829 4.701 -9.450 1.00 0.00 O ATOM 1130 CB GLU A 72 -4.732 4.223 -11.171 1.00 0.00 C ATOM 1131 CG GLU A 72 -5.866 4.633 -10.212 1.00 0.00 C ATOM 1132 CD GLU A 72 -5.721 4.157 -8.772 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -5.596 4.916 -7.816 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -5.751 2.798 -8.668 1.00 0.00 O ATOM 0 H GLU A 72 -2.285 5.505 -12.954 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.915 6.076 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.151 4.160 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.410 3.218 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.939 5.721 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.807 4.251 -10.608 1.00 0.00 H new TER 1142 GLU A 72