USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 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 Single : A 2 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.055) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.34) USER MOD Single : A -5 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.1!) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl -155:sc= -0.248 (180deg=-0.955) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 43:sc= -0.104 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.015) USER MOD Single : A 15 SER OG : rot -49:sc= 0.424 USER MOD Single : A 17 ASN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 23 GLN : amide:sc= -0.0127 K(o=-0.013,f=-2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 74:sc= 0.75 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.07 F(o=-1.8,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.17 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN :FLIP amide:sc= -1.18 F(o=-1.9,f=-1.2) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -18 MET CE :methyl 179:sc= 0 (180deg=-0.00136) USER MOD Single : A -18 MET N :NH3+ 177:sc= 0.105 (180deg=0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -10.108 41.341 -9.272 1.00 0.00 N ATOM 2 CA MET A -18 -9.299 40.399 -10.088 1.00 0.00 C ATOM 3 C MET A -18 -7.835 40.420 -9.664 1.00 0.00 C ATOM 4 O MET A -18 -7.235 39.374 -9.414 1.00 0.00 O ATOM 5 CB MET A -18 -9.432 40.794 -11.560 1.00 0.00 C ATOM 6 CG MET A -18 -10.418 39.935 -12.334 1.00 0.00 C ATOM 7 SD MET A -18 -12.087 40.012 -11.655 1.00 0.00 S ATOM 8 CE MET A -18 -12.642 41.589 -12.297 1.00 0.00 C ATOM 0 H1 MET A -18 -11.090 41.343 -9.616 1.00 0.00 H new ATOM 0 H2 MET A -18 -10.091 41.041 -8.276 1.00 0.00 H new ATOM 0 H3 MET A -18 -9.711 42.299 -9.352 1.00 0.00 H new ATOM 0 HA MET A -18 -9.667 39.384 -9.937 1.00 0.00 H new ATOM 0 HB2 MET A -18 -9.745 41.836 -11.621 1.00 0.00 H new ATOM 0 HB3 MET A -18 -8.453 40.727 -12.035 1.00 0.00 H new ATOM 0 HG2 MET A -18 -10.438 40.259 -13.375 1.00 0.00 H new ATOM 0 HG3 MET A -18 -10.075 38.900 -12.329 1.00 0.00 H new ATOM 0 HE1 MET A -18 -13.668 41.771 -11.977 1.00 0.00 H new ATOM 0 HE2 MET A -18 -11.998 42.383 -11.919 1.00 0.00 H new ATOM 0 HE3 MET A -18 -12.599 41.574 -13.386 1.00 0.00 H new ATOM 20 N ASN A -17 -7.264 41.618 -9.585 1.00 0.00 N ATOM 21 CA ASN A -17 -5.869 41.774 -9.191 1.00 0.00 C ATOM 22 C ASN A -17 -5.743 41.905 -7.675 1.00 0.00 C ATOM 23 O ASN A -17 -5.206 42.890 -7.168 1.00 0.00 O ATOM 24 CB ASN A -17 -5.259 42.999 -9.877 1.00 0.00 C ATOM 25 CG ASN A -17 -4.766 42.691 -11.277 1.00 0.00 C ATOM 26 OD1 ASN A -17 -5.467 42.930 -12.262 1.00 0.00 O ATOM 27 ND2 ASN A -17 -3.553 42.158 -11.375 1.00 0.00 N ATOM 0 H ASN A -17 -7.746 42.494 -9.788 1.00 0.00 H new ATOM 0 HA ASN A -17 -5.325 40.883 -9.505 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -6.003 43.794 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -4.430 43.373 -9.277 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -3.169 41.930 -12.292 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -3.006 41.976 -10.533 1.00 0.00 H new ATOM 34 N SER A -16 -6.240 40.903 -6.958 1.00 0.00 N ATOM 35 CA SER A -16 -6.183 40.904 -5.500 1.00 0.00 C ATOM 36 C SER A -16 -4.920 40.207 -5.005 1.00 0.00 C ATOM 37 O SER A -16 -4.834 38.978 -5.004 1.00 0.00 O ATOM 38 CB SER A -16 -7.420 40.217 -4.918 1.00 0.00 C ATOM 39 OG SER A -16 -8.488 40.216 -5.850 1.00 0.00 O ATOM 0 H SER A -16 -6.687 40.080 -7.362 1.00 0.00 H new ATOM 0 HA SER A -16 -6.161 41.941 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A -16 -7.174 39.192 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A -16 -7.729 40.728 -4.006 1.00 0.00 H new ATOM 0 HG SER A -16 -9.266 39.770 -5.455 1.00 0.00 H new ATOM 45 N VAL A -15 -3.943 40.999 -4.573 1.00 0.00 N ATOM 46 CA VAL A -15 -2.687 40.451 -4.076 1.00 0.00 C ATOM 47 C VAL A -15 -2.713 40.332 -2.560 1.00 0.00 C ATOM 48 O VAL A -15 -1.999 39.516 -1.979 1.00 0.00 O ATOM 49 CB VAL A -15 -1.486 41.321 -4.492 1.00 0.00 C ATOM 50 CG1 VAL A -15 -0.178 40.631 -4.138 1.00 0.00 C ATOM 51 CG2 VAL A -15 -1.546 41.636 -5.979 1.00 0.00 C ATOM 0 H VAL A -15 -3.997 42.017 -4.557 1.00 0.00 H new ATOM 0 HA VAL A -15 -2.573 39.461 -4.519 1.00 0.00 H new ATOM 0 HB VAL A -15 -1.533 42.261 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A -15 0.659 41.261 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -0.136 40.462 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -0.118 39.675 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -0.690 42.251 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -1.524 40.707 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -2.467 42.176 -6.200 1.00 0.00 H new ATOM 61 N LYS A -14 -3.562 41.129 -1.927 1.00 0.00 N ATOM 62 CA LYS A -14 -3.706 41.087 -0.481 1.00 0.00 C ATOM 63 C LYS A -14 -4.708 40.006 -0.106 1.00 0.00 C ATOM 64 O LYS A -14 -4.571 39.340 0.921 1.00 0.00 O ATOM 65 CB LYS A -14 -4.159 42.445 0.058 1.00 0.00 C ATOM 66 CG LYS A -14 -4.399 42.456 1.560 1.00 0.00 C ATOM 67 CD LYS A -14 -3.107 42.242 2.332 1.00 0.00 C ATOM 68 CE LYS A -14 -2.471 43.564 2.729 1.00 0.00 C ATOM 69 NZ LYS A -14 -1.441 43.388 3.790 1.00 0.00 N ATOM 0 H LYS A -14 -4.160 41.811 -2.392 1.00 0.00 H new ATOM 0 HA LYS A -14 -2.739 40.854 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -3.405 43.193 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -5.077 42.740 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -4.845 43.407 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -5.114 41.676 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -3.309 41.651 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -2.408 41.669 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -2.015 44.025 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -3.244 44.247 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -1.031 44.313 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -1.881 42.972 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -0.690 42.757 3.444 1.00 0.00 H new ATOM 83 N GLU A -13 -5.709 39.825 -0.963 1.00 0.00 N ATOM 84 CA GLU A -13 -6.726 38.815 -0.746 1.00 0.00 C ATOM 85 C GLU A -13 -6.206 37.453 -1.181 1.00 0.00 C ATOM 86 O GLU A -13 -6.532 36.427 -0.583 1.00 0.00 O ATOM 87 CB GLU A -13 -8.006 39.167 -1.509 1.00 0.00 C ATOM 88 CG GLU A -13 -9.146 39.610 -0.607 1.00 0.00 C ATOM 89 CD GLU A -13 -10.476 39.669 -1.334 1.00 0.00 C ATOM 90 OE1 GLU A -13 -10.468 39.760 -2.579 1.00 0.00 O ATOM 91 OE2 GLU A -13 -11.525 39.623 -0.657 1.00 0.00 O ATOM 0 H GLU A -13 -5.833 40.370 -1.816 1.00 0.00 H new ATOM 0 HA GLU A -13 -6.962 38.779 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -7.788 39.962 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -8.326 38.300 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -9.227 38.922 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -8.917 40.593 -0.195 1.00 0.00 H new ATOM 98 N LEU A -12 -5.382 37.458 -2.222 1.00 0.00 N ATOM 99 CA LEU A -12 -4.798 36.228 -2.740 1.00 0.00 C ATOM 100 C LEU A -12 -3.615 35.786 -1.882 1.00 0.00 C ATOM 101 O LEU A -12 -3.262 34.607 -1.856 1.00 0.00 O ATOM 102 CB LEU A -12 -4.349 36.417 -4.190 1.00 0.00 C ATOM 103 CG LEU A -12 -3.774 35.166 -4.858 1.00 0.00 C ATOM 104 CD1 LEU A -12 -4.855 34.434 -5.638 1.00 0.00 C ATOM 105 CD2 LEU A -12 -2.612 35.533 -5.768 1.00 0.00 C ATOM 0 H LEU A -12 -5.103 38.301 -2.724 1.00 0.00 H new ATOM 0 HA LEU A -12 -5.562 35.451 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -5.200 36.764 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -3.597 37.206 -4.222 1.00 0.00 H new ATOM 0 HG LEU A -12 -3.402 34.500 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -4.428 33.547 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -5.655 34.137 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -5.258 35.093 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -2.216 34.631 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -2.958 36.219 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -1.828 36.012 -5.182 1.00 0.00 H new ATOM 117 N ASN A -11 -3.008 36.739 -1.181 1.00 0.00 N ATOM 118 CA ASN A -11 -1.868 36.444 -0.324 1.00 0.00 C ATOM 119 C ASN A -11 -2.299 35.642 0.897 1.00 0.00 C ATOM 120 O ASN A -11 -1.547 34.810 1.407 1.00 0.00 O ATOM 121 CB ASN A -11 -1.183 37.741 0.116 1.00 0.00 C ATOM 122 CG ASN A -11 0.044 38.060 -0.719 1.00 0.00 C ATOM 123 OD1 ASN A -11 -0.046 37.818 -2.022 1.00 0.00 O flip ATOM 124 ND2 ASN A -11 1.060 38.518 -0.199 1.00 0.00 N flip ATOM 0 H ASN A -11 -3.287 37.720 -1.190 1.00 0.00 H new ATOM 0 HA ASN A -11 -1.160 35.845 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -1.892 38.566 0.044 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -0.895 37.659 1.164 1.00 0.00 H new ATOM 0 HD21 ASN A -11 1.086 38.689 0.806 1.00 0.00 H new ATOM 0 HD22 ASN A -11 1.877 38.727 -0.773 1.00 0.00 H new ATOM 131 N VAL A -10 -3.514 35.900 1.356 1.00 0.00 N ATOM 132 CA VAL A -10 -4.060 35.207 2.517 1.00 0.00 C ATOM 133 C VAL A -10 -4.460 33.778 2.166 1.00 0.00 C ATOM 134 O VAL A -10 -4.091 32.832 2.862 1.00 0.00 O ATOM 135 CB VAL A -10 -5.285 35.948 3.087 1.00 0.00 C ATOM 136 CG1 VAL A -10 -5.742 35.305 4.388 1.00 0.00 C ATOM 137 CG2 VAL A -10 -4.969 37.421 3.295 1.00 0.00 C ATOM 0 H VAL A -10 -4.144 36.587 0.942 1.00 0.00 H new ATOM 0 HA VAL A -10 -3.274 35.185 3.272 1.00 0.00 H new ATOM 0 HB VAL A -10 -6.099 35.873 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -6.608 35.842 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -6.012 34.265 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -4.934 35.346 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -5.846 37.928 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -4.139 37.520 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -4.695 37.873 2.341 1.00 0.00 H new ATOM 147 N LYS A -9 -5.218 33.628 1.084 1.00 0.00 N ATOM 148 CA LYS A -9 -5.671 32.314 0.639 1.00 0.00 C ATOM 149 C LYS A -9 -4.490 31.373 0.422 1.00 0.00 C ATOM 150 O LYS A -9 -4.539 30.201 0.798 1.00 0.00 O ATOM 151 CB LYS A -9 -6.481 32.442 -0.653 1.00 0.00 C ATOM 152 CG LYS A -9 -7.963 32.686 -0.420 1.00 0.00 C ATOM 153 CD LYS A -9 -8.452 33.918 -1.166 1.00 0.00 C ATOM 154 CE LYS A -9 -9.543 34.641 -0.392 1.00 0.00 C ATOM 155 NZ LYS A -9 -10.899 34.342 -0.932 1.00 0.00 N ATOM 0 H LYS A -9 -5.532 34.402 0.498 1.00 0.00 H new ATOM 0 HA LYS A -9 -6.306 31.894 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -6.075 33.261 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -6.359 31.532 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -8.531 31.814 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -8.149 32.809 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -7.616 34.596 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -8.832 33.625 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -9.498 34.349 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -9.365 35.716 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -11.614 34.854 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -10.951 34.643 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -11.080 33.320 -0.870 1.00 0.00 H new ATOM 169 N GLU A -8 -3.428 31.895 -0.185 1.00 0.00 N ATOM 170 CA GLU A -8 -2.232 31.104 -0.452 1.00 0.00 C ATOM 171 C GLU A -8 -1.702 30.472 0.826 1.00 0.00 C ATOM 172 O GLU A -8 -1.821 29.266 1.038 1.00 0.00 O ATOM 173 CB GLU A -8 -1.152 31.978 -1.094 1.00 0.00 C ATOM 174 CG GLU A -8 -1.002 31.757 -2.590 1.00 0.00 C ATOM 175 CD GLU A -8 -0.417 30.398 -2.922 1.00 0.00 C ATOM 176 OE1 GLU A -8 -0.534 29.480 -2.083 1.00 0.00 O ATOM 177 OE2 GLU A -8 0.159 30.251 -4.021 1.00 0.00 O ATOM 0 H GLU A -8 -3.372 32.863 -0.501 1.00 0.00 H new ATOM 0 HA GLU A -8 -2.500 30.305 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -1.389 33.026 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -0.197 31.777 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -1.977 31.856 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -0.363 32.535 -3.006 1.00 0.00 H new ATOM 184 N MET A -7 -1.120 31.304 1.673 1.00 0.00 N ATOM 185 CA MET A -7 -0.564 30.850 2.944 1.00 0.00 C ATOM 186 C MET A -7 -1.609 30.099 3.764 1.00 0.00 C ATOM 187 O MET A -7 -1.269 29.276 4.616 1.00 0.00 O ATOM 188 CB MET A -7 -0.033 32.040 3.744 1.00 0.00 C ATOM 189 CG MET A -7 -1.108 33.044 4.127 1.00 0.00 C ATOM 190 SD MET A -7 -0.911 33.668 5.807 1.00 0.00 S ATOM 191 CE MET A -7 -1.089 32.158 6.753 1.00 0.00 C ATOM 0 H MET A -7 -1.018 32.305 1.505 1.00 0.00 H new ATOM 0 HA MET A -7 0.257 30.167 2.727 1.00 0.00 H new ATOM 0 HB2 MET A -7 0.448 31.672 4.650 1.00 0.00 H new ATOM 0 HB3 MET A -7 0.734 32.547 3.159 1.00 0.00 H new ATOM 0 HG2 MET A -7 -1.084 33.880 3.428 1.00 0.00 H new ATOM 0 HG3 MET A -7 -2.088 32.576 4.030 1.00 0.00 H new ATOM 0 HE1 MET A -7 -1.432 32.398 7.759 1.00 0.00 H new ATOM 0 HE2 MET A -7 -1.816 31.508 6.267 1.00 0.00 H new ATOM 0 HE3 MET A -7 -0.127 31.648 6.809 1.00 0.00 H new ATOM 201 N LYS A -6 -2.883 30.386 3.504 1.00 0.00 N ATOM 202 CA LYS A -6 -3.977 29.737 4.221 1.00 0.00 C ATOM 203 C LYS A -6 -3.854 28.219 4.141 1.00 0.00 C ATOM 204 O LYS A -6 -3.598 27.555 5.146 1.00 0.00 O ATOM 205 CB LYS A -6 -5.325 30.186 3.652 1.00 0.00 C ATOM 206 CG LYS A -6 -6.218 30.870 4.674 1.00 0.00 C ATOM 207 CD LYS A -6 -6.690 29.896 5.742 1.00 0.00 C ATOM 208 CE LYS A -6 -7.314 30.622 6.922 1.00 0.00 C ATOM 209 NZ LYS A -6 -6.953 29.986 8.220 1.00 0.00 N ATOM 0 H LYS A -6 -3.182 31.063 2.803 1.00 0.00 H new ATOM 0 HA LYS A -6 -3.919 30.032 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -5.150 30.868 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -5.847 29.318 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -5.674 31.690 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -7.081 31.306 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -7.417 29.207 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -5.848 29.296 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -6.986 31.661 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -8.398 30.630 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -7.398 30.511 9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -7.288 29.002 8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -5.920 30.001 8.338 1.00 0.00 H new ATOM 223 N GLN A -5 -4.035 27.674 2.941 1.00 0.00 N ATOM 224 CA GLN A -5 -3.940 26.236 2.739 1.00 0.00 C ATOM 225 C GLN A -5 -2.498 25.795 2.506 1.00 0.00 C ATOM 226 O GLN A -5 -2.246 24.698 2.007 1.00 0.00 O ATOM 227 CB GLN A -5 -4.776 25.837 1.536 1.00 0.00 C ATOM 228 CG GLN A -5 -6.272 25.843 1.798 1.00 0.00 C ATOM 229 CD GLN A -5 -6.832 27.244 1.952 1.00 0.00 C ATOM 230 OE1 GLN A -5 -6.335 28.194 1.345 1.00 0.00 O ATOM 231 NE2 GLN A -5 -7.871 27.381 2.767 1.00 0.00 N ATOM 0 H GLN A -5 -4.248 28.207 2.098 1.00 0.00 H new ATOM 0 HA GLN A -5 -4.308 25.748 3.641 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -4.558 26.517 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -4.477 24.840 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -6.783 25.340 0.977 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -6.481 25.271 2.702 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -8.251 26.567 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -8.289 28.300 2.910 1.00 0.00 H new ATOM 240 N LEU A -4 -1.562 26.650 2.876 1.00 0.00 N ATOM 241 CA LEU A -4 -0.143 26.356 2.721 1.00 0.00 C ATOM 242 C LEU A -4 0.395 25.649 3.954 1.00 0.00 C ATOM 243 O LEU A -4 0.836 24.500 3.891 1.00 0.00 O ATOM 244 CB LEU A -4 0.646 27.643 2.468 1.00 0.00 C ATOM 245 CG LEU A -4 1.878 27.483 1.575 1.00 0.00 C ATOM 246 CD1 LEU A -4 2.909 26.588 2.245 1.00 0.00 C ATOM 247 CD2 LEU A -4 1.482 26.921 0.219 1.00 0.00 C ATOM 0 H LEU A -4 -1.758 27.562 3.290 1.00 0.00 H new ATOM 0 HA LEU A -4 -0.024 25.696 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -0.020 28.376 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A -4 0.962 28.052 3.428 1.00 0.00 H new ATOM 0 HG LEU A -4 2.324 28.466 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A -4 3.778 26.485 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A -4 3.214 27.031 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A -4 2.474 25.605 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A -4 2.370 26.814 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A -4 1.012 25.947 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A -4 0.779 27.599 -0.265 1.00 0.00 H new ATOM 259 N HIS A -3 0.352 26.351 5.072 1.00 0.00 N ATOM 260 CA HIS A -3 0.829 25.815 6.340 1.00 0.00 C ATOM 261 C HIS A -3 -0.036 24.643 6.803 1.00 0.00 C ATOM 262 O HIS A -3 0.386 23.842 7.637 1.00 0.00 O ATOM 263 CB HIS A -3 0.840 26.910 7.408 1.00 0.00 C ATOM 264 CG HIS A -3 2.046 26.868 8.294 1.00 0.00 C ATOM 265 ND1 HIS A -3 2.881 25.773 8.379 1.00 0.00 N ATOM 266 CD2 HIS A -3 2.558 27.795 9.139 1.00 0.00 C ATOM 267 CE1 HIS A -3 3.853 26.028 9.237 1.00 0.00 C ATOM 268 NE2 HIS A -3 3.680 27.248 9.711 1.00 0.00 N ATOM 0 H HIS A -3 -0.011 27.302 5.130 1.00 0.00 H new ATOM 0 HA HIS A -3 1.846 25.451 6.190 1.00 0.00 H new ATOM 0 HB2 HIS A -3 0.791 27.883 6.920 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -0.056 26.817 8.022 1.00 0.00 H new ATOM 0 HD2 HIS A -3 2.158 28.780 9.328 1.00 0.00 H new ATOM 0 HE1 HIS A -3 4.653 25.353 9.505 1.00 0.00 H new ATOM 0 HE2 HIS A -3 4.283 27.710 10.392 1.00 0.00 H new ATOM 277 N GLY A -2 -1.245 24.551 6.259 1.00 0.00 N ATOM 278 CA GLY A -2 -2.147 23.476 6.630 1.00 0.00 C ATOM 279 C GLY A -2 -1.541 22.105 6.402 1.00 0.00 C ATOM 280 O GLY A -2 -1.248 21.730 5.266 1.00 0.00 O ATOM 0 H GLY A -2 -1.617 25.202 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -2.418 23.580 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -3.068 23.563 6.053 1.00 0.00 H new ATOM 284 N GLY A -1 -1.353 21.356 7.483 1.00 0.00 N ATOM 285 CA GLY A -1 -0.779 20.028 7.374 1.00 0.00 C ATOM 286 C GLY A -1 0.708 20.061 7.082 1.00 0.00 C ATOM 287 O GLY A -1 1.236 21.077 6.629 1.00 0.00 O ATOM 0 H GLY A -1 -1.588 21.645 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -0.952 19.484 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -1.289 19.479 6.583 1.00 0.00 H new ATOM 291 N VAL A 1 1.385 18.948 7.341 1.00 0.00 N ATOM 292 CA VAL A 1 2.821 18.855 7.102 1.00 0.00 C ATOM 293 C VAL A 1 3.116 18.597 5.629 1.00 0.00 C ATOM 294 O VAL A 1 2.201 18.505 4.811 1.00 0.00 O ATOM 295 CB VAL A 1 3.459 17.735 7.946 1.00 0.00 C ATOM 296 CG1 VAL A 1 3.366 18.062 9.428 1.00 0.00 C ATOM 297 CG2 VAL A 1 2.799 16.398 7.645 1.00 0.00 C ATOM 0 H VAL A 1 0.963 18.098 7.716 1.00 0.00 H new ATOM 0 HA VAL A 1 3.254 19.812 7.395 1.00 0.00 H new ATOM 0 HB VAL A 1 4.514 17.662 7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.822 17.259 10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.890 18.996 9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.319 18.165 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.263 15.619 8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.736 16.456 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.925 16.160 6.589 1.00 0.00 H new ATOM 307 N ASN A 2 4.397 18.483 5.298 1.00 0.00 N ATOM 308 CA ASN A 2 4.811 18.234 3.921 1.00 0.00 C ATOM 309 C ASN A 2 5.826 17.097 3.857 1.00 0.00 C ATOM 310 O ASN A 2 6.882 17.225 3.235 1.00 0.00 O ATOM 311 CB ASN A 2 5.407 19.504 3.310 1.00 0.00 C ATOM 312 CG ASN A 2 5.164 19.596 1.816 1.00 0.00 C ATOM 313 OD1 ASN A 2 6.096 19.781 1.034 1.00 0.00 O ATOM 314 ND2 ASN A 2 3.905 19.466 1.413 1.00 0.00 N ATOM 0 H ASN A 2 5.167 18.559 5.963 1.00 0.00 H new ATOM 0 HA ASN A 2 3.931 17.943 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.975 20.377 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.479 19.528 3.503 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.680 19.518 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.164 19.314 2.097 1.00 0.00 H new ATOM 321 N TYR A 3 5.497 15.984 4.504 1.00 0.00 N ATOM 322 CA TYR A 3 6.378 14.822 4.521 1.00 0.00 C ATOM 323 C TYR A 3 7.720 15.164 5.161 1.00 0.00 C ATOM 324 O TYR A 3 8.711 15.388 4.467 1.00 0.00 O ATOM 325 CB TYR A 3 6.596 14.299 3.100 1.00 0.00 C ATOM 326 CG TYR A 3 5.401 13.566 2.532 1.00 0.00 C ATOM 327 CD1 TYR A 3 4.154 14.175 2.472 1.00 0.00 C ATOM 328 CD2 TYR A 3 5.520 12.266 2.057 1.00 0.00 C ATOM 329 CE1 TYR A 3 3.060 13.509 1.954 1.00 0.00 C ATOM 330 CE2 TYR A 3 4.430 11.594 1.537 1.00 0.00 C ATOM 331 CZ TYR A 3 3.202 12.220 1.487 1.00 0.00 C ATOM 332 OH TYR A 3 2.115 11.554 0.971 1.00 0.00 O ATOM 0 H TYR A 3 4.627 15.862 5.023 1.00 0.00 H new ATOM 0 HA TYR A 3 5.900 14.045 5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.841 15.137 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.457 13.630 3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.038 15.185 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.480 11.772 2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.097 13.997 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.539 10.584 1.172 1.00 0.00 H new ATOM 0 HH TYR A 3 2.386 10.657 0.686 1.00 0.00 H new ATOM 342 N GLY A 4 7.743 15.203 6.490 1.00 0.00 N ATOM 343 CA GLY A 4 8.968 15.518 7.202 1.00 0.00 C ATOM 344 C GLY A 4 9.222 14.579 8.364 1.00 0.00 C ATOM 345 O GLY A 4 9.569 13.415 8.166 1.00 0.00 O ATOM 0 H GLY A 4 6.935 15.022 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.809 15.470 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.917 16.542 7.571 1.00 0.00 H new ATOM 349 N ASN A 5 9.050 15.087 9.580 1.00 0.00 N ATOM 350 CA ASN A 5 9.265 14.285 10.781 1.00 0.00 C ATOM 351 C ASN A 5 7.992 14.184 11.619 1.00 0.00 C ATOM 352 O ASN A 5 7.840 13.263 12.421 1.00 0.00 O ATOM 353 CB ASN A 5 10.397 14.882 11.620 1.00 0.00 C ATOM 354 CG ASN A 5 11.750 14.298 11.265 1.00 0.00 C ATOM 355 OD1 ASN A 5 12.085 13.185 11.671 1.00 0.00 O ATOM 356 ND2 ASN A 5 12.536 15.049 10.501 1.00 0.00 N ATOM 0 H ASN A 5 8.763 16.049 9.761 1.00 0.00 H new ATOM 0 HA ASN A 5 9.542 13.279 10.465 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.422 15.962 11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.194 14.706 12.676 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.458 14.709 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.217 15.966 10.187 1.00 0.00 H new ATOM 363 N GLY A 6 7.084 15.134 11.430 1.00 0.00 N ATOM 364 CA GLY A 6 5.838 15.129 12.176 1.00 0.00 C ATOM 365 C GLY A 6 6.060 15.196 13.675 1.00 0.00 C ATOM 366 O GLY A 6 5.497 14.401 14.429 1.00 0.00 O ATOM 0 H GLY A 6 7.187 15.908 10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.228 15.976 11.864 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.277 14.226 11.935 1.00 0.00 H new ATOM 370 N VAL A 7 6.882 16.145 14.108 1.00 0.00 N ATOM 371 CA VAL A 7 7.181 16.317 15.522 1.00 0.00 C ATOM 372 C VAL A 7 6.223 17.331 16.153 1.00 0.00 C ATOM 373 O VAL A 7 5.194 17.664 15.567 1.00 0.00 O ATOM 374 CB VAL A 7 8.638 16.784 15.726 1.00 0.00 C ATOM 375 CG1 VAL A 7 9.188 16.283 17.055 1.00 0.00 C ATOM 376 CG2 VAL A 7 9.523 16.321 14.576 1.00 0.00 C ATOM 0 H VAL A 7 7.355 16.810 13.495 1.00 0.00 H new ATOM 0 HA VAL A 7 7.052 15.351 16.010 1.00 0.00 H new ATOM 0 HB VAL A 7 8.640 17.874 15.743 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.216 16.625 17.176 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.578 16.671 17.871 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.164 15.193 17.071 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.545 16.662 14.743 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.509 15.232 14.521 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.150 16.736 13.640 1.00 0.00 H new ATOM 386 N SER A 8 6.565 17.821 17.342 1.00 0.00 N ATOM 387 CA SER A 8 5.734 18.795 18.037 1.00 0.00 C ATOM 388 C SER A 8 4.305 18.285 18.204 1.00 0.00 C ATOM 389 O SER A 8 3.943 17.236 17.669 1.00 0.00 O ATOM 390 CB SER A 8 5.737 20.116 17.274 1.00 0.00 C ATOM 391 OG SER A 8 5.504 21.211 18.143 1.00 0.00 O ATOM 0 H SER A 8 7.413 17.558 17.843 1.00 0.00 H new ATOM 0 HA SER A 8 6.151 18.952 19.032 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.695 20.246 16.770 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.970 20.093 16.500 1.00 0.00 H new ATOM 0 HG SER A 8 5.513 22.045 17.628 1.00 0.00 H new ATOM 397 N CYS A 9 3.499 19.032 18.950 1.00 0.00 N ATOM 398 CA CYS A 9 2.112 18.654 19.190 1.00 0.00 C ATOM 399 C CYS A 9 1.158 19.563 18.421 1.00 0.00 C ATOM 400 O CYS A 9 1.071 20.760 18.691 1.00 0.00 O ATOM 401 CB CYS A 9 1.792 18.715 20.687 1.00 0.00 C ATOM 402 SG CYS A 9 3.113 18.061 21.760 1.00 0.00 S ATOM 0 H CYS A 9 3.783 19.903 19.399 1.00 0.00 H new ATOM 0 HA CYS A 9 1.978 17.631 18.838 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.594 19.751 20.963 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.876 18.155 20.875 1.00 0.00 H new ATOM 407 N SER A 10 0.442 18.983 17.462 1.00 0.00 N ATOM 408 CA SER A 10 -0.508 19.740 16.656 1.00 0.00 C ATOM 409 C SER A 10 -1.516 18.810 15.990 1.00 0.00 C ATOM 410 O SER A 10 -1.165 18.027 15.106 1.00 0.00 O ATOM 411 CB SER A 10 0.222 20.560 15.595 1.00 0.00 C ATOM 412 OG SER A 10 1.327 19.847 15.068 1.00 0.00 O ATOM 0 H SER A 10 0.502 17.993 17.225 1.00 0.00 H new ATOM 0 HA SER A 10 -1.045 20.418 17.319 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.467 20.814 14.790 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.565 21.499 16.029 1.00 0.00 H new ATOM 0 HG SER A 10 1.776 20.394 14.390 1.00 0.00 H new ATOM 418 N LYS A 11 -2.770 18.907 16.418 1.00 0.00 N ATOM 419 CA LYS A 11 -3.840 18.083 15.868 1.00 0.00 C ATOM 420 C LYS A 11 -3.598 16.589 16.098 1.00 0.00 C ATOM 421 O LYS A 11 -4.393 15.755 15.666 1.00 0.00 O ATOM 422 CB LYS A 11 -3.982 18.366 14.380 1.00 0.00 C ATOM 423 CG LYS A 11 -5.346 18.007 13.814 1.00 0.00 C ATOM 424 CD LYS A 11 -5.276 17.733 12.320 1.00 0.00 C ATOM 425 CE LYS A 11 -5.163 16.245 12.032 1.00 0.00 C ATOM 426 NZ LYS A 11 -5.878 15.866 10.782 1.00 0.00 N ATOM 0 H LYS A 11 -3.071 19.552 17.148 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.762 18.343 16.388 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.792 19.424 14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.217 17.809 13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.734 17.128 14.328 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.045 18.822 14.003 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.166 18.132 11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.419 18.254 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.112 15.971 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.573 15.681 12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.777 14.844 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.886 16.104 10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.471 16.385 9.978 1.00 0.00 H new ATOM 440 N THR A 12 -2.505 16.252 16.777 1.00 0.00 N ATOM 441 CA THR A 12 -2.179 14.865 17.055 1.00 0.00 C ATOM 442 C THR A 12 -1.366 14.738 18.339 1.00 0.00 C ATOM 443 O THR A 12 -1.065 15.736 18.996 1.00 0.00 O ATOM 444 CB THR A 12 -1.422 14.257 15.886 1.00 0.00 C ATOM 445 OG1 THR A 12 -1.246 12.863 16.066 1.00 0.00 O ATOM 446 CG2 THR A 12 -0.071 14.875 15.711 1.00 0.00 C ATOM 0 H THR A 12 -1.832 16.925 17.144 1.00 0.00 H new ATOM 0 HA THR A 12 -3.112 14.319 17.192 1.00 0.00 H new ATOM 0 HB THR A 12 -2.025 14.452 14.999 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.078 12.469 16.401 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.435 14.410 14.865 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.181 15.944 15.526 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.519 14.722 16.615 1.00 0.00 H new ATOM 454 N LYS A 13 -1.010 13.508 18.690 1.00 0.00 N ATOM 455 CA LYS A 13 -0.226 13.253 19.891 1.00 0.00 C ATOM 456 C LYS A 13 1.194 13.785 19.731 1.00 0.00 C ATOM 457 O LYS A 13 1.598 14.183 18.638 1.00 0.00 O ATOM 458 CB LYS A 13 -0.193 11.754 20.195 1.00 0.00 C ATOM 459 CG LYS A 13 0.237 10.904 19.009 1.00 0.00 C ATOM 460 CD LYS A 13 -0.795 9.834 18.684 1.00 0.00 C ATOM 461 CE LYS A 13 -0.649 8.626 19.594 1.00 0.00 C ATOM 462 NZ LYS A 13 0.495 7.762 19.191 1.00 0.00 N ATOM 0 H LYS A 13 -1.252 12.671 18.159 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.699 13.773 20.724 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.489 11.575 21.026 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.183 11.435 20.520 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.387 11.542 18.138 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.195 10.432 19.227 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.797 10.250 18.788 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.684 9.524 17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.507 8.961 20.622 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.569 8.043 19.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.509 6.907 19.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.390 7.491 18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.386 8.284 19.316 1.00 0.00 H new ATOM 476 N CYS A 14 1.948 13.788 20.824 1.00 0.00 N ATOM 477 CA CYS A 14 3.325 14.269 20.799 1.00 0.00 C ATOM 478 C CYS A 14 4.305 13.106 20.687 1.00 0.00 C ATOM 479 O CYS A 14 5.426 13.175 21.191 1.00 0.00 O ATOM 480 CB CYS A 14 3.627 15.087 22.055 1.00 0.00 C ATOM 481 SG CYS A 14 2.348 16.319 22.464 1.00 0.00 S ATOM 0 H CYS A 14 1.630 13.463 21.737 1.00 0.00 H new ATOM 0 HA CYS A 14 3.444 14.907 19.923 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.745 14.407 22.899 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.580 15.599 21.922 1.00 0.00 H new ATOM 486 N SER A 15 3.873 12.038 20.022 1.00 0.00 N ATOM 487 CA SER A 15 4.711 10.859 19.843 1.00 0.00 C ATOM 488 C SER A 15 4.273 10.067 18.615 1.00 0.00 C ATOM 489 O SER A 15 4.273 8.836 18.625 1.00 0.00 O ATOM 490 CB SER A 15 4.651 9.971 21.087 1.00 0.00 C ATOM 491 OG SER A 15 5.614 8.933 21.020 1.00 0.00 O ATOM 0 H SER A 15 2.948 11.966 19.599 1.00 0.00 H new ATOM 0 HA SER A 15 5.739 11.191 19.694 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.824 10.575 21.978 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.654 9.541 21.183 1.00 0.00 H new ATOM 0 HG SER A 15 5.550 8.483 20.152 1.00 0.00 H new ATOM 497 N VAL A 16 3.904 10.783 17.559 1.00 0.00 N ATOM 498 CA VAL A 16 3.464 10.150 16.322 1.00 0.00 C ATOM 499 C VAL A 16 4.623 9.434 15.634 1.00 0.00 C ATOM 500 O VAL A 16 5.790 9.739 15.883 1.00 0.00 O ATOM 501 CB VAL A 16 2.854 11.179 15.350 1.00 0.00 C ATOM 502 CG1 VAL A 16 3.883 12.231 14.962 1.00 0.00 C ATOM 503 CG2 VAL A 16 2.296 10.487 14.116 1.00 0.00 C ATOM 0 H VAL A 16 3.901 11.803 17.535 1.00 0.00 H new ATOM 0 HA VAL A 16 2.698 9.422 16.590 1.00 0.00 H new ATOM 0 HB VAL A 16 2.032 11.682 15.858 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.431 12.947 14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.225 12.752 15.856 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.731 11.749 14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.870 11.231 13.443 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.097 9.952 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.521 9.781 14.414 1.00 0.00 H new ATOM 513 N ASN A 17 4.293 8.482 14.768 1.00 0.00 N ATOM 514 CA ASN A 17 5.308 7.724 14.045 1.00 0.00 C ATOM 515 C ASN A 17 5.534 8.303 12.653 1.00 0.00 C ATOM 516 O ASN A 17 5.732 7.566 11.687 1.00 0.00 O ATOM 517 CB ASN A 17 4.897 6.254 13.941 1.00 0.00 C ATOM 518 CG ASN A 17 5.191 5.480 15.211 1.00 0.00 C ATOM 519 OD1 ASN A 17 4.586 5.722 16.253 1.00 0.00 O ATOM 520 ND2 ASN A 17 6.126 4.541 15.128 1.00 0.00 N ATOM 0 H ASN A 17 3.332 8.217 14.550 1.00 0.00 H new ATOM 0 HA ASN A 17 6.243 7.794 14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.831 6.192 13.720 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.423 5.791 13.106 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.367 3.987 15.950 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.603 4.374 14.242 1.00 0.00 H new ATOM 527 N TRP A 18 5.506 9.628 12.559 1.00 0.00 N ATOM 528 CA TRP A 18 5.710 10.309 11.288 1.00 0.00 C ATOM 529 C TRP A 18 7.157 10.169 10.818 1.00 0.00 C ATOM 530 O TRP A 18 7.453 10.333 9.634 1.00 0.00 O ATOM 531 CB TRP A 18 5.337 11.787 11.409 1.00 0.00 C ATOM 532 CG TRP A 18 4.227 12.185 10.488 1.00 0.00 C ATOM 533 CD1 TRP A 18 2.937 12.466 10.832 1.00 0.00 C ATOM 534 CD2 TRP A 18 4.306 12.337 9.066 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.209 12.785 9.712 1.00 0.00 N ATOM 536 CE2 TRP A 18 3.028 12.714 8.615 1.00 0.00 C ATOM 537 CE3 TRP A 18 5.335 12.192 8.130 1.00 0.00 C ATOM 538 CZ2 TRP A 18 2.751 12.949 7.271 1.00 0.00 C ATOM 539 CZ3 TRP A 18 5.059 12.425 6.797 1.00 0.00 C ATOM 540 CH2 TRP A 18 3.777 12.801 6.377 1.00 0.00 C ATOM 0 H TRP A 18 5.344 10.252 13.350 1.00 0.00 H new ATOM 0 HA TRP A 18 5.062 9.841 10.547 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.043 11.999 12.437 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.215 12.397 11.196 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.545 12.441 11.838 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.220 13.034 9.699 1.00 0.00 H new ATOM 0 HE3 TRP A 18 6.327 11.903 8.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.762 13.238 6.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.846 12.315 6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.594 12.978 5.327 1.00 0.00 H new ATOM 551 N GLY A 19 8.053 9.861 11.752 1.00 0.00 N ATOM 552 CA GLY A 19 9.455 9.700 11.414 1.00 0.00 C ATOM 553 C GLY A 19 9.886 8.250 11.466 1.00 0.00 C ATOM 554 O GLY A 19 10.528 7.745 10.541 1.00 0.00 O ATOM 0 H GLY A 19 7.832 9.720 12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.635 10.097 10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.064 10.285 12.104 1.00 0.00 H new ATOM 558 N GLN A 20 9.519 7.567 12.544 1.00 0.00 N ATOM 559 CA GLN A 20 9.861 6.162 12.699 1.00 0.00 C ATOM 560 C GLN A 20 9.372 5.375 11.494 1.00 0.00 C ATOM 561 O GLN A 20 10.171 4.809 10.749 1.00 0.00 O ATOM 562 CB GLN A 20 9.250 5.596 13.984 1.00 0.00 C ATOM 563 CG GLN A 20 9.803 4.235 14.373 1.00 0.00 C ATOM 564 CD GLN A 20 10.080 4.120 15.859 1.00 0.00 C ATOM 565 OE1 GLN A 20 9.272 4.540 16.687 1.00 0.00 O ATOM 566 NE2 GLN A 20 11.227 3.547 16.204 1.00 0.00 N ATOM 0 H GLN A 20 8.987 7.963 13.319 1.00 0.00 H new ATOM 0 HA GLN A 20 10.945 6.073 12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.427 6.297 14.800 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.170 5.518 13.859 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.094 3.461 14.079 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.724 4.050 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.867 3.213 15.484 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.468 3.441 17.189 1.00 0.00 H new ATOM 575 N ALA A 21 8.056 5.352 11.290 1.00 0.00 N ATOM 576 CA ALA A 21 7.498 4.642 10.150 1.00 0.00 C ATOM 577 C ALA A 21 7.914 5.262 8.834 1.00 0.00 C ATOM 578 O ALA A 21 7.689 4.703 7.761 1.00 0.00 O ATOM 579 CB ALA A 21 5.994 4.506 10.246 1.00 0.00 C ATOM 0 H ALA A 21 7.370 5.810 11.890 1.00 0.00 H new ATOM 0 HA ALA A 21 7.916 3.636 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.621 3.970 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.736 3.954 11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.541 5.497 10.284 1.00 0.00 H new ATOM 585 N PHE A 22 8.569 6.389 8.930 1.00 0.00 N ATOM 586 CA PHE A 22 9.085 7.064 7.754 1.00 0.00 C ATOM 587 C PHE A 22 10.192 6.196 7.195 1.00 0.00 C ATOM 588 O PHE A 22 10.326 6.015 5.985 1.00 0.00 O ATOM 589 CB PHE A 22 9.614 8.458 8.099 1.00 0.00 C ATOM 590 CG PHE A 22 9.582 9.415 6.941 1.00 0.00 C ATOM 591 CD1 PHE A 22 8.410 9.626 6.232 1.00 0.00 C ATOM 592 CD2 PHE A 22 10.723 10.103 6.562 1.00 0.00 C ATOM 593 CE1 PHE A 22 8.377 10.505 5.166 1.00 0.00 C ATOM 594 CE2 PHE A 22 10.697 10.982 5.497 1.00 0.00 C ATOM 595 CZ PHE A 22 9.523 11.184 4.798 1.00 0.00 C ATOM 0 H PHE A 22 8.762 6.865 9.811 1.00 0.00 H new ATOM 0 HA PHE A 22 8.291 7.205 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.023 8.870 8.917 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.639 8.370 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.512 9.097 6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.644 9.950 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.457 10.661 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.594 11.511 5.211 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.501 11.871 3.965 1.00 0.00 H new ATOM 605 N GLN A 23 10.955 5.620 8.120 1.00 0.00 N ATOM 606 CA GLN A 23 12.034 4.713 7.782 1.00 0.00 C ATOM 607 C GLN A 23 11.466 3.322 7.496 1.00 0.00 C ATOM 608 O GLN A 23 12.066 2.536 6.761 1.00 0.00 O ATOM 609 CB GLN A 23 13.044 4.647 8.931 1.00 0.00 C ATOM 610 CG GLN A 23 14.318 5.434 8.667 1.00 0.00 C ATOM 611 CD GLN A 23 15.272 4.705 7.740 1.00 0.00 C ATOM 612 OE1 GLN A 23 14.851 3.925 6.886 1.00 0.00 O ATOM 613 NE2 GLN A 23 16.565 4.956 7.906 1.00 0.00 N ATOM 0 H GLN A 23 10.838 5.772 9.122 1.00 0.00 H new ATOM 0 HA GLN A 23 12.544 5.079 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.574 5.026 9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.303 3.605 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.061 6.399 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.819 5.635 9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.869 5.610 8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.254 4.495 7.313 1.00 0.00 H new ATOM 622 N GLU A 24 10.301 3.024 8.085 1.00 0.00 N ATOM 623 CA GLU A 24 9.657 1.730 7.891 1.00 0.00 C ATOM 624 C GLU A 24 9.125 1.594 6.468 1.00 0.00 C ATOM 625 O GLU A 24 9.328 0.572 5.812 1.00 0.00 O ATOM 626 CB GLU A 24 8.541 1.507 8.929 1.00 0.00 C ATOM 627 CG GLU A 24 7.128 1.819 8.445 1.00 0.00 C ATOM 628 CD GLU A 24 6.064 1.165 9.305 1.00 0.00 C ATOM 629 OE1 GLU A 24 6.216 1.172 10.545 1.00 0.00 O ATOM 630 OE2 GLU A 24 5.081 0.644 8.739 1.00 0.00 O ATOM 0 H GLU A 24 9.791 3.662 8.696 1.00 0.00 H new ATOM 0 HA GLU A 24 10.407 0.954 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.574 0.468 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.752 2.123 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.977 2.899 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.017 1.481 7.415 1.00 0.00 H new ATOM 637 N ARG A 25 8.446 2.635 5.993 1.00 0.00 N ATOM 638 CA ARG A 25 7.891 2.632 4.647 1.00 0.00 C ATOM 639 C ARG A 25 9.001 2.589 3.607 1.00 0.00 C ATOM 640 O ARG A 25 8.834 2.029 2.523 1.00 0.00 O ATOM 641 CB ARG A 25 7.014 3.866 4.427 1.00 0.00 C ATOM 642 CG ARG A 25 5.562 3.661 4.828 1.00 0.00 C ATOM 643 CD ARG A 25 4.628 3.775 3.633 1.00 0.00 C ATOM 644 NE ARG A 25 4.144 5.141 3.446 1.00 0.00 N ATOM 645 CZ ARG A 25 3.570 5.577 2.327 1.00 0.00 C ATOM 646 NH1 ARG A 25 3.406 4.760 1.294 1.00 0.00 N ATOM 647 NH2 ARG A 25 3.158 6.835 2.240 1.00 0.00 N ATOM 0 H ARG A 25 8.268 3.489 6.521 1.00 0.00 H new ATOM 0 HA ARG A 25 7.276 1.739 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.425 4.700 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.055 4.148 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.446 2.680 5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.284 4.400 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.149 3.448 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.779 3.105 3.771 1.00 0.00 H new ATOM 0 HE ARG A 25 4.252 5.799 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.721 3.792 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.965 5.100 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.281 7.468 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.718 7.169 1.383 1.00 0.00 H new ATOM 661 N TYR A 26 10.136 3.180 3.950 1.00 0.00 N ATOM 662 CA TYR A 26 11.283 3.211 3.056 1.00 0.00 C ATOM 663 C TYR A 26 11.859 1.811 2.875 1.00 0.00 C ATOM 664 O TYR A 26 12.180 1.399 1.760 1.00 0.00 O ATOM 665 CB TYR A 26 12.358 4.154 3.601 1.00 0.00 C ATOM 666 CG TYR A 26 12.258 5.563 3.058 1.00 0.00 C ATOM 667 CD1 TYR A 26 11.091 6.303 3.204 1.00 0.00 C ATOM 668 CD2 TYR A 26 13.330 6.152 2.400 1.00 0.00 C ATOM 669 CE1 TYR A 26 10.995 7.589 2.709 1.00 0.00 C ATOM 670 CE2 TYR A 26 13.243 7.439 1.904 1.00 0.00 C ATOM 671 CZ TYR A 26 12.074 8.152 2.060 1.00 0.00 C ATOM 672 OH TYR A 26 11.983 9.434 1.565 1.00 0.00 O ATOM 0 H TYR A 26 10.287 3.646 4.845 1.00 0.00 H new ATOM 0 HA TYR A 26 10.951 3.579 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.284 4.186 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.341 3.749 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.245 5.865 3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.247 5.595 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.080 8.150 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.087 7.884 1.397 1.00 0.00 H new ATOM 0 HH TYR A 26 12.830 9.681 1.138 1.00 0.00 H new ATOM 682 N THR A 27 11.982 1.082 3.979 1.00 0.00 N ATOM 683 CA THR A 27 12.513 -0.275 3.942 1.00 0.00 C ATOM 684 C THR A 27 11.570 -1.202 3.184 1.00 0.00 C ATOM 685 O THR A 27 12.009 -2.096 2.461 1.00 0.00 O ATOM 686 CB THR A 27 12.731 -0.799 5.363 1.00 0.00 C ATOM 687 OG1 THR A 27 13.517 0.108 6.116 1.00 0.00 O ATOM 688 CG2 THR A 27 13.419 -2.147 5.406 1.00 0.00 C ATOM 0 H THR A 27 11.721 1.408 4.910 1.00 0.00 H new ATOM 0 HA THR A 27 13.471 -0.253 3.422 1.00 0.00 H new ATOM 0 HB THR A 27 11.733 -0.905 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.977 0.891 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.542 -2.460 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.814 -2.882 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.397 -2.072 4.931 1.00 0.00 H new ATOM 696 N ALA A 28 10.269 -0.981 3.353 1.00 0.00 N ATOM 697 CA ALA A 28 9.262 -1.792 2.685 1.00 0.00 C ATOM 698 C ALA A 28 9.287 -1.563 1.178 1.00 0.00 C ATOM 699 O ALA A 28 9.074 -2.489 0.396 1.00 0.00 O ATOM 700 CB ALA A 28 7.882 -1.485 3.245 1.00 0.00 C ATOM 0 H ALA A 28 9.890 -0.245 3.949 1.00 0.00 H new ATOM 0 HA ALA A 28 9.492 -2.841 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.138 -2.098 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.865 -1.705 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.652 -0.431 3.088 1.00 0.00 H new ATOM 706 N GLY A 29 9.547 -0.322 0.778 1.00 0.00 N ATOM 707 CA GLY A 29 9.595 0.007 -0.634 1.00 0.00 C ATOM 708 C GLY A 29 10.849 -0.512 -1.309 1.00 0.00 C ATOM 709 O GLY A 29 10.772 -1.227 -2.308 1.00 0.00 O ATOM 0 H GLY A 29 9.725 0.461 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.719 -0.411 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.543 1.089 -0.754 1.00 0.00 H new ATOM 713 N ILE A 30 12.007 -0.153 -0.763 1.00 0.00 N ATOM 714 CA ILE A 30 13.281 -0.589 -1.320 1.00 0.00 C ATOM 715 C ILE A 30 13.384 -2.111 -1.329 1.00 0.00 C ATOM 716 O ILE A 30 13.977 -2.697 -2.234 1.00 0.00 O ATOM 717 CB ILE A 30 14.470 -0.001 -0.533 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.380 1.526 -0.505 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.791 -0.449 -1.144 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.549 2.189 0.188 1.00 0.00 C ATOM 0 H ILE A 30 12.088 0.438 0.064 1.00 0.00 H new ATOM 0 HA ILE A 30 13.322 -0.222 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 30 14.427 -0.371 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.317 1.897 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.458 1.818 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.618 -0.024 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.854 -1.537 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.848 -0.107 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.417 3.271 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.600 1.847 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.473 1.927 -0.327 1.00 0.00 H new ATOM 732 N ASN A 31 12.800 -2.748 -0.316 1.00 0.00 N ATOM 733 CA ASN A 31 12.825 -4.204 -0.210 1.00 0.00 C ATOM 734 C ASN A 31 12.320 -4.849 -1.497 1.00 0.00 C ATOM 735 O ASN A 31 13.078 -5.497 -2.218 1.00 0.00 O ATOM 736 CB ASN A 31 11.978 -4.666 0.977 1.00 0.00 C ATOM 737 CG ASN A 31 12.822 -5.037 2.181 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.372 -4.641 3.365 1.00 0.00 O flip ATOM 739 ND2 ASN A 31 13.867 -5.673 2.047 1.00 0.00 N flip ATOM 0 H ASN A 31 12.304 -2.279 0.442 1.00 0.00 H new ATOM 0 HA ASN A 31 13.857 -4.516 -0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.283 -3.873 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.378 -5.526 0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.175 -5.957 1.117 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.425 -5.916 2.866 1.00 0.00 H new ATOM 746 N SER A 32 11.036 -4.657 -1.787 1.00 0.00 N ATOM 747 CA SER A 32 10.439 -5.212 -2.994 1.00 0.00 C ATOM 748 C SER A 32 11.169 -4.700 -4.231 1.00 0.00 C ATOM 749 O SER A 32 11.258 -5.391 -5.246 1.00 0.00 O ATOM 750 CB SER A 32 8.955 -4.846 -3.072 1.00 0.00 C ATOM 751 OG SER A 32 8.285 -5.169 -1.866 1.00 0.00 O ATOM 0 H SER A 32 10.392 -4.123 -1.204 1.00 0.00 H new ATOM 0 HA SER A 32 10.531 -6.297 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.851 -3.780 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.490 -5.376 -3.903 1.00 0.00 H new ATOM 0 HG SER A 32 7.339 -4.924 -1.941 1.00 0.00 H new ATOM 757 N PHE A 33 11.696 -3.483 -4.130 1.00 0.00 N ATOM 758 CA PHE A 33 12.427 -2.870 -5.229 1.00 0.00 C ATOM 759 C PHE A 33 13.713 -3.646 -5.513 1.00 0.00 C ATOM 760 O PHE A 33 14.045 -3.919 -6.666 1.00 0.00 O ATOM 761 CB PHE A 33 12.738 -1.403 -4.893 1.00 0.00 C ATOM 762 CG PHE A 33 14.010 -0.880 -5.502 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.071 -0.557 -6.848 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.144 -0.711 -4.725 1.00 0.00 C ATOM 765 CE1 PHE A 33 15.238 -0.075 -7.408 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.315 -0.230 -5.278 1.00 0.00 C ATOM 767 CZ PHE A 33 16.362 0.089 -6.621 1.00 0.00 C ATOM 0 H PHE A 33 11.629 -2.902 -3.294 1.00 0.00 H new ATOM 0 HA PHE A 33 11.810 -2.899 -6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.907 -0.782 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.798 -1.296 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.195 -0.684 -7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.112 -0.958 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.272 0.173 -8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.192 -0.104 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.276 0.466 -7.056 1.00 0.00 H new ATOM 777 N VAL A 34 14.432 -4.002 -4.449 1.00 0.00 N ATOM 778 CA VAL A 34 15.677 -4.748 -4.586 1.00 0.00 C ATOM 779 C VAL A 34 15.458 -6.025 -5.389 1.00 0.00 C ATOM 780 O VAL A 34 15.860 -6.109 -6.545 1.00 0.00 O ATOM 781 CB VAL A 34 16.282 -5.099 -3.210 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.611 -5.826 -3.375 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.453 -3.844 -2.366 1.00 0.00 C ATOM 0 H VAL A 34 14.173 -3.786 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 34 16.379 -4.106 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 34 15.593 -5.767 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.020 -6.064 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.455 -6.747 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.311 -5.187 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.881 -4.111 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.119 -3.149 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.482 -3.372 -2.215 1.00 0.00 H new ATOM 793 N SER A 35 14.836 -7.024 -4.770 1.00 0.00 N ATOM 794 CA SER A 35 14.595 -8.292 -5.428 1.00 0.00 C ATOM 795 C SER A 35 13.991 -8.115 -6.800 1.00 0.00 C ATOM 796 O SER A 35 14.536 -8.623 -7.779 1.00 0.00 O ATOM 797 CB SER A 35 13.699 -9.187 -4.559 1.00 0.00 C ATOM 798 OG SER A 35 12.649 -9.768 -5.317 1.00 0.00 O ATOM 0 H SER A 35 14.491 -6.974 -3.811 1.00 0.00 H new ATOM 0 HA SER A 35 15.562 -8.777 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.301 -9.975 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.278 -8.599 -3.744 1.00 0.00 H new ATOM 0 HG SER A 35 12.099 -10.333 -4.735 1.00 0.00 H new ATOM 804 N GLY A 36 12.895 -7.388 -6.891 1.00 0.00 N ATOM 805 CA GLY A 36 12.298 -7.168 -8.195 1.00 0.00 C ATOM 806 C GLY A 36 13.388 -7.061 -9.239 1.00 0.00 C ATOM 807 O GLY A 36 13.315 -7.664 -10.310 1.00 0.00 O ATOM 0 H GLY A 36 12.412 -6.952 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.624 -7.988 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.700 -6.257 -8.184 1.00 0.00 H new ATOM 811 N VAL A 37 14.427 -6.313 -8.879 1.00 0.00 N ATOM 812 CA VAL A 37 15.586 -6.130 -9.715 1.00 0.00 C ATOM 813 C VAL A 37 16.673 -7.172 -9.424 1.00 0.00 C ATOM 814 O VAL A 37 16.943 -8.056 -10.237 1.00 0.00 O ATOM 815 CB VAL A 37 16.177 -4.716 -9.539 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.369 -4.510 -10.462 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.112 -3.661 -9.793 1.00 0.00 C ATOM 0 H VAL A 37 14.478 -5.817 -7.989 1.00 0.00 H new ATOM 0 HA VAL A 37 15.251 -6.258 -10.744 1.00 0.00 H new ATOM 0 HB VAL A 37 16.525 -4.615 -8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.769 -3.506 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.140 -5.244 -10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.052 -4.632 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.545 -2.669 -9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.734 -3.763 -10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.293 -3.793 -9.086 1.00 0.00 H new ATOM 827 N ALA A 38 17.320 -7.016 -8.264 1.00 0.00 N ATOM 828 CA ALA A 38 18.412 -7.878 -7.845 1.00 0.00 C ATOM 829 C ALA A 38 17.969 -9.176 -7.185 1.00 0.00 C ATOM 830 O ALA A 38 18.077 -10.262 -7.752 1.00 0.00 O ATOM 831 CB ALA A 38 19.334 -7.119 -6.896 1.00 0.00 C ATOM 0 H ALA A 38 17.094 -6.283 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 38 18.934 -8.162 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.151 -7.770 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.740 -6.245 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.771 -6.799 -6.019 1.00 0.00 H new ATOM 837 N SER A 39 17.535 -9.029 -5.941 1.00 0.00 N ATOM 838 CA SER A 39 17.131 -10.141 -5.095 1.00 0.00 C ATOM 839 C SER A 39 15.913 -10.917 -5.614 1.00 0.00 C ATOM 840 O SER A 39 15.373 -11.768 -4.907 1.00 0.00 O ATOM 841 CB SER A 39 16.893 -9.602 -3.687 1.00 0.00 C ATOM 842 OG SER A 39 17.199 -10.577 -2.705 1.00 0.00 O ATOM 0 H SER A 39 17.453 -8.120 -5.485 1.00 0.00 H new ATOM 0 HA SER A 39 17.937 -10.875 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.506 -8.715 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.853 -9.293 -3.584 1.00 0.00 H new ATOM 0 HG SER A 39 17.039 -10.204 -1.813 1.00 0.00 H new ATOM 848 N GLY A 40 15.480 -10.629 -6.840 1.00 0.00 N ATOM 849 CA GLY A 40 14.334 -11.322 -7.398 1.00 0.00 C ATOM 850 C GLY A 40 14.392 -11.413 -8.911 1.00 0.00 C ATOM 851 O GLY A 40 13.480 -10.961 -9.602 1.00 0.00 O ATOM 0 H GLY A 40 15.901 -9.931 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.281 -12.327 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.421 -10.805 -7.103 1.00 0.00 H new ATOM 855 N ALA A 41 15.467 -12.000 -9.425 1.00 0.00 N ATOM 856 CA ALA A 41 15.641 -12.152 -10.859 1.00 0.00 C ATOM 857 C ALA A 41 16.404 -13.431 -11.190 1.00 0.00 C ATOM 858 O ALA A 41 17.553 -13.386 -11.628 1.00 0.00 O ATOM 859 CB ALA A 41 16.356 -10.939 -11.436 1.00 0.00 C ATOM 0 H ALA A 41 16.231 -12.378 -8.866 1.00 0.00 H new ATOM 0 HA ALA A 41 14.653 -12.226 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.479 -11.067 -12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.766 -10.043 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 41 17.335 -10.837 -10.968 1.00 0.00 H new ATOM 865 N GLY A 42 15.754 -14.571 -10.978 1.00 0.00 N ATOM 866 CA GLY A 42 16.384 -15.847 -11.260 1.00 0.00 C ATOM 867 C GLY A 42 17.612 -16.093 -10.404 1.00 0.00 C ATOM 868 O GLY A 42 18.719 -15.699 -10.770 1.00 0.00 O ATOM 0 H GLY A 42 14.802 -14.633 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.664 -16.648 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.666 -15.884 -12.312 1.00 0.00 H new ATOM 872 N SER A 43 17.415 -16.747 -9.264 1.00 0.00 N ATOM 873 CA SER A 43 18.515 -17.046 -8.355 1.00 0.00 C ATOM 874 C SER A 43 19.349 -18.205 -8.878 1.00 0.00 C ATOM 875 O SER A 43 20.517 -18.042 -9.228 1.00 0.00 O ATOM 876 CB SER A 43 17.978 -17.376 -6.960 1.00 0.00 C ATOM 877 OG SER A 43 18.980 -17.203 -5.973 1.00 0.00 O ATOM 0 H SER A 43 16.504 -17.080 -8.948 1.00 0.00 H new ATOM 0 HA SER A 43 19.151 -16.163 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.126 -16.735 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.617 -18.404 -6.940 1.00 0.00 H new ATOM 0 HG SER A 43 18.611 -17.418 -5.091 1.00 0.00 H new ATOM 883 N ILE A 44 18.732 -19.372 -8.926 1.00 0.00 N ATOM 884 CA ILE A 44 19.398 -20.577 -9.404 1.00 0.00 C ATOM 885 C ILE A 44 18.872 -20.985 -10.777 1.00 0.00 C ATOM 886 O ILE A 44 18.671 -22.168 -11.052 1.00 0.00 O ATOM 887 CB ILE A 44 19.208 -21.750 -8.423 1.00 0.00 C ATOM 888 CG1 ILE A 44 19.531 -21.309 -6.995 1.00 0.00 C ATOM 889 CG2 ILE A 44 20.081 -22.929 -8.830 1.00 0.00 C ATOM 890 CD1 ILE A 44 20.979 -20.917 -6.797 1.00 0.00 C ATOM 0 H ILE A 44 17.764 -19.514 -8.638 1.00 0.00 H new ATOM 0 HA ILE A 44 20.460 -20.345 -9.478 1.00 0.00 H new ATOM 0 HB ILE A 44 18.165 -22.066 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.895 -20.464 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 44 19.285 -22.119 -6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.935 -23.749 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.806 -23.257 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.128 -22.626 -8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 44 21.136 -20.615 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 44 21.621 -21.767 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 44 21.225 -20.086 -7.458 1.00 0.00 H new ATOM 902 N GLY A 45 18.653 -19.995 -11.637 1.00 0.00 N ATOM 903 CA GLY A 45 18.152 -20.270 -12.972 1.00 0.00 C ATOM 904 C GLY A 45 18.975 -19.592 -14.051 1.00 0.00 C ATOM 905 O GLY A 45 19.988 -20.130 -14.497 1.00 0.00 O ATOM 0 H GLY A 45 18.813 -19.008 -11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 45 18.152 -21.347 -13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.117 -19.936 -13.045 1.00 0.00 H new ATOM 909 N ARG A 46 18.537 -18.410 -14.471 1.00 0.00 N ATOM 910 CA ARG A 46 19.238 -17.659 -15.505 1.00 0.00 C ATOM 911 C ARG A 46 19.396 -16.196 -15.104 1.00 0.00 C ATOM 912 O ARG A 46 18.374 -15.564 -14.762 1.00 0.00 O ATOM 913 CB ARG A 46 18.487 -17.758 -16.835 1.00 0.00 C ATOM 914 CG ARG A 46 19.396 -17.715 -18.052 1.00 0.00 C ATOM 915 CD ARG A 46 19.689 -16.287 -18.483 1.00 0.00 C ATOM 916 NE ARG A 46 21.112 -15.967 -18.393 1.00 0.00 N ATOM 917 CZ ARG A 46 22.017 -16.355 -19.288 1.00 0.00 C ATOM 918 NH1 ARG A 46 21.652 -17.075 -20.342 1.00 0.00 N ATOM 919 NH2 ARG A 46 23.291 -16.024 -19.128 1.00 0.00 N ATOM 920 OXT ARG A 46 20.539 -15.694 -15.134 1.00 0.00 O ATOM 0 H ARG A 46 17.700 -17.952 -14.111 1.00 0.00 H new ATOM 0 HA ARG A 46 20.231 -18.093 -15.623 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.915 -18.686 -16.852 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.769 -16.940 -16.899 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.332 -18.226 -17.826 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.928 -18.255 -18.875 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.349 -16.141 -19.508 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.122 -15.597 -17.858 1.00 0.00 H new ATOM 0 HE ARG A 46 21.430 -15.414 -17.597 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.674 -17.334 -20.469 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.350 -17.370 -21.025 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.577 -15.472 -18.319 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.985 -16.321 -19.814 1.00 0.00 H new TER 934 ARG A 46