USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot 131:sc= 0.685 USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 0.456 F(o=0.1,f=1.1) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -145:sc= -0.603 (180deg=-1.08) USER MOD Set 2.2: A 59 GLN : amide:sc= -0.0589 X(o=-0.66,f=-0.99) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.103 (180deg=-0.57) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= 2.56 (180deg=1.82) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.0704 (180deg=-0.45) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 49 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.88) USER MOD Single : A 55 GLN : amide:sc= 0.058 X(o=0.058,f=-0.0072) USER MOD Single : A 57 ASN : amide:sc= 0.72 K(o=0.72,f=-7.4!) USER MOD Single : A 67 SER OG : rot 2:sc= 0.615 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-3.5!,f=0) USER MOD Single : A 78 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 82 ASN : amide:sc= 1.15 K(o=1.1,f=-0.078) USER MOD Single : A 83 THR OG1 : rot 58:sc= -1.53! USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= -0.0165 (180deg=-0.0902) USER MOD Single : A 86 ASN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.668 -12.362 2.853 1.00 0.00 N ATOM 2 CA GLY A 1 14.218 -12.318 2.684 1.00 0.00 C ATOM 3 C GLY A 1 13.838 -11.822 1.319 1.00 0.00 C ATOM 4 O GLY A 1 13.919 -10.621 1.041 1.00 0.00 O ATOM 0 H1 GLY A 1 15.896 -12.709 3.807 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.081 -13.001 2.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.061 -11.407 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.802 -13.314 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.782 -11.668 3.443 1.00 0.00 H new ATOM 10 N HIS A 2 13.445 -12.731 0.459 1.00 0.00 N ATOM 11 CA HIS A 2 13.012 -12.389 -0.876 1.00 0.00 C ATOM 12 C HIS A 2 11.582 -11.925 -0.808 1.00 0.00 C ATOM 13 O HIS A 2 10.683 -12.705 -0.459 1.00 0.00 O ATOM 14 CB HIS A 2 13.134 -13.587 -1.835 1.00 0.00 C ATOM 15 CG HIS A 2 14.536 -14.073 -2.053 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.191 -14.945 -1.207 1.00 0.00 N ATOM 17 CD2 HIS A 2 15.408 -13.799 -3.048 1.00 0.00 C ATOM 18 CE1 HIS A 2 16.405 -15.170 -1.698 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.593 -14.497 -2.822 1.00 0.00 N ATOM 0 H HIS A 2 13.416 -13.730 0.665 1.00 0.00 H new ATOM 0 HA HIS A 2 13.652 -11.597 -1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 2 12.535 -14.410 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.706 -13.309 -2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 2 15.217 -13.144 -3.885 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.140 -15.816 -1.241 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.432 -14.491 -3.403 1.00 0.00 H new ATOM 27 N MET A 3 11.366 -10.668 -1.094 1.00 0.00 N ATOM 28 CA MET A 3 10.043 -10.103 -1.007 1.00 0.00 C ATOM 29 C MET A 3 9.201 -10.517 -2.192 1.00 0.00 C ATOM 30 O MET A 3 9.497 -10.168 -3.328 1.00 0.00 O ATOM 31 CB MET A 3 10.084 -8.573 -0.859 1.00 0.00 C ATOM 32 CG MET A 3 8.701 -7.947 -0.700 1.00 0.00 C ATOM 33 SD MET A 3 8.725 -6.165 -0.376 1.00 0.00 S ATOM 34 CE MET A 3 9.591 -6.116 1.196 1.00 0.00 C ATOM 0 H MET A 3 12.090 -10.014 -1.390 1.00 0.00 H new ATOM 0 HA MET A 3 9.576 -10.500 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.694 -8.314 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.572 -8.143 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.124 -8.132 -1.606 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.180 -8.446 0.117 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.383 -5.170 1.697 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.253 -6.941 1.823 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.663 -6.207 1.024 1.00 0.00 H new ATOM 44 N GLU A 4 8.184 -11.286 -1.913 1.00 0.00 N ATOM 45 CA GLU A 4 7.263 -11.746 -2.911 1.00 0.00 C ATOM 46 C GLU A 4 6.230 -10.684 -3.145 1.00 0.00 C ATOM 47 O GLU A 4 5.440 -10.410 -2.262 1.00 0.00 O ATOM 48 CB GLU A 4 6.582 -13.016 -2.425 1.00 0.00 C ATOM 49 CG GLU A 4 5.514 -13.551 -3.359 1.00 0.00 C ATOM 50 CD GLU A 4 4.899 -14.831 -2.871 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.983 -14.795 -2.023 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.317 -15.920 -3.340 1.00 0.00 O ATOM 0 H GLU A 4 7.970 -11.614 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 4 7.796 -11.955 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.339 -13.787 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.132 -12.823 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.733 -12.800 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.950 -13.716 -4.345 1.00 0.00 H new ATOM 59 N LEU A 5 6.265 -10.066 -4.289 1.00 0.00 N ATOM 60 CA LEU A 5 5.311 -9.043 -4.621 1.00 0.00 C ATOM 61 C LEU A 5 4.076 -9.684 -5.187 1.00 0.00 C ATOM 62 O LEU A 5 4.165 -10.543 -6.073 1.00 0.00 O ATOM 63 CB LEU A 5 5.878 -8.028 -5.630 1.00 0.00 C ATOM 64 CG LEU A 5 7.159 -7.273 -5.237 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.089 -6.751 -3.826 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.417 -8.091 -5.471 1.00 0.00 C ATOM 0 H LEU A 5 6.953 -10.254 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 5 5.072 -8.497 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.072 -8.555 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.103 -7.290 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 5 7.223 -6.412 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.013 -6.224 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.246 -6.066 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.958 -7.584 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.290 -7.508 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.373 -9.004 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.492 -8.348 -6.528 1.00 0.00 H new ATOM 78 N PHE A 6 2.944 -9.308 -4.676 1.00 0.00 N ATOM 79 CA PHE A 6 1.705 -9.846 -5.132 1.00 0.00 C ATOM 80 C PHE A 6 0.623 -8.784 -5.237 1.00 0.00 C ATOM 81 O PHE A 6 0.531 -7.878 -4.411 1.00 0.00 O ATOM 82 CB PHE A 6 1.244 -11.024 -4.264 1.00 0.00 C ATOM 83 CG PHE A 6 1.274 -10.793 -2.789 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.209 -10.190 -2.158 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.360 -11.179 -2.038 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.227 -9.970 -0.798 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.390 -10.969 -0.683 1.00 0.00 C ATOM 88 CZ PHE A 6 1.323 -10.362 -0.058 1.00 0.00 C ATOM 0 H PHE A 6 2.856 -8.618 -3.930 1.00 0.00 H new ATOM 0 HA PHE A 6 1.882 -10.226 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.226 -11.286 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.871 -11.886 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.651 -9.886 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.201 -11.654 -2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.613 -9.493 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.249 -11.279 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.345 -10.193 1.009 1.00 0.00 H new ATOM 98 N PRO A 7 -0.175 -8.858 -6.281 1.00 0.00 N ATOM 99 CA PRO A 7 -1.282 -7.950 -6.486 1.00 0.00 C ATOM 100 C PRO A 7 -2.530 -8.358 -5.719 1.00 0.00 C ATOM 101 O PRO A 7 -3.057 -9.460 -5.886 1.00 0.00 O ATOM 102 CB PRO A 7 -1.554 -8.070 -7.958 1.00 0.00 C ATOM 103 CG PRO A 7 -1.151 -9.475 -8.308 1.00 0.00 C ATOM 104 CD PRO A 7 -0.049 -9.840 -7.370 1.00 0.00 C ATOM 0 HA PRO A 7 -1.038 -6.945 -6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.606 -7.892 -8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.979 -7.340 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.993 -10.159 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.817 -9.537 -9.344 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.158 -10.861 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.926 -9.778 -7.854 1.00 0.00 H new ATOM 112 N VAL A 8 -2.991 -7.493 -4.895 1.00 0.00 N ATOM 113 CA VAL A 8 -4.200 -7.721 -4.173 1.00 0.00 C ATOM 114 C VAL A 8 -5.242 -6.780 -4.676 1.00 0.00 C ATOM 115 O VAL A 8 -5.168 -5.584 -4.412 1.00 0.00 O ATOM 116 CB VAL A 8 -4.040 -7.506 -2.645 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.327 -7.833 -1.893 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.894 -8.309 -2.108 1.00 0.00 C ATOM 0 H VAL A 8 -2.542 -6.599 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.482 -8.762 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.824 -6.450 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.176 -7.670 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.130 -7.187 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.595 -8.875 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.803 -8.141 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.072 -9.368 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.972 -8.003 -2.603 1.00 0.00 H new ATOM 128 N GLU A 9 -6.163 -7.279 -5.441 1.00 0.00 N ATOM 129 CA GLU A 9 -7.249 -6.468 -5.864 1.00 0.00 C ATOM 130 C GLU A 9 -8.291 -6.517 -4.788 1.00 0.00 C ATOM 131 O GLU A 9 -8.963 -7.536 -4.592 1.00 0.00 O ATOM 132 CB GLU A 9 -7.823 -6.901 -7.197 1.00 0.00 C ATOM 133 CG GLU A 9 -8.900 -5.964 -7.710 1.00 0.00 C ATOM 134 CD GLU A 9 -9.452 -6.391 -9.025 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.880 -6.004 -10.060 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.468 -7.116 -9.058 1.00 0.00 O ATOM 0 H GLU A 9 -6.180 -8.240 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.895 -5.449 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.019 -6.959 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.238 -7.904 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.708 -5.912 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.488 -4.959 -7.802 1.00 0.00 H new ATOM 143 N LEU A 10 -8.381 -5.464 -4.065 1.00 0.00 N ATOM 144 CA LEU A 10 -9.268 -5.390 -2.972 1.00 0.00 C ATOM 145 C LEU A 10 -10.512 -4.728 -3.479 1.00 0.00 C ATOM 146 O LEU A 10 -10.442 -3.950 -4.427 1.00 0.00 O ATOM 147 CB LEU A 10 -8.636 -4.527 -1.904 1.00 0.00 C ATOM 148 CG LEU A 10 -9.224 -4.601 -0.511 1.00 0.00 C ATOM 149 CD1 LEU A 10 -8.906 -5.931 0.136 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.732 -3.455 0.325 1.00 0.00 C ATOM 0 H LEU A 10 -7.832 -4.618 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.490 -6.372 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.580 -4.791 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.685 -3.490 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.309 -4.523 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.338 -5.962 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.325 -6.738 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.825 -6.053 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.163 -3.522 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.645 -3.496 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.030 -2.514 -0.137 1.00 0.00 H new ATOM 162 N GLU A 11 -11.620 -5.029 -2.906 1.00 0.00 N ATOM 163 CA GLU A 11 -12.832 -4.399 -3.301 1.00 0.00 C ATOM 164 C GLU A 11 -13.344 -3.585 -2.149 1.00 0.00 C ATOM 165 O GLU A 11 -14.004 -4.104 -1.256 1.00 0.00 O ATOM 166 CB GLU A 11 -13.887 -5.410 -3.745 1.00 0.00 C ATOM 167 CG GLU A 11 -15.170 -4.759 -4.243 1.00 0.00 C ATOM 168 CD GLU A 11 -16.258 -5.752 -4.498 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.998 -6.095 -3.531 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.398 -6.204 -5.656 1.00 0.00 O ATOM 0 H GLU A 11 -11.716 -5.713 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.628 -3.759 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.473 -6.034 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.123 -6.070 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.513 -4.031 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.962 -4.210 -5.161 1.00 0.00 H new ATOM 177 N LYS A 12 -12.978 -2.349 -2.125 1.00 0.00 N ATOM 178 CA LYS A 12 -13.415 -1.466 -1.100 1.00 0.00 C ATOM 179 C LYS A 12 -14.768 -0.854 -1.364 1.00 0.00 C ATOM 180 O LYS A 12 -15.432 -1.112 -2.388 1.00 0.00 O ATOM 181 CB LYS A 12 -12.371 -0.393 -0.757 1.00 0.00 C ATOM 182 CG LYS A 12 -11.277 -0.883 0.191 1.00 0.00 C ATOM 183 CD LYS A 12 -11.833 -1.353 1.547 1.00 0.00 C ATOM 184 CE LYS A 12 -11.575 -0.413 2.741 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.304 0.857 2.623 1.00 0.00 N ATOM 0 H LYS A 12 -12.365 -1.921 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.533 -2.098 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.909 -0.040 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.875 0.461 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.735 -1.704 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.559 -0.080 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.909 -1.496 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.402 -2.328 1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.869 -0.913 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.507 -0.210 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.881 1.561 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.248 1.200 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.301 0.711 2.882 1.00 0.00 H new ATOM 199 N ASP A 13 -15.169 -0.097 -0.405 1.00 0.00 N ATOM 200 CA ASP A 13 -16.395 0.625 -0.361 1.00 0.00 C ATOM 201 C ASP A 13 -16.203 1.980 -0.983 1.00 0.00 C ATOM 202 O ASP A 13 -15.067 2.388 -1.251 1.00 0.00 O ATOM 203 CB ASP A 13 -16.835 0.750 1.105 1.00 0.00 C ATOM 204 CG ASP A 13 -15.676 1.116 2.024 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.818 0.222 2.319 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.557 2.275 2.421 1.00 0.00 O ATOM 0 H ASP A 13 -14.607 0.046 0.434 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.169 0.101 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.614 1.508 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.273 -0.193 1.433 1.00 0.00 H new ATOM 211 N GLU A 14 -17.297 2.693 -1.156 1.00 0.00 N ATOM 212 CA GLU A 14 -17.301 3.986 -1.855 1.00 0.00 C ATOM 213 C GLU A 14 -16.491 5.077 -1.146 1.00 0.00 C ATOM 214 O GLU A 14 -16.136 6.090 -1.762 1.00 0.00 O ATOM 215 CB GLU A 14 -18.721 4.469 -2.110 1.00 0.00 C ATOM 216 CG GLU A 14 -19.574 4.618 -0.861 1.00 0.00 C ATOM 217 CD GLU A 14 -20.881 5.288 -1.156 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.774 4.657 -1.750 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.029 6.489 -0.839 1.00 0.00 O ATOM 0 H GLU A 14 -18.215 2.402 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.804 3.801 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.677 5.431 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.212 3.771 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.759 3.635 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.029 5.197 -0.116 1.00 0.00 H new ATOM 226 N ASP A 15 -16.212 4.876 0.130 1.00 0.00 N ATOM 227 CA ASP A 15 -15.421 5.826 0.916 1.00 0.00 C ATOM 228 C ASP A 15 -13.988 5.832 0.439 1.00 0.00 C ATOM 229 O ASP A 15 -13.300 6.860 0.456 1.00 0.00 O ATOM 230 CB ASP A 15 -15.472 5.449 2.391 1.00 0.00 C ATOM 231 CG ASP A 15 -14.549 6.282 3.266 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.805 7.483 3.466 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.550 5.729 3.793 1.00 0.00 O ATOM 0 H ASP A 15 -16.522 4.058 0.654 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.841 6.824 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.495 5.559 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.208 4.397 2.498 1.00 0.00 H new ATOM 238 N GLY A 16 -13.552 4.694 0.007 1.00 0.00 N ATOM 239 CA GLY A 16 -12.219 4.551 -0.475 1.00 0.00 C ATOM 240 C GLY A 16 -11.521 3.546 0.353 1.00 0.00 C ATOM 241 O GLY A 16 -12.018 2.439 0.516 1.00 0.00 O ATOM 0 H GLY A 16 -14.109 3.840 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.226 4.241 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.696 5.506 -0.430 1.00 0.00 H new ATOM 245 N LEU A 17 -10.409 3.897 0.928 1.00 0.00 N ATOM 246 CA LEU A 17 -9.724 2.949 1.767 1.00 0.00 C ATOM 247 C LEU A 17 -9.936 3.299 3.171 1.00 0.00 C ATOM 248 O LEU A 17 -10.360 2.469 3.947 1.00 0.00 O ATOM 249 CB LEU A 17 -8.235 2.897 1.530 1.00 0.00 C ATOM 250 CG LEU A 17 -7.801 2.748 0.118 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.318 2.542 0.042 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.551 1.659 -0.618 1.00 0.00 C ATOM 0 H LEU A 17 -9.962 4.809 0.838 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.138 1.972 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.792 3.809 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.826 2.066 2.104 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.049 3.679 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.019 2.435 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.809 3.401 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.047 1.641 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.190 1.598 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.388 0.704 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.616 1.889 -0.622 1.00 0.00 H new ATOM 264 N GLY A 18 -9.647 4.537 3.488 1.00 0.00 N ATOM 265 CA GLY A 18 -9.709 4.986 4.840 1.00 0.00 C ATOM 266 C GLY A 18 -8.600 4.380 5.659 1.00 0.00 C ATOM 267 O GLY A 18 -8.728 4.218 6.872 1.00 0.00 O ATOM 0 H GLY A 18 -9.365 5.250 2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.636 6.073 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.673 4.719 5.272 1.00 0.00 H new ATOM 271 N ILE A 19 -7.519 3.994 4.991 1.00 0.00 N ATOM 272 CA ILE A 19 -6.393 3.409 5.695 1.00 0.00 C ATOM 273 C ILE A 19 -5.305 4.462 5.862 1.00 0.00 C ATOM 274 O ILE A 19 -5.431 5.573 5.340 1.00 0.00 O ATOM 275 CB ILE A 19 -5.811 2.159 4.971 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.112 2.546 3.661 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.929 1.160 4.694 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.412 1.387 2.972 1.00 0.00 C ATOM 0 H ILE A 19 -7.402 4.075 3.981 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.754 3.072 6.667 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.066 1.702 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.849 2.970 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.381 3.328 3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.519 0.286 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.384 0.853 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.684 1.625 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.942 1.740 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.650 0.976 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.141 0.613 2.732 1.00 0.00 H new ATOM 290 N SER A 20 -4.251 4.115 6.539 1.00 0.00 N ATOM 291 CA SER A 20 -3.193 5.047 6.825 1.00 0.00 C ATOM 292 C SER A 20 -1.850 4.413 6.509 1.00 0.00 C ATOM 293 O SER A 20 -1.680 3.199 6.642 1.00 0.00 O ATOM 294 CB SER A 20 -3.275 5.428 8.299 1.00 0.00 C ATOM 295 OG SER A 20 -4.568 5.927 8.615 1.00 0.00 O ATOM 0 H SER A 20 -4.097 3.178 6.910 1.00 0.00 H new ATOM 0 HA SER A 20 -3.298 5.941 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.053 4.559 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.522 6.182 8.528 1.00 0.00 H new ATOM 0 HG SER A 20 -4.604 6.165 9.565 1.00 0.00 H new ATOM 301 N ILE A 21 -0.913 5.224 6.105 1.00 0.00 N ATOM 302 CA ILE A 21 0.416 4.776 5.752 1.00 0.00 C ATOM 303 C ILE A 21 1.423 5.447 6.647 1.00 0.00 C ATOM 304 O ILE A 21 1.085 6.398 7.358 1.00 0.00 O ATOM 305 CB ILE A 21 0.735 5.079 4.260 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.586 6.580 3.923 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.126 4.231 3.336 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.831 7.436 4.149 1.00 0.00 C ATOM 0 H ILE A 21 -1.047 6.230 6.008 1.00 0.00 H new ATOM 0 HA ILE A 21 0.467 3.696 5.889 1.00 0.00 H new ATOM 0 HB ILE A 21 1.780 4.815 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.289 6.671 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.228 6.989 4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.117 4.462 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.066 3.175 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.178 4.447 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.615 8.470 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.121 7.386 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.646 7.063 3.529 1.00 0.00 H new ATOM 320 N ILE A 22 2.625 4.972 6.640 1.00 0.00 N ATOM 321 CA ILE A 22 3.651 5.585 7.417 1.00 0.00 C ATOM 322 C ILE A 22 4.918 5.765 6.589 1.00 0.00 C ATOM 323 O ILE A 22 5.347 4.844 5.881 1.00 0.00 O ATOM 324 CB ILE A 22 3.910 4.831 8.755 1.00 0.00 C ATOM 325 CG1 ILE A 22 4.985 5.524 9.599 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.249 3.372 8.522 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.226 4.865 10.936 1.00 0.00 C ATOM 0 H ILE A 22 2.921 4.158 6.102 1.00 0.00 H new ATOM 0 HA ILE A 22 3.304 6.578 7.703 1.00 0.00 H new ATOM 0 HB ILE A 22 2.979 4.863 9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.920 5.541 9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.693 6.561 9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.423 2.881 9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.421 2.883 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.148 3.301 7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.999 5.411 11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.304 4.872 11.517 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.549 3.836 10.781 1.00 0.00 H new ATOM 339 N GLY A 23 5.480 6.953 6.648 1.00 0.00 N ATOM 340 CA GLY A 23 6.650 7.268 5.880 1.00 0.00 C ATOM 341 C GLY A 23 7.919 6.922 6.596 1.00 0.00 C ATOM 342 O GLY A 23 8.342 7.634 7.498 1.00 0.00 O ATOM 0 H GLY A 23 5.136 7.719 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.614 6.731 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.649 8.332 5.643 1.00 0.00 H new ATOM 346 N MET A 24 8.507 5.827 6.213 1.00 0.00 N ATOM 347 CA MET A 24 9.769 5.387 6.772 1.00 0.00 C ATOM 348 C MET A 24 10.792 5.408 5.666 1.00 0.00 C ATOM 349 O MET A 24 10.443 5.643 4.498 1.00 0.00 O ATOM 350 CB MET A 24 9.656 3.963 7.355 1.00 0.00 C ATOM 351 CG MET A 24 8.630 3.809 8.475 1.00 0.00 C ATOM 352 SD MET A 24 9.024 4.778 9.945 1.00 0.00 S ATOM 353 CE MET A 24 10.552 3.998 10.477 1.00 0.00 C ATOM 0 H MET A 24 8.129 5.204 5.500 1.00 0.00 H new ATOM 0 HA MET A 24 10.060 6.051 7.586 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.399 3.275 6.549 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.633 3.662 7.733 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.650 4.108 8.104 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.559 2.757 8.751 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.758 4.270 11.512 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.454 2.915 10.399 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.372 4.335 9.843 1.00 0.00 H new ATOM 363 N GLY A 25 12.022 5.171 5.996 1.00 0.00 N ATOM 364 CA GLY A 25 13.048 5.157 4.991 1.00 0.00 C ATOM 365 C GLY A 25 13.819 3.860 4.972 1.00 0.00 C ATOM 366 O GLY A 25 14.880 3.737 5.597 1.00 0.00 O ATOM 0 H GLY A 25 12.343 4.985 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.596 5.322 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.737 5.983 5.168 1.00 0.00 H new ATOM 370 N VAL A 26 13.296 2.893 4.268 1.00 0.00 N ATOM 371 CA VAL A 26 13.925 1.602 4.146 1.00 0.00 C ATOM 372 C VAL A 26 14.157 1.325 2.662 1.00 0.00 C ATOM 373 O VAL A 26 13.478 1.911 1.803 1.00 0.00 O ATOM 374 CB VAL A 26 13.038 0.484 4.780 1.00 0.00 C ATOM 375 CG1 VAL A 26 11.733 0.308 4.030 1.00 0.00 C ATOM 376 CG2 VAL A 26 13.782 -0.835 4.911 1.00 0.00 C ATOM 0 H VAL A 26 12.416 2.977 3.759 1.00 0.00 H new ATOM 0 HA VAL A 26 14.874 1.604 4.682 1.00 0.00 H new ATOM 0 HB VAL A 26 12.795 0.816 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.145 -0.479 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.172 1.242 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.942 0.034 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.124 -1.581 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.099 -1.174 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.657 -0.697 5.546 1.00 0.00 H new ATOM 386 N GLY A 27 15.123 0.504 2.351 1.00 0.00 N ATOM 387 CA GLY A 27 15.365 0.168 0.992 1.00 0.00 C ATOM 388 C GLY A 27 16.736 0.569 0.568 1.00 0.00 C ATOM 389 O GLY A 27 17.398 -0.156 -0.186 1.00 0.00 O ATOM 0 H GLY A 27 15.748 0.061 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.239 -0.906 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.628 0.660 0.357 1.00 0.00 H new ATOM 393 N ALA A 28 17.191 1.706 1.053 1.00 0.00 N ATOM 394 CA ALA A 28 18.517 2.202 0.717 1.00 0.00 C ATOM 395 C ALA A 28 19.540 1.398 1.478 1.00 0.00 C ATOM 396 O ALA A 28 20.651 1.165 1.007 1.00 0.00 O ATOM 397 CB ALA A 28 18.644 3.691 1.021 1.00 0.00 C ATOM 0 H ALA A 28 16.663 2.309 1.684 1.00 0.00 H new ATOM 0 HA ALA A 28 18.688 2.085 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.646 4.032 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.908 4.245 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.469 3.862 2.083 1.00 0.00 H new ATOM 403 N ASP A 29 19.128 0.941 2.644 1.00 0.00 N ATOM 404 CA ASP A 29 19.923 0.061 3.486 1.00 0.00 C ATOM 405 C ASP A 29 20.056 -1.287 2.786 1.00 0.00 C ATOM 406 O ASP A 29 21.128 -1.883 2.750 1.00 0.00 O ATOM 407 CB ASP A 29 19.240 -0.118 4.871 1.00 0.00 C ATOM 408 CG ASP A 29 17.901 -0.872 4.824 1.00 0.00 C ATOM 409 OD1 ASP A 29 17.045 -0.542 3.962 1.00 0.00 O ATOM 410 OD2 ASP A 29 17.710 -1.836 5.626 1.00 0.00 O ATOM 0 H ASP A 29 18.218 1.173 3.042 1.00 0.00 H new ATOM 0 HA ASP A 29 20.910 0.494 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.922 -0.653 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 29 19.074 0.865 5.311 1.00 0.00 H new ATOM 415 N ALA A 30 18.959 -1.711 2.178 1.00 0.00 N ATOM 416 CA ALA A 30 18.857 -2.961 1.449 1.00 0.00 C ATOM 417 C ALA A 30 19.640 -2.923 0.139 1.00 0.00 C ATOM 418 O ALA A 30 20.022 -3.966 -0.395 1.00 0.00 O ATOM 419 CB ALA A 30 17.393 -3.260 1.166 1.00 0.00 C ATOM 0 H ALA A 30 18.090 -1.177 2.180 1.00 0.00 H new ATOM 0 HA ALA A 30 19.290 -3.748 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.313 -4.199 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.850 -3.342 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 30 16.966 -2.454 0.569 1.00 0.00 H new ATOM 425 N GLY A 31 19.845 -1.726 -0.385 1.00 0.00 N ATOM 426 CA GLY A 31 20.570 -1.569 -1.631 1.00 0.00 C ATOM 427 C GLY A 31 19.654 -1.609 -2.843 1.00 0.00 C ATOM 428 O GLY A 31 20.111 -1.620 -3.987 1.00 0.00 O ATOM 0 H GLY A 31 19.521 -0.854 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.109 -0.622 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.316 -2.359 -1.716 1.00 0.00 H new ATOM 432 N LEU A 32 18.364 -1.641 -2.597 1.00 0.00 N ATOM 433 CA LEU A 32 17.378 -1.670 -3.675 1.00 0.00 C ATOM 434 C LEU A 32 16.778 -0.293 -3.879 1.00 0.00 C ATOM 435 O LEU A 32 16.376 0.059 -4.987 1.00 0.00 O ATOM 436 CB LEU A 32 16.243 -2.691 -3.403 1.00 0.00 C ATOM 437 CG LEU A 32 16.559 -4.199 -3.540 1.00 0.00 C ATOM 438 CD1 LEU A 32 17.555 -4.685 -2.505 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.278 -5.012 -3.464 1.00 0.00 C ATOM 0 H LEU A 32 17.963 -1.648 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 32 17.903 -1.983 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.878 -2.519 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.421 -2.462 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 32 17.023 -4.341 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.739 -5.750 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 32 18.491 -4.137 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.152 -4.518 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.513 -6.072 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.791 -4.835 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.609 -4.713 -4.271 1.00 0.00 H new ATOM 451 N GLU A 33 16.766 0.482 -2.793 1.00 0.00 N ATOM 452 CA GLU A 33 16.168 1.817 -2.732 1.00 0.00 C ATOM 453 C GLU A 33 14.711 1.806 -3.145 1.00 0.00 C ATOM 454 O GLU A 33 14.365 1.960 -4.321 1.00 0.00 O ATOM 455 CB GLU A 33 16.960 2.875 -3.504 1.00 0.00 C ATOM 456 CG GLU A 33 18.347 3.131 -2.956 1.00 0.00 C ATOM 457 CD GLU A 33 19.041 4.240 -3.688 1.00 0.00 C ATOM 458 OE1 GLU A 33 18.798 5.428 -3.362 1.00 0.00 O ATOM 459 OE2 GLU A 33 19.841 3.963 -4.595 1.00 0.00 O ATOM 0 H GLU A 33 17.183 0.191 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 33 16.214 2.109 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.044 2.562 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.400 3.810 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.279 3.382 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.941 2.220 -3.030 1.00 0.00 H new ATOM 466 N LYS A 34 13.859 1.604 -2.190 1.00 0.00 N ATOM 467 CA LYS A 34 12.472 1.575 -2.450 1.00 0.00 C ATOM 468 C LYS A 34 11.800 2.497 -1.482 1.00 0.00 C ATOM 469 O LYS A 34 12.464 3.221 -0.750 1.00 0.00 O ATOM 470 CB LYS A 34 11.897 0.139 -2.344 1.00 0.00 C ATOM 471 CG LYS A 34 11.983 -0.502 -0.955 1.00 0.00 C ATOM 472 CD LYS A 34 11.366 -1.904 -0.933 1.00 0.00 C ATOM 473 CE LYS A 34 9.858 -1.884 -1.219 1.00 0.00 C ATOM 474 NZ LYS A 34 9.282 -3.247 -1.277 1.00 0.00 N ATOM 0 H LYS A 34 14.114 1.456 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 34 12.287 1.904 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.851 0.161 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.425 -0.499 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.027 -0.560 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.471 0.131 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.865 -2.529 -1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.542 -2.360 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.350 -1.310 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.676 -1.374 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.527 -3.275 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.026 -3.928 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.888 -3.497 -0.348 1.00 0.00 H new ATOM 488 N LEU A 35 10.518 2.477 -1.498 1.00 0.00 N ATOM 489 CA LEU A 35 9.708 3.259 -0.617 1.00 0.00 C ATOM 490 C LEU A 35 9.789 2.679 0.788 1.00 0.00 C ATOM 491 O LEU A 35 9.991 1.468 0.959 1.00 0.00 O ATOM 492 CB LEU A 35 8.278 3.164 -1.131 1.00 0.00 C ATOM 493 CG LEU A 35 7.729 1.732 -1.202 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.848 1.395 -0.039 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.068 1.441 -2.508 1.00 0.00 C ATOM 0 H LEU A 35 9.979 1.899 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 35 10.042 4.296 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.631 3.758 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.231 3.609 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 35 8.595 1.073 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.488 0.371 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.415 1.490 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.999 2.078 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.697 0.416 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.235 2.128 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.789 1.566 -3.316 1.00 0.00 H new ATOM 507 N GLY A 36 9.661 3.510 1.768 1.00 0.00 N ATOM 508 CA GLY A 36 9.571 3.029 3.104 1.00 0.00 C ATOM 509 C GLY A 36 8.195 3.249 3.632 1.00 0.00 C ATOM 510 O GLY A 36 7.987 3.398 4.817 1.00 0.00 O ATOM 0 H GLY A 36 9.616 4.524 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.816 1.967 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.298 3.542 3.734 1.00 0.00 H new ATOM 514 N ILE A 37 7.255 3.275 2.741 1.00 0.00 N ATOM 515 CA ILE A 37 5.890 3.506 3.096 1.00 0.00 C ATOM 516 C ILE A 37 5.242 2.211 3.539 1.00 0.00 C ATOM 517 O ILE A 37 4.921 1.343 2.728 1.00 0.00 O ATOM 518 CB ILE A 37 5.083 4.103 1.929 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.772 5.364 1.369 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.665 4.419 2.389 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.860 6.519 2.330 1.00 0.00 C ATOM 0 H ILE A 37 7.413 3.136 1.743 1.00 0.00 H new ATOM 0 HA ILE A 37 5.887 4.227 3.914 1.00 0.00 H new ATOM 0 HB ILE A 37 5.036 3.368 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.780 5.098 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.232 5.690 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.099 4.841 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.181 3.504 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.700 5.138 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.360 7.358 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.856 6.819 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.428 6.218 3.210 1.00 0.00 H new ATOM 533 N PHE A 38 5.096 2.071 4.808 1.00 0.00 N ATOM 534 CA PHE A 38 4.445 0.922 5.371 1.00 0.00 C ATOM 535 C PHE A 38 3.011 1.265 5.647 1.00 0.00 C ATOM 536 O PHE A 38 2.621 2.435 5.561 1.00 0.00 O ATOM 537 CB PHE A 38 5.123 0.486 6.668 1.00 0.00 C ATOM 538 CG PHE A 38 6.500 -0.088 6.502 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.669 -1.444 6.274 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.619 0.717 6.586 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.930 -1.986 6.128 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.885 0.183 6.444 1.00 0.00 C ATOM 543 CZ PHE A 38 9.040 -1.171 6.214 1.00 0.00 C ATOM 0 H PHE A 38 5.423 2.749 5.496 1.00 0.00 H new ATOM 0 HA PHE A 38 4.510 0.098 4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.182 1.345 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.493 -0.256 7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.803 -2.086 6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.503 1.776 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.047 -3.044 5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.753 0.823 6.513 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.029 -1.591 6.102 1.00 0.00 H new ATOM 553 N VAL A 39 2.226 0.280 5.955 1.00 0.00 N ATOM 554 CA VAL A 39 0.869 0.522 6.329 1.00 0.00 C ATOM 555 C VAL A 39 0.862 0.875 7.810 1.00 0.00 C ATOM 556 O VAL A 39 1.475 0.186 8.619 1.00 0.00 O ATOM 557 CB VAL A 39 -0.045 -0.702 6.059 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.491 -0.360 6.348 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.099 -1.181 4.623 1.00 0.00 C ATOM 0 H VAL A 39 2.503 -0.702 5.955 1.00 0.00 H new ATOM 0 HA VAL A 39 0.469 1.338 5.726 1.00 0.00 H new ATOM 0 HB VAL A 39 0.267 -1.507 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.117 -1.231 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.594 -0.066 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.805 0.464 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.552 -2.040 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.181 -0.378 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.134 -1.469 4.438 1.00 0.00 H new ATOM 569 N LYS A 40 0.224 1.956 8.137 1.00 0.00 N ATOM 570 CA LYS A 40 0.177 2.448 9.494 1.00 0.00 C ATOM 571 C LYS A 40 -1.058 1.935 10.193 1.00 0.00 C ATOM 572 O LYS A 40 -0.994 1.457 11.320 1.00 0.00 O ATOM 573 CB LYS A 40 0.183 3.979 9.479 1.00 0.00 C ATOM 574 CG LYS A 40 0.002 4.650 10.819 1.00 0.00 C ATOM 575 CD LYS A 40 1.073 4.263 11.813 1.00 0.00 C ATOM 576 CE LYS A 40 0.803 4.946 13.122 1.00 0.00 C ATOM 577 NZ LYS A 40 1.786 4.589 14.160 1.00 0.00 N ATOM 0 H LYS A 40 -0.286 2.533 7.468 1.00 0.00 H new ATOM 0 HA LYS A 40 1.052 2.091 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.127 4.316 9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.610 4.320 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.011 5.732 10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.976 4.388 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.085 3.182 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.055 4.548 11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.813 6.026 12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.197 4.681 13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.555 5.087 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.760 3.562 14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.738 4.865 13.846 1.00 0.00 H new ATOM 591 N THR A 41 -2.169 2.028 9.524 1.00 0.00 N ATOM 592 CA THR A 41 -3.422 1.595 10.069 1.00 0.00 C ATOM 593 C THR A 41 -4.283 1.186 8.890 1.00 0.00 C ATOM 594 O THR A 41 -4.017 1.595 7.754 1.00 0.00 O ATOM 595 CB THR A 41 -4.154 2.752 10.785 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.224 3.620 11.466 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.139 2.228 11.814 1.00 0.00 C ATOM 0 H THR A 41 -2.232 2.408 8.580 1.00 0.00 H new ATOM 0 HA THR A 41 -3.250 0.791 10.784 1.00 0.00 H new ATOM 0 HB THR A 41 -4.683 3.307 10.011 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.715 4.343 11.908 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.638 3.066 12.300 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.881 1.601 11.321 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.606 1.640 12.561 1.00 0.00 H new ATOM 605 N VAL A 42 -5.296 0.430 9.148 1.00 0.00 N ATOM 606 CA VAL A 42 -6.219 0.000 8.163 1.00 0.00 C ATOM 607 C VAL A 42 -7.563 0.142 8.820 1.00 0.00 C ATOM 608 O VAL A 42 -7.675 -0.096 10.024 1.00 0.00 O ATOM 609 CB VAL A 42 -6.016 -1.488 7.735 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.952 -1.830 6.612 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.598 -1.760 7.296 1.00 0.00 C ATOM 0 H VAL A 42 -5.508 0.085 10.084 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.099 0.588 7.253 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.228 -2.108 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.804 -2.869 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.982 -1.688 6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.751 -1.181 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.501 -2.806 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.352 -1.124 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.915 -1.546 8.118 1.00 0.00 H new ATOM 621 N THR A 43 -8.548 0.564 8.101 1.00 0.00 N ATOM 622 CA THR A 43 -9.830 0.754 8.691 1.00 0.00 C ATOM 623 C THR A 43 -10.593 -0.582 8.741 1.00 0.00 C ATOM 624 O THR A 43 -10.401 -1.475 7.878 1.00 0.00 O ATOM 625 CB THR A 43 -10.664 1.802 7.909 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.852 2.154 8.632 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.055 1.248 6.570 1.00 0.00 C ATOM 0 H THR A 43 -8.491 0.783 7.107 1.00 0.00 H new ATOM 0 HA THR A 43 -9.678 1.126 9.704 1.00 0.00 H new ATOM 0 HB THR A 43 -10.050 2.693 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.361 2.817 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.641 1.989 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.158 1.005 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.651 0.346 6.709 1.00 0.00 H new ATOM 635 N GLU A 44 -11.422 -0.721 9.731 1.00 0.00 N ATOM 636 CA GLU A 44 -12.294 -1.856 9.850 1.00 0.00 C ATOM 637 C GLU A 44 -13.617 -1.479 9.204 1.00 0.00 C ATOM 638 O GLU A 44 -14.412 -2.319 8.787 1.00 0.00 O ATOM 639 CB GLU A 44 -12.516 -2.184 11.310 1.00 0.00 C ATOM 640 CG GLU A 44 -13.276 -3.461 11.515 1.00 0.00 C ATOM 641 CD GLU A 44 -12.500 -4.673 11.039 1.00 0.00 C ATOM 642 OE1 GLU A 44 -11.665 -5.192 11.814 1.00 0.00 O ATOM 643 OE2 GLU A 44 -12.686 -5.112 9.896 1.00 0.00 O ATOM 0 H GLU A 44 -11.515 -0.044 10.488 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.858 -2.729 9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.551 -2.258 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.058 -1.365 11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.512 -3.575 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.225 -3.407 10.981 1.00 0.00 H new ATOM 650 N GLY A 45 -13.804 -0.188 9.085 1.00 0.00 N ATOM 651 CA GLY A 45 -14.993 0.394 8.484 1.00 0.00 C ATOM 652 C GLY A 45 -14.976 0.360 6.983 1.00 0.00 C ATOM 653 O GLY A 45 -15.626 1.175 6.316 1.00 0.00 O ATOM 0 H GLY A 45 -13.128 0.505 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -15.872 -0.141 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.091 1.427 8.816 1.00 0.00 H new ATOM 657 N GLY A 46 -14.260 -0.566 6.459 1.00 0.00 N ATOM 658 CA GLY A 46 -14.164 -0.740 5.115 1.00 0.00 C ATOM 659 C GLY A 46 -13.779 -2.140 4.844 1.00 0.00 C ATOM 660 O GLY A 46 -13.184 -2.806 5.700 1.00 0.00 O ATOM 0 H GLY A 46 -13.715 -1.234 7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.116 -0.510 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.424 -0.057 4.698 1.00 0.00 H new ATOM 664 N ALA A 47 -14.045 -2.550 3.661 1.00 0.00 N ATOM 665 CA ALA A 47 -13.818 -3.915 3.148 1.00 0.00 C ATOM 666 C ALA A 47 -12.318 -4.307 3.022 1.00 0.00 C ATOM 667 O ALA A 47 -11.960 -5.110 2.195 1.00 0.00 O ATOM 668 CB ALA A 47 -14.475 -4.021 1.798 1.00 0.00 C ATOM 0 H ALA A 47 -14.451 -1.933 2.958 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.248 -4.607 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.321 -5.023 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.543 -3.830 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.036 -3.288 1.121 1.00 0.00 H new ATOM 674 N ALA A 48 -11.477 -3.760 3.866 1.00 0.00 N ATOM 675 CA ALA A 48 -10.054 -4.049 3.839 1.00 0.00 C ATOM 676 C ALA A 48 -9.744 -5.095 4.885 1.00 0.00 C ATOM 677 O ALA A 48 -9.338 -6.209 4.568 1.00 0.00 O ATOM 678 CB ALA A 48 -9.248 -2.785 4.085 1.00 0.00 C ATOM 0 H ALA A 48 -11.755 -3.101 4.593 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.779 -4.431 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.184 -3.021 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.474 -2.053 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.506 -2.373 5.060 1.00 0.00 H new ATOM 684 N GLN A 49 -9.977 -4.748 6.134 1.00 0.00 N ATOM 685 CA GLN A 49 -9.787 -5.700 7.223 1.00 0.00 C ATOM 686 C GLN A 49 -10.934 -6.678 7.236 1.00 0.00 C ATOM 687 O GLN A 49 -10.793 -7.834 7.633 1.00 0.00 O ATOM 688 CB GLN A 49 -9.660 -4.989 8.546 1.00 0.00 C ATOM 689 CG GLN A 49 -8.386 -4.189 8.679 1.00 0.00 C ATOM 690 CD GLN A 49 -8.212 -3.551 10.040 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.087 -3.349 10.502 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.296 -3.245 10.691 1.00 0.00 N ATOM 0 H GLN A 49 -10.296 -3.824 6.425 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.858 -6.247 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.513 -4.323 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.704 -5.723 9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.535 -4.841 8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.375 -3.409 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.209 -3.428 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.233 -2.822 11.617 1.00 0.00 H new ATOM 701 N ARG A 50 -12.069 -6.195 6.770 1.00 0.00 N ATOM 702 CA ARG A 50 -13.238 -7.011 6.554 1.00 0.00 C ATOM 703 C ARG A 50 -12.940 -8.063 5.483 1.00 0.00 C ATOM 704 O ARG A 50 -13.466 -9.178 5.530 1.00 0.00 O ATOM 705 CB ARG A 50 -14.395 -6.117 6.145 1.00 0.00 C ATOM 706 CG ARG A 50 -14.979 -5.293 7.287 1.00 0.00 C ATOM 707 CD ARG A 50 -15.881 -6.146 8.157 1.00 0.00 C ATOM 708 NE ARG A 50 -17.039 -6.605 7.375 1.00 0.00 N ATOM 709 CZ ARG A 50 -17.620 -7.810 7.445 1.00 0.00 C ATOM 710 NH1 ARG A 50 -17.199 -8.717 8.315 1.00 0.00 N ATOM 711 NH2 ARG A 50 -18.621 -8.101 6.629 1.00 0.00 N ATOM 0 H ARG A 50 -12.202 -5.213 6.529 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.510 -7.534 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.058 -5.441 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.184 -6.735 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.173 -4.876 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.544 -4.452 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.327 -7.003 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.218 -5.572 9.020 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.439 -5.940 6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.424 -8.501 8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.650 -9.631 8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.945 -7.410 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.068 -9.017 6.677 1.00 0.00 H new ATOM 725 N ASP A 51 -12.089 -7.706 4.519 1.00 0.00 N ATOM 726 CA ASP A 51 -11.629 -8.672 3.516 1.00 0.00 C ATOM 727 C ASP A 51 -10.703 -9.664 4.192 1.00 0.00 C ATOM 728 O ASP A 51 -11.001 -10.866 4.275 1.00 0.00 O ATOM 729 CB ASP A 51 -10.886 -7.986 2.373 1.00 0.00 C ATOM 730 CG ASP A 51 -10.354 -8.968 1.356 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.259 -9.539 1.567 1.00 0.00 O ATOM 732 OD2 ASP A 51 -11.021 -9.205 0.333 1.00 0.00 O ATOM 0 H ASP A 51 -11.707 -6.766 4.411 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.499 -9.175 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.556 -7.283 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.058 -7.405 2.779 1.00 0.00 H new ATOM 737 N GLY A 52 -9.591 -9.158 4.693 1.00 0.00 N ATOM 738 CA GLY A 52 -8.688 -9.980 5.448 1.00 0.00 C ATOM 739 C GLY A 52 -7.406 -10.364 4.735 1.00 0.00 C ATOM 740 O GLY A 52 -6.457 -10.785 5.388 1.00 0.00 O ATOM 0 H GLY A 52 -9.300 -8.186 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.429 -9.455 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.210 -10.892 5.737 1.00 0.00 H new ATOM 744 N ARG A 53 -7.346 -10.239 3.415 1.00 0.00 N ATOM 745 CA ARG A 53 -6.129 -10.649 2.700 1.00 0.00 C ATOM 746 C ARG A 53 -5.067 -9.553 2.836 1.00 0.00 C ATOM 747 O ARG A 53 -3.864 -9.814 2.773 1.00 0.00 O ATOM 748 CB ARG A 53 -6.446 -10.946 1.210 1.00 0.00 C ATOM 749 CG ARG A 53 -5.565 -12.021 0.543 1.00 0.00 C ATOM 750 CD ARG A 53 -4.128 -11.589 0.362 1.00 0.00 C ATOM 751 NE ARG A 53 -3.284 -12.666 -0.157 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.023 -12.899 0.244 1.00 0.00 C ATOM 753 NH1 ARG A 53 -1.483 -12.161 1.211 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.316 -13.881 -0.299 1.00 0.00 N ATOM 0 H ARG A 53 -8.094 -9.871 2.828 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.741 -11.568 3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.488 -11.257 1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.348 -10.019 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.591 -12.928 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.986 -12.274 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.090 -10.740 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.731 -11.248 1.318 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.679 -13.280 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.027 -11.417 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.526 -12.339 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.729 -14.465 -1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.359 -14.052 0.010 1.00 0.00 H new ATOM 768 N ILE A 54 -5.520 -8.347 3.041 1.00 0.00 N ATOM 769 CA ILE A 54 -4.632 -7.232 3.181 1.00 0.00 C ATOM 770 C ILE A 54 -4.380 -7.028 4.681 1.00 0.00 C ATOM 771 O ILE A 54 -5.247 -7.375 5.516 1.00 0.00 O ATOM 772 CB ILE A 54 -5.246 -5.958 2.519 1.00 0.00 C ATOM 773 CG1 ILE A 54 -4.152 -4.963 2.132 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.267 -5.293 3.448 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.657 -3.804 1.295 1.00 0.00 C ATOM 0 H ILE A 54 -6.510 -8.113 3.115 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.686 -7.422 2.673 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.763 -6.272 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.690 -4.572 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.373 -5.488 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.679 -4.408 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.072 -5.995 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.778 -5.002 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.827 -3.138 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.093 -4.185 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.414 -3.254 1.854 1.00 0.00 H new ATOM 787 N GLN A 55 -3.228 -6.513 5.039 1.00 0.00 N ATOM 788 CA GLN A 55 -2.893 -6.367 6.434 1.00 0.00 C ATOM 789 C GLN A 55 -2.254 -5.020 6.717 1.00 0.00 C ATOM 790 O GLN A 55 -1.809 -4.321 5.807 1.00 0.00 O ATOM 791 CB GLN A 55 -1.938 -7.469 6.888 1.00 0.00 C ATOM 792 CG GLN A 55 -2.478 -8.887 6.806 1.00 0.00 C ATOM 793 CD GLN A 55 -1.435 -9.928 7.170 1.00 0.00 C ATOM 794 OE1 GLN A 55 -1.763 -10.975 7.724 1.00 0.00 O ATOM 795 NE2 GLN A 55 -0.189 -9.695 6.806 1.00 0.00 N ATOM 0 H GLN A 55 -2.512 -6.190 4.388 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.828 -6.441 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.032 -7.410 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.648 -7.270 7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.334 -8.986 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.839 -9.077 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.053 -8.816 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.533 -10.394 6.983 1.00 0.00 H new ATOM 804 N VAL A 56 -2.180 -4.690 7.996 1.00 0.00 N ATOM 805 CA VAL A 56 -1.577 -3.449 8.464 1.00 0.00 C ATOM 806 C VAL A 56 -0.068 -3.654 8.649 1.00 0.00 C ATOM 807 O VAL A 56 0.705 -2.707 8.764 1.00 0.00 O ATOM 808 CB VAL A 56 -2.223 -3.006 9.824 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.838 -3.932 10.981 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.912 -1.555 10.157 1.00 0.00 C ATOM 0 H VAL A 56 -2.539 -5.280 8.747 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.753 -2.668 7.724 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.301 -3.089 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.310 -3.583 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.174 -4.946 10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.755 -3.928 11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.379 -1.291 11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.833 -1.423 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.301 -0.910 9.370 1.00 0.00 H new ATOM 820 N ASN A 57 0.343 -4.903 8.614 1.00 0.00 N ATOM 821 CA ASN A 57 1.728 -5.273 8.883 1.00 0.00 C ATOM 822 C ASN A 57 2.533 -5.342 7.578 1.00 0.00 C ATOM 823 O ASN A 57 3.724 -5.673 7.555 1.00 0.00 O ATOM 824 CB ASN A 57 1.756 -6.624 9.631 1.00 0.00 C ATOM 825 CG ASN A 57 3.138 -7.053 10.119 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.880 -7.757 9.423 1.00 0.00 O ATOM 827 ND2 ASN A 57 3.488 -6.652 11.311 1.00 0.00 N ATOM 0 H ASN A 57 -0.266 -5.693 8.400 1.00 0.00 H new ATOM 0 HA ASN A 57 2.192 -4.513 9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.085 -6.564 10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.362 -7.397 8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.396 -6.919 11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.854 -6.072 11.861 1.00 0.00 H new ATOM 834 N ASP A 58 1.891 -5.003 6.500 1.00 0.00 N ATOM 835 CA ASP A 58 2.522 -5.078 5.206 1.00 0.00 C ATOM 836 C ASP A 58 2.973 -3.719 4.707 1.00 0.00 C ATOM 837 O ASP A 58 2.884 -2.709 5.435 1.00 0.00 O ATOM 838 CB ASP A 58 1.625 -5.784 4.200 1.00 0.00 C ATOM 839 CG ASP A 58 1.486 -7.255 4.505 1.00 0.00 C ATOM 840 OD1 ASP A 58 2.440 -8.006 4.268 1.00 0.00 O ATOM 841 OD2 ASP A 58 0.431 -7.683 4.995 1.00 0.00 O ATOM 0 H ASP A 58 0.927 -4.670 6.486 1.00 0.00 H new ATOM 0 HA ASP A 58 3.425 -5.677 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.640 -5.318 4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.034 -5.658 3.198 1.00 0.00 H new ATOM 846 N GLN A 59 3.457 -3.684 3.488 1.00 0.00 N ATOM 847 CA GLN A 59 4.005 -2.484 2.900 1.00 0.00 C ATOM 848 C GLN A 59 3.373 -2.243 1.533 1.00 0.00 C ATOM 849 O GLN A 59 3.311 -3.160 0.719 1.00 0.00 O ATOM 850 CB GLN A 59 5.516 -2.661 2.737 1.00 0.00 C ATOM 851 CG GLN A 59 6.224 -1.418 2.261 1.00 0.00 C ATOM 852 CD GLN A 59 7.709 -1.594 2.048 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.195 -2.663 1.679 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.437 -0.545 2.286 1.00 0.00 N ATOM 0 H GLN A 59 3.482 -4.495 2.870 1.00 0.00 H new ATOM 0 HA GLN A 59 3.795 -1.631 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.942 -2.968 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.704 -3.469 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.770 -1.091 1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.065 -0.622 2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.996 0.323 2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.449 -0.589 2.168 1.00 0.00 H new ATOM 863 N ILE A 60 2.923 -1.025 1.276 1.00 0.00 N ATOM 864 CA ILE A 60 2.308 -0.694 -0.006 1.00 0.00 C ATOM 865 C ILE A 60 3.414 -0.570 -1.058 1.00 0.00 C ATOM 866 O ILE A 60 4.156 0.391 -1.055 1.00 0.00 O ATOM 867 CB ILE A 60 1.546 0.665 0.038 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.477 0.701 1.144 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.902 0.943 -1.308 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.590 -0.372 1.032 1.00 0.00 C ATOM 0 H ILE A 60 2.971 -0.248 1.935 1.00 0.00 H new ATOM 0 HA ILE A 60 1.596 -1.484 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 60 2.279 1.439 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.971 0.603 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.007 1.678 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.372 1.894 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.673 0.989 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.198 0.145 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.299 -0.268 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.116 -0.265 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.123 -1.356 1.079 1.00 0.00 H new ATOM 882 N VAL A 61 3.521 -1.533 -1.931 1.00 0.00 N ATOM 883 CA VAL A 61 4.582 -1.529 -2.927 1.00 0.00 C ATOM 884 C VAL A 61 4.161 -0.760 -4.190 1.00 0.00 C ATOM 885 O VAL A 61 4.919 0.059 -4.717 1.00 0.00 O ATOM 886 CB VAL A 61 5.032 -2.980 -3.254 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.071 -3.019 -4.341 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.544 -3.672 -1.996 1.00 0.00 C ATOM 0 H VAL A 61 2.892 -2.335 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 61 5.441 -1.004 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 61 4.159 -3.517 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.355 -4.053 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.663 -2.577 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.949 -2.455 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.856 -4.687 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.393 -3.118 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.750 -3.706 -1.250 1.00 0.00 H new ATOM 898 N GLU A 62 2.957 -1.001 -4.651 1.00 0.00 N ATOM 899 CA GLU A 62 2.430 -0.316 -5.809 1.00 0.00 C ATOM 900 C GLU A 62 0.911 -0.333 -5.793 1.00 0.00 C ATOM 901 O GLU A 62 0.303 -1.385 -5.753 1.00 0.00 O ATOM 902 CB GLU A 62 2.954 -0.940 -7.107 1.00 0.00 C ATOM 903 CG GLU A 62 2.355 -0.330 -8.349 1.00 0.00 C ATOM 904 CD GLU A 62 2.840 -0.964 -9.604 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.251 -1.949 -10.047 1.00 0.00 O ATOM 906 OE2 GLU A 62 3.798 -0.478 -10.175 1.00 0.00 O ATOM 0 H GLU A 62 2.315 -1.676 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 62 2.770 0.719 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.038 -0.829 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.743 -2.009 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.269 -0.417 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.589 0.734 -8.373 1.00 0.00 H new ATOM 913 N VAL A 63 0.308 0.827 -5.792 1.00 0.00 N ATOM 914 CA VAL A 63 -1.127 0.928 -5.844 1.00 0.00 C ATOM 915 C VAL A 63 -1.598 1.537 -7.157 1.00 0.00 C ATOM 916 O VAL A 63 -1.040 2.529 -7.614 1.00 0.00 O ATOM 917 CB VAL A 63 -1.692 1.697 -4.616 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.061 2.272 -4.911 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.798 0.731 -3.465 1.00 0.00 C ATOM 0 H VAL A 63 0.794 1.723 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.525 -0.086 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.024 2.524 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.429 2.804 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.992 2.963 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.749 1.464 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.193 1.249 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.467 -0.086 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.811 0.330 -3.234 1.00 0.00 H new ATOM 929 N ASP A 64 -2.544 0.841 -7.795 1.00 0.00 N ATOM 930 CA ASP A 64 -3.258 1.272 -9.037 1.00 0.00 C ATOM 931 C ASP A 64 -2.299 1.325 -10.245 1.00 0.00 C ATOM 932 O ASP A 64 -2.656 1.725 -11.350 1.00 0.00 O ATOM 933 CB ASP A 64 -3.983 2.637 -8.823 1.00 0.00 C ATOM 934 CG ASP A 64 -5.066 2.935 -9.862 1.00 0.00 C ATOM 935 OD1 ASP A 64 -4.770 3.525 -10.925 1.00 0.00 O ATOM 936 OD2 ASP A 64 -6.258 2.583 -9.614 1.00 0.00 O ATOM 0 H ASP A 64 -2.856 -0.071 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.020 0.525 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.434 2.646 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.243 3.437 -8.844 1.00 0.00 H new ATOM 941 N GLY A 65 -1.098 0.849 -10.028 1.00 0.00 N ATOM 942 CA GLY A 65 -0.067 0.905 -11.023 1.00 0.00 C ATOM 943 C GLY A 65 0.620 2.255 -11.028 1.00 0.00 C ATOM 944 O GLY A 65 1.237 2.647 -12.018 1.00 0.00 O ATOM 0 H GLY A 65 -0.811 0.411 -9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.667 0.122 -10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.496 0.709 -12.006 1.00 0.00 H new ATOM 948 N ILE A 66 0.507 2.985 -9.921 1.00 0.00 N ATOM 949 CA ILE A 66 1.117 4.297 -9.813 1.00 0.00 C ATOM 950 C ILE A 66 2.618 4.163 -9.508 1.00 0.00 C ATOM 951 O ILE A 66 3.415 5.040 -9.835 1.00 0.00 O ATOM 952 CB ILE A 66 0.395 5.167 -8.723 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.500 6.641 -9.103 1.00 0.00 C ATOM 954 CG2 ILE A 66 1.002 4.937 -7.331 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.277 7.560 -8.206 1.00 0.00 C ATOM 0 H ILE A 66 -0.002 2.686 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 66 1.005 4.808 -10.769 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.653 4.869 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.549 6.936 -9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.149 6.767 -10.127 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.480 5.554 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.900 3.887 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.058 5.207 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.151 8.589 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.334 7.294 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.088 7.465 -7.183 1.00 0.00 H new ATOM 967 N SER A 67 2.975 3.011 -8.948 1.00 0.00 N ATOM 968 CA SER A 67 4.330 2.673 -8.486 1.00 0.00 C ATOM 969 C SER A 67 4.928 3.775 -7.624 1.00 0.00 C ATOM 970 O SER A 67 5.689 4.606 -8.088 1.00 0.00 O ATOM 971 CB SER A 67 5.266 2.242 -9.642 1.00 0.00 C ATOM 972 OG SER A 67 5.356 3.247 -10.657 1.00 0.00 O ATOM 0 H SER A 67 2.308 2.255 -8.795 1.00 0.00 H new ATOM 0 HA SER A 67 4.231 1.797 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.260 2.035 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.898 1.314 -10.081 1.00 0.00 H new ATOM 0 HG SER A 67 4.822 4.026 -10.395 1.00 0.00 H new ATOM 978 N LEU A 68 4.567 3.776 -6.375 1.00 0.00 N ATOM 979 CA LEU A 68 4.982 4.806 -5.453 1.00 0.00 C ATOM 980 C LEU A 68 6.342 4.465 -4.807 1.00 0.00 C ATOM 981 O LEU A 68 6.678 4.898 -3.706 1.00 0.00 O ATOM 982 CB LEU A 68 3.831 5.104 -4.438 1.00 0.00 C ATOM 983 CG LEU A 68 3.373 4.043 -3.383 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.209 2.637 -3.899 1.00 0.00 C ATOM 985 CD2 LEU A 68 4.143 4.110 -2.075 1.00 0.00 C ATOM 0 H LEU A 68 3.972 3.060 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 68 5.161 5.737 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.121 5.996 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.951 5.366 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 68 2.354 4.354 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.889 1.986 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.459 2.625 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.160 2.282 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.770 3.345 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.202 3.940 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.010 5.093 -1.624 1.00 0.00 H new ATOM 997 N VAL A 69 7.148 3.762 -5.560 1.00 0.00 N ATOM 998 CA VAL A 69 8.446 3.343 -5.123 1.00 0.00 C ATOM 999 C VAL A 69 9.398 4.531 -5.139 1.00 0.00 C ATOM 1000 O VAL A 69 9.817 5.000 -6.204 1.00 0.00 O ATOM 1001 CB VAL A 69 9.001 2.179 -5.995 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.332 1.671 -5.459 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.985 1.034 -6.095 1.00 0.00 C ATOM 0 H VAL A 69 6.914 3.463 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 69 8.358 2.965 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 69 9.172 2.572 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.692 0.859 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.059 2.483 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.199 1.307 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.398 0.234 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.769 0.651 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.065 1.402 -6.549 1.00 0.00 H new ATOM 1013 N GLY A 70 9.673 5.048 -3.963 1.00 0.00 N ATOM 1014 CA GLY A 70 10.565 6.163 -3.826 1.00 0.00 C ATOM 1015 C GLY A 70 9.816 7.455 -3.589 1.00 0.00 C ATOM 1016 O GLY A 70 10.286 8.530 -3.958 1.00 0.00 O ATOM 0 H GLY A 70 9.285 4.706 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.249 5.982 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.173 6.255 -4.726 1.00 0.00 H new ATOM 1020 N VAL A 71 8.631 7.363 -3.013 1.00 0.00 N ATOM 1021 CA VAL A 71 7.868 8.558 -2.710 1.00 0.00 C ATOM 1022 C VAL A 71 7.763 8.742 -1.206 1.00 0.00 C ATOM 1023 O VAL A 71 8.106 7.836 -0.433 1.00 0.00 O ATOM 1024 CB VAL A 71 6.440 8.548 -3.314 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.474 8.245 -4.804 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.524 7.585 -2.569 1.00 0.00 C ATOM 0 H VAL A 71 8.182 6.486 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 71 8.409 9.386 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 71 6.025 9.548 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.458 8.245 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.062 9.006 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.926 7.267 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.532 7.604 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.931 6.576 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.453 7.885 -1.524 1.00 0.00 H new ATOM 1036 N THR A 72 7.271 9.877 -0.815 1.00 0.00 N ATOM 1037 CA THR A 72 7.104 10.226 0.556 1.00 0.00 C ATOM 1038 C THR A 72 5.720 9.886 1.043 1.00 0.00 C ATOM 1039 O THR A 72 4.833 9.517 0.246 1.00 0.00 O ATOM 1040 CB THR A 72 7.355 11.714 0.711 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.730 12.391 -0.400 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.848 11.993 0.743 1.00 0.00 C ATOM 0 H THR A 72 6.967 10.605 -1.462 1.00 0.00 H new ATOM 0 HA THR A 72 7.814 9.656 1.155 1.00 0.00 H new ATOM 0 HB THR A 72 6.932 12.076 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.191 13.139 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.016 13.064 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.299 11.466 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.302 11.650 -0.186 1.00 0.00 H new ATOM 1050 N GLN A 73 5.518 10.025 2.351 1.00 0.00 N ATOM 1051 CA GLN A 73 4.244 9.716 2.953 1.00 0.00 C ATOM 1052 C GLN A 73 3.126 10.590 2.391 1.00 0.00 C ATOM 1053 O GLN A 73 2.009 10.149 2.293 1.00 0.00 O ATOM 1054 CB GLN A 73 4.287 9.736 4.522 1.00 0.00 C ATOM 1055 CG GLN A 73 3.699 10.972 5.238 1.00 0.00 C ATOM 1056 CD GLN A 73 4.578 12.211 5.240 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.432 12.343 4.284 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 4.505 13.023 6.153 1.00 0.00 N flip ATOM 0 H GLN A 73 6.228 10.351 3.007 1.00 0.00 H new ATOM 0 HA GLN A 73 4.015 8.687 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.757 8.855 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.327 9.632 4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.749 11.224 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.481 10.701 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.819 12.894 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.130 13.829 6.170 1.00 0.00 H new ATOM 1067 N ASN A 74 3.459 11.803 1.946 1.00 0.00 N ATOM 1068 CA ASN A 74 2.433 12.702 1.428 1.00 0.00 C ATOM 1069 C ASN A 74 1.959 12.239 0.058 1.00 0.00 C ATOM 1070 O ASN A 74 0.773 12.320 -0.251 1.00 0.00 O ATOM 1071 CB ASN A 74 2.883 14.185 1.388 1.00 0.00 C ATOM 1072 CG ASN A 74 3.995 14.477 0.403 1.00 0.00 C ATOM 1073 OD1 ASN A 74 5.199 14.567 0.878 1.00 0.00 O flip ATOM 1074 ND2 ASN A 74 3.745 14.696 -0.778 1.00 0.00 N flip ATOM 0 H ASN A 74 4.408 12.177 1.934 1.00 0.00 H new ATOM 0 HA ASN A 74 1.598 12.658 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.022 14.806 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.211 14.479 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.787 14.616 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.495 14.958 -1.418 1.00 0.00 H new ATOM 1081 N PHE A 75 2.877 11.704 -0.746 1.00 0.00 N ATOM 1082 CA PHE A 75 2.516 11.198 -2.055 1.00 0.00 C ATOM 1083 C PHE A 75 1.704 9.944 -1.861 1.00 0.00 C ATOM 1084 O PHE A 75 0.612 9.804 -2.410 1.00 0.00 O ATOM 1085 CB PHE A 75 3.764 10.874 -2.892 1.00 0.00 C ATOM 1086 CG PHE A 75 3.467 10.467 -4.334 1.00 0.00 C ATOM 1087 CD1 PHE A 75 3.028 9.178 -4.647 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.638 11.368 -5.367 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.768 8.811 -5.951 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.377 11.001 -6.675 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.942 9.722 -6.964 1.00 0.00 C ATOM 0 H PHE A 75 3.865 11.613 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 75 1.945 11.958 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.418 11.746 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.314 10.068 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.890 8.457 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.979 12.370 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.429 7.810 -6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.514 11.716 -7.472 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.739 9.439 -7.986 1.00 0.00 H new ATOM 1101 N ALA A 76 2.235 9.046 -1.037 1.00 0.00 N ATOM 1102 CA ALA A 76 1.598 7.777 -0.780 1.00 0.00 C ATOM 1103 C ALA A 76 0.203 7.949 -0.197 1.00 0.00 C ATOM 1104 O ALA A 76 -0.738 7.338 -0.678 1.00 0.00 O ATOM 1105 CB ALA A 76 2.455 6.925 0.113 1.00 0.00 C ATOM 0 H ALA A 76 3.113 9.184 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 76 1.484 7.268 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.957 5.973 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.416 6.746 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.614 7.438 1.062 1.00 0.00 H new ATOM 1111 N ALA A 77 0.066 8.821 0.803 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.232 9.075 1.429 1.00 0.00 C ATOM 1113 C ALA A 77 -2.226 9.583 0.405 1.00 0.00 C ATOM 1114 O ALA A 77 -3.389 9.257 0.465 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.110 10.058 2.579 1.00 0.00 C ATOM 0 H ALA A 77 0.836 9.362 1.196 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.595 8.130 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.092 10.224 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.436 9.653 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.714 11.004 2.209 1.00 0.00 H new ATOM 1121 N THR A 78 -1.735 10.345 -0.553 1.00 0.00 N ATOM 1122 CA THR A 78 -2.547 10.849 -1.623 1.00 0.00 C ATOM 1123 C THR A 78 -3.054 9.693 -2.518 1.00 0.00 C ATOM 1124 O THR A 78 -4.242 9.646 -2.865 1.00 0.00 O ATOM 1125 CB THR A 78 -1.754 11.887 -2.447 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.421 13.016 -1.610 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.536 12.351 -3.661 1.00 0.00 C ATOM 0 H THR A 78 -0.756 10.628 -0.604 1.00 0.00 H new ATOM 0 HA THR A 78 -3.420 11.344 -1.198 1.00 0.00 H new ATOM 0 HB THR A 78 -0.841 11.412 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.756 12.744 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.947 13.081 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.754 11.497 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.471 12.810 -3.338 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.170 8.762 -2.853 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.536 7.602 -3.670 1.00 0.00 C ATOM 1137 C VAL A 79 -3.583 6.769 -2.951 1.00 0.00 C ATOM 1138 O VAL A 79 -4.659 6.524 -3.484 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.322 6.699 -4.002 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.724 5.583 -4.952 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.198 7.518 -4.579 1.00 0.00 C ATOM 0 H VAL A 79 -1.190 8.784 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.931 7.992 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.971 6.242 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.856 4.961 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.500 4.973 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.105 6.013 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.647 6.868 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.536 8.007 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.110 8.273 -3.856 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.282 6.400 -1.710 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.190 5.596 -0.868 1.00 0.00 C ATOM 1153 C LEU A 80 -5.477 6.388 -0.464 1.00 0.00 C ATOM 1154 O LEU A 80 -6.348 5.879 0.238 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.461 5.052 0.402 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.390 3.920 0.229 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.943 2.726 -0.502 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.121 4.396 -0.441 1.00 0.00 C ATOM 0 H LEU A 80 -2.405 6.645 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.503 4.746 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.974 5.896 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.223 4.683 1.088 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.128 3.618 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.167 1.967 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.784 2.315 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.279 3.030 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.422 3.564 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.356 4.780 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.669 5.187 0.157 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.545 7.637 -0.880 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.712 8.489 -0.685 1.00 0.00 C ATOM 1172 C ARG A 81 -7.546 8.521 -1.964 1.00 0.00 C ATOM 1173 O ARG A 81 -8.764 8.584 -1.924 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.237 9.916 -0.246 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.266 11.060 -0.246 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.461 11.654 -1.644 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.415 12.760 -1.668 1.00 0.00 N ATOM 1178 CZ ARG A 81 -9.080 13.179 -2.756 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -8.942 12.541 -3.917 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.874 14.234 -2.678 1.00 0.00 N ATOM 0 H ARG A 81 -4.781 8.100 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.349 8.092 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.830 9.835 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.415 10.208 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.221 10.689 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.939 11.843 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.500 12.003 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.804 10.871 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.589 13.251 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.328 11.729 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.450 12.864 -4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.980 14.728 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.380 14.554 -3.504 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.867 8.454 -3.094 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.504 8.560 -4.410 1.00 0.00 C ATOM 1196 C ASN A 82 -8.104 7.268 -4.875 1.00 0.00 C ATOM 1197 O ASN A 82 -8.880 7.240 -5.827 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.522 9.088 -5.448 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.515 10.586 -5.473 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.264 11.211 -6.222 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.709 11.179 -4.656 1.00 0.00 N ATOM 0 H ASN A 82 -5.856 8.324 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.323 9.270 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.520 8.721 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.790 8.706 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.680 12.198 -4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.102 10.628 -4.049 1.00 0.00 H new ATOM 1208 N THR A 83 -7.743 6.220 -4.210 1.00 0.00 N ATOM 1209 CA THR A 83 -8.194 4.895 -4.508 1.00 0.00 C ATOM 1210 C THR A 83 -9.711 4.751 -4.397 1.00 0.00 C ATOM 1211 O THR A 83 -10.363 5.396 -3.551 1.00 0.00 O ATOM 1212 CB THR A 83 -7.531 3.953 -3.547 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.557 4.579 -2.263 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.102 3.691 -3.951 1.00 0.00 C ATOM 0 H THR A 83 -7.104 6.261 -3.416 1.00 0.00 H new ATOM 0 HA THR A 83 -7.930 4.667 -5.541 1.00 0.00 H new ATOM 0 HB THR A 83 -8.054 2.996 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.484 4.776 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.642 3.005 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.081 3.248 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.548 4.630 -3.960 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.242 3.913 -5.232 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.652 3.635 -5.278 1.00 0.00 C ATOM 1224 C LYS A 84 -11.899 2.196 -4.808 1.00 0.00 C ATOM 1225 O LYS A 84 -11.060 1.646 -4.120 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.202 3.952 -6.705 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.357 3.447 -7.887 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.438 1.945 -8.078 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.493 1.464 -9.168 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.728 2.109 -10.476 1.00 0.00 N ATOM 0 H LYS A 84 -9.699 3.389 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.207 4.278 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.201 3.523 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.310 5.033 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.688 3.942 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.317 3.732 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.196 1.445 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.460 1.665 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.466 1.654 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.598 0.385 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.134 1.654 -11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.730 2.009 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.486 3.118 -10.414 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.050 1.637 -5.130 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.400 0.278 -4.750 1.00 0.00 C ATOM 1246 C GLY A 85 -12.355 -0.793 -5.097 1.00 0.00 C ATOM 1247 O GLY A 85 -11.663 -1.281 -4.215 1.00 0.00 O ATOM 0 H GLY A 85 -13.774 2.115 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.577 0.254 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.340 0.014 -5.234 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.247 -1.164 -6.360 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.299 -2.229 -6.754 1.00 0.00 C ATOM 1253 C ASN A 86 -9.899 -1.713 -6.906 1.00 0.00 C ATOM 1254 O ASN A 86 -9.543 -1.138 -7.923 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.725 -2.984 -8.014 1.00 0.00 C ATOM 1256 CG ASN A 86 -12.902 -3.906 -7.779 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.056 -3.504 -7.915 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -12.629 -5.150 -7.443 1.00 0.00 N ATOM 0 H ASN A 86 -12.785 -0.763 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.317 -2.942 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.983 -2.266 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.882 -3.567 -8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.387 -5.814 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.659 -5.449 -7.339 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.104 -1.932 -5.906 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.756 -1.416 -5.879 1.00 0.00 C ATOM 1267 C VAL A 87 -6.776 -2.532 -6.060 1.00 0.00 C ATOM 1268 O VAL A 87 -6.920 -3.567 -5.449 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.413 -0.805 -4.525 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.230 0.123 -4.628 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.596 -0.160 -3.873 1.00 0.00 C ATOM 0 H VAL A 87 -9.364 -2.473 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.699 -0.671 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.121 -1.623 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.010 0.543 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.363 -0.431 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.460 0.930 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.298 0.259 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.976 0.635 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.377 -0.905 -3.717 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.797 -2.326 -6.878 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.716 -3.262 -7.004 1.00 0.00 C ATOM 1283 C ARG A 88 -3.593 -2.843 -6.096 1.00 0.00 C ATOM 1284 O ARG A 88 -2.887 -1.871 -6.362 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.254 -3.380 -8.452 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.260 -4.102 -9.317 1.00 0.00 C ATOM 1287 CD ARG A 88 -4.975 -3.942 -10.789 1.00 0.00 C ATOM 1288 NE ARG A 88 -3.688 -4.532 -11.240 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.214 -4.468 -12.514 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -3.872 -3.801 -13.454 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -2.080 -5.061 -12.833 1.00 0.00 N ATOM 0 H ARG A 88 -5.719 -1.506 -7.480 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.060 -4.252 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.078 -2.384 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.302 -3.910 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.259 -5.162 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.259 -3.724 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.787 -4.400 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.977 -2.879 -11.032 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.120 -5.019 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.746 -3.327 -13.226 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.504 -3.762 -14.404 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.554 -5.571 -12.123 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.729 -5.010 -13.789 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.504 -3.508 -4.982 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.444 -3.286 -4.047 1.00 0.00 C ATOM 1307 C PHE A 89 -1.373 -4.271 -4.316 1.00 0.00 C ATOM 1308 O PHE A 89 -1.518 -5.439 -4.000 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.891 -3.499 -2.603 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.942 -2.590 -2.112 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.608 -1.375 -1.559 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.260 -2.955 -2.170 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.575 -0.534 -1.073 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.231 -2.118 -1.688 1.00 0.00 C ATOM 1315 CZ PHE A 89 -5.890 -0.906 -1.139 1.00 0.00 C ATOM 0 H PHE A 89 -4.171 -4.225 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.111 -2.255 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.248 -4.524 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.020 -3.399 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.570 -1.080 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.536 -3.908 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.301 0.417 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.269 -2.412 -1.740 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.658 -0.248 -0.760 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.335 -3.855 -4.917 1.00 0.00 N ATOM 1326 CA VAL A 90 0.763 -4.727 -5.099 1.00 0.00 C ATOM 1327 C VAL A 90 1.606 -4.560 -3.885 1.00 0.00 C ATOM 1328 O VAL A 90 2.291 -3.578 -3.733 1.00 0.00 O ATOM 1329 CB VAL A 90 1.597 -4.420 -6.355 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.739 -5.424 -6.507 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.726 -4.418 -7.589 1.00 0.00 C ATOM 0 H VAL A 90 -0.215 -2.915 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 90 0.399 -5.745 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 90 2.029 -3.426 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.315 -5.187 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.388 -5.372 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.329 -6.430 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.337 -4.199 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.260 -5.396 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.048 -3.657 -7.487 1.00 0.00 H new ATOM 1341 N ILE A 91 1.367 -5.384 -2.961 1.00 0.00 N ATOM 1342 CA ILE A 91 2.111 -5.452 -1.760 1.00 0.00 C ATOM 1343 C ILE A 91 2.967 -6.699 -1.804 1.00 0.00 C ATOM 1344 O ILE A 91 2.662 -7.630 -2.526 1.00 0.00 O ATOM 1345 CB ILE A 91 1.107 -5.466 -0.591 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.403 -4.112 -0.540 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.739 -5.831 0.747 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.684 -4.037 0.443 1.00 0.00 C ATOM 0 H ILE A 91 0.613 -6.069 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 91 2.776 -4.598 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 91 0.379 -6.256 -0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.139 -3.341 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.001 -3.886 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.975 -5.822 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.179 -6.826 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.516 -5.107 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.131 -3.043 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.442 -4.783 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.287 -4.229 1.440 1.00 0.00 H new ATOM 1360 N GLY A 92 4.034 -6.706 -1.082 1.00 0.00 N ATOM 1361 CA GLY A 92 4.877 -7.831 -1.108 1.00 0.00 C ATOM 1362 C GLY A 92 5.204 -8.307 0.269 1.00 0.00 C ATOM 1363 O GLY A 92 5.293 -7.506 1.213 1.00 0.00 O ATOM 0 H GLY A 92 4.335 -5.946 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.395 -8.634 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.798 -7.584 -1.636 1.00 0.00 H new ATOM 1367 N ARG A 93 5.413 -9.580 0.394 1.00 0.00 N ATOM 1368 CA ARG A 93 5.699 -10.167 1.662 1.00 0.00 C ATOM 1369 C ARG A 93 7.018 -10.926 1.600 1.00 0.00 C ATOM 1370 O ARG A 93 7.163 -11.870 0.811 1.00 0.00 O ATOM 1371 CB ARG A 93 4.566 -11.117 2.076 1.00 0.00 C ATOM 1372 CG ARG A 93 4.633 -11.564 3.520 1.00 0.00 C ATOM 1373 CD ARG A 93 4.377 -10.394 4.446 1.00 0.00 C ATOM 1374 NE ARG A 93 4.557 -10.716 5.855 1.00 0.00 N ATOM 1375 CZ ARG A 93 4.269 -9.873 6.847 1.00 0.00 C ATOM 1376 NH1 ARG A 93 3.615 -8.741 6.590 1.00 0.00 N ATOM 1377 NH2 ARG A 93 4.585 -10.179 8.096 1.00 0.00 N ATOM 0 H ARG A 93 5.390 -10.241 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 93 5.780 -9.373 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.610 -10.622 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.590 -11.997 1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.896 -12.347 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.612 -11.994 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.048 -9.577 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.360 -10.034 4.291 1.00 0.00 H new ATOM 0 HE ARG A 93 4.923 -11.637 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.335 -8.520 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.395 -8.096 7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.051 -11.063 8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.363 -9.531 8.852 1.00 0.00 H new ATOM 1391 N GLU A 94 7.995 -10.483 2.362 1.00 0.00 N ATOM 1392 CA GLU A 94 9.236 -11.206 2.474 1.00 0.00 C ATOM 1393 C GLU A 94 9.180 -12.112 3.686 1.00 0.00 C ATOM 1394 O GLU A 94 9.040 -11.612 4.814 1.00 0.00 O ATOM 1395 CB GLU A 94 10.494 -10.299 2.472 1.00 0.00 C ATOM 1396 CG GLU A 94 10.609 -9.267 3.585 1.00 0.00 C ATOM 1397 CD GLU A 94 11.960 -8.575 3.569 1.00 0.00 C ATOM 1398 OE1 GLU A 94 12.139 -7.594 2.822 1.00 0.00 O ATOM 1399 OE2 GLU A 94 12.876 -9.011 4.304 1.00 0.00 O ATOM 0 H GLU A 94 7.950 -9.625 2.912 1.00 0.00 H new ATOM 0 HA GLU A 94 9.345 -11.814 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.374 -10.941 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.530 -9.773 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.818 -8.525 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.460 -9.753 4.549 1.00 0.00 H new TER 1406 GLU A 94