USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 39 THR OG1 : rot -71:sc= 0.475 USER MOD Set 1.2: A 45 THR OG1 : rot -55:sc= -2.22! USER MOD Set 2.1: A 10 ASN : amide:sc= -0.643! X(o=-0.71!,f=-0.72) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.065! C(o=-0.71!,f=-0.72!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 1:sc= 1.06 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 44:sc= 0.527 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.18) USER MOD Single : A 14 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1) USER MOD Single : A 16 MET CE :methyl -153:sc= -0.507 (180deg=-1.86) USER MOD Single : A 18 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-0.93) USER MOD Single : A 19 GLN : amide:sc= -0.0805 X(o=-0.08,f=-0.49) USER MOD Single : A 21 GLN : amide:sc= -0.014 K(o=-0.014,f=-0.54) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.96) USER MOD Single : A 29 TYR OH : rot 24:sc= 0.823 USER MOD Single : A 30 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.017) USER MOD Single : A 34 GLN : amide:sc= -5.92! C(o=-5.9!,f=-8.7!) USER MOD Single : A 41 SER OG : rot 53:sc= 1.3 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0811 USER MOD Single : A 48 ASN : amide:sc= -5.65! K(o=-5.7!,f=-1.9) USER MOD Single : A 55 GLN : amide:sc= -0.0201 K(o=-0.02,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.507 -25.076 2.057 1.00 0.00 N ATOM 2 CA GLY A 1 -1.542 -25.281 1.058 1.00 0.00 C ATOM 3 C GLY A 1 -1.587 -24.115 0.068 1.00 0.00 C ATOM 4 O GLY A 1 -1.840 -22.976 0.457 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.497 -25.880 2.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.418 -25.001 1.588 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.701 -24.200 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.355 -26.211 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.510 -25.384 1.548 1.00 0.00 H new ATOM 8 N SER A 2 -1.338 -24.441 -1.192 1.00 0.00 N ATOM 9 CA SER A 2 -1.347 -23.435 -2.240 1.00 0.00 C ATOM 10 C SER A 2 -2.740 -22.813 -2.357 1.00 0.00 C ATOM 11 O SER A 2 -3.744 -23.525 -2.351 1.00 0.00 O ATOM 12 CB SER A 2 -0.918 -24.033 -3.581 1.00 0.00 C ATOM 13 OG SER A 2 -0.207 -23.093 -4.382 1.00 0.00 O ATOM 0 H SER A 2 -1.129 -25.387 -1.510 1.00 0.00 H new ATOM 0 HA SER A 2 -0.631 -22.658 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.290 -24.906 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.799 -24.378 -4.123 1.00 0.00 H new ATOM 0 HG SER A 2 0.051 -23.514 -5.229 1.00 0.00 H new ATOM 19 N SER A 3 -2.757 -21.492 -2.462 1.00 0.00 N ATOM 20 CA SER A 3 -4.011 -20.767 -2.580 1.00 0.00 C ATOM 21 C SER A 3 -4.196 -20.274 -4.016 1.00 0.00 C ATOM 22 O SER A 3 -3.793 -19.161 -4.351 1.00 0.00 O ATOM 23 CB SER A 3 -4.060 -19.590 -1.604 1.00 0.00 C ATOM 24 OG SER A 3 -5.380 -19.353 -1.120 1.00 0.00 O ATOM 0 H SER A 3 -1.923 -20.905 -2.468 1.00 0.00 H new ATOM 0 HA SER A 3 -4.825 -21.447 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.396 -19.788 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.689 -18.693 -2.099 1.00 0.00 H new ATOM 0 HG SER A 3 -5.369 -18.595 -0.499 1.00 0.00 H new ATOM 30 N GLY A 4 -4.806 -21.126 -4.827 1.00 0.00 N ATOM 31 CA GLY A 4 -5.050 -20.790 -6.220 1.00 0.00 C ATOM 32 C GLY A 4 -6.536 -20.916 -6.562 1.00 0.00 C ATOM 33 O GLY A 4 -6.919 -21.747 -7.384 1.00 0.00 O ATOM 0 H GLY A 4 -5.139 -22.048 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.713 -19.772 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.468 -21.449 -6.864 1.00 0.00 H new ATOM 37 N SER A 5 -7.332 -20.078 -5.914 1.00 0.00 N ATOM 38 CA SER A 5 -8.768 -20.085 -6.140 1.00 0.00 C ATOM 39 C SER A 5 -9.276 -18.653 -6.319 1.00 0.00 C ATOM 40 O SER A 5 -9.258 -17.862 -5.377 1.00 0.00 O ATOM 41 CB SER A 5 -9.503 -20.769 -4.985 1.00 0.00 C ATOM 42 OG SER A 5 -9.597 -19.927 -3.839 1.00 0.00 O ATOM 0 H SER A 5 -7.010 -19.390 -5.233 1.00 0.00 H new ATOM 0 HA SER A 5 -8.969 -20.651 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.504 -21.053 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.982 -21.688 -4.718 1.00 0.00 H new ATOM 0 HG SER A 5 -9.178 -19.063 -4.033 1.00 0.00 H new ATOM 48 N SER A 6 -9.717 -18.364 -7.534 1.00 0.00 N ATOM 49 CA SER A 6 -10.229 -17.041 -7.849 1.00 0.00 C ATOM 50 C SER A 6 -9.160 -15.984 -7.565 1.00 0.00 C ATOM 51 O SER A 6 -8.193 -16.250 -6.852 1.00 0.00 O ATOM 52 CB SER A 6 -11.500 -16.738 -7.051 1.00 0.00 C ATOM 53 OG SER A 6 -12.608 -17.515 -7.497 1.00 0.00 O ATOM 0 H SER A 6 -9.730 -19.023 -8.312 1.00 0.00 H new ATOM 0 HA SER A 6 -10.482 -17.016 -8.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.320 -16.936 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.741 -15.679 -7.141 1.00 0.00 H new ATOM 0 HG SER A 6 -13.399 -17.294 -6.962 1.00 0.00 H new ATOM 59 N GLY A 7 -9.370 -14.807 -8.136 1.00 0.00 N ATOM 60 CA GLY A 7 -8.436 -13.710 -7.954 1.00 0.00 C ATOM 61 C GLY A 7 -8.492 -13.175 -6.521 1.00 0.00 C ATOM 62 O GLY A 7 -8.391 -13.941 -5.564 1.00 0.00 O ATOM 0 H GLY A 7 -10.174 -14.589 -8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.425 -14.047 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.670 -12.908 -8.655 1.00 0.00 H new ATOM 66 N ALA A 8 -8.652 -11.863 -6.419 1.00 0.00 N ATOM 67 CA ALA A 8 -8.723 -11.217 -5.120 1.00 0.00 C ATOM 68 C ALA A 8 -9.227 -9.783 -5.295 1.00 0.00 C ATOM 69 O ALA A 8 -8.432 -8.850 -5.396 1.00 0.00 O ATOM 70 CB ALA A 8 -7.351 -11.274 -4.446 1.00 0.00 C ATOM 0 H ALA A 8 -8.734 -11.231 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.427 -11.737 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.404 -10.789 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.051 -12.314 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.619 -10.759 -5.068 1.00 0.00 H new ATOM 76 N SER A 9 -10.545 -9.653 -5.326 1.00 0.00 N ATOM 77 CA SER A 9 -11.165 -8.349 -5.487 1.00 0.00 C ATOM 78 C SER A 9 -11.170 -7.603 -4.151 1.00 0.00 C ATOM 79 O SER A 9 -12.075 -7.784 -3.338 1.00 0.00 O ATOM 80 CB SER A 9 -12.590 -8.479 -6.027 1.00 0.00 C ATOM 81 OG SER A 9 -13.395 -9.327 -5.212 1.00 0.00 O ATOM 0 H SER A 9 -11.201 -10.430 -5.242 1.00 0.00 H new ATOM 0 HA SER A 9 -10.581 -7.781 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.047 -7.491 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.558 -8.875 -7.042 1.00 0.00 H new ATOM 0 HG SER A 9 -13.241 -9.115 -4.268 1.00 0.00 H new ATOM 87 N ASN A 10 -10.148 -6.780 -3.965 1.00 0.00 N ATOM 88 CA ASN A 10 -10.023 -6.006 -2.742 1.00 0.00 C ATOM 89 C ASN A 10 -10.973 -4.809 -2.801 1.00 0.00 C ATOM 90 O ASN A 10 -11.859 -4.672 -1.959 1.00 0.00 O ATOM 91 CB ASN A 10 -8.600 -5.472 -2.571 1.00 0.00 C ATOM 92 CG ASN A 10 -7.578 -6.610 -2.616 1.00 0.00 C ATOM 93 OD1 ASN A 10 -7.522 -7.464 -1.746 1.00 0.00 O ATOM 94 ND2 ASN A 10 -6.775 -6.574 -3.675 1.00 0.00 N ATOM 0 H ASN A 10 -9.399 -6.633 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.266 -6.659 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.381 -4.751 -3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.518 -4.942 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.058 -7.290 -3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.876 -5.831 -4.366 1.00 0.00 H new ATOM 101 N SER A 11 -10.757 -3.972 -3.806 1.00 0.00 N ATOM 102 CA SER A 11 -11.584 -2.791 -3.986 1.00 0.00 C ATOM 103 C SER A 11 -11.187 -1.715 -2.973 1.00 0.00 C ATOM 104 O SER A 11 -10.832 -0.600 -3.354 1.00 0.00 O ATOM 105 CB SER A 11 -13.069 -3.131 -3.846 1.00 0.00 C ATOM 106 OG SER A 11 -13.830 -2.671 -4.959 1.00 0.00 O ATOM 0 H SER A 11 -10.022 -4.089 -4.503 1.00 0.00 H new ATOM 0 HA SER A 11 -11.421 -2.410 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.186 -4.210 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.458 -2.684 -2.931 1.00 0.00 H new ATOM 0 HG SER A 11 -14.772 -2.909 -4.832 1.00 0.00 H new ATOM 112 N GLN A 12 -11.262 -2.086 -1.704 1.00 0.00 N ATOM 113 CA GLN A 12 -10.915 -1.167 -0.633 1.00 0.00 C ATOM 114 C GLN A 12 -9.427 -0.816 -0.697 1.00 0.00 C ATOM 115 O GLN A 12 -9.065 0.314 -1.021 1.00 0.00 O ATOM 116 CB GLN A 12 -11.283 -1.751 0.732 1.00 0.00 C ATOM 117 CG GLN A 12 -11.335 -0.657 1.800 1.00 0.00 C ATOM 118 CD GLN A 12 -12.572 0.225 1.623 1.00 0.00 C ATOM 119 OE1 GLN A 12 -13.677 -0.127 2.002 1.00 0.00 O ATOM 120 NE2 GLN A 12 -12.326 1.388 1.026 1.00 0.00 N ATOM 0 H GLN A 12 -11.558 -3.011 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.491 -0.251 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.250 -2.250 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.552 -2.508 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.347 -1.112 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.436 -0.044 1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.377 1.620 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.086 2.047 0.861 1.00 0.00 H new ATOM 129 N LEU A 13 -8.604 -1.805 -0.380 1.00 0.00 N ATOM 130 CA LEU A 13 -7.164 -1.615 -0.397 1.00 0.00 C ATOM 131 C LEU A 13 -6.744 -1.053 -1.757 1.00 0.00 C ATOM 132 O LEU A 13 -5.720 -0.379 -1.864 1.00 0.00 O ATOM 133 CB LEU A 13 -6.448 -2.914 -0.020 1.00 0.00 C ATOM 134 CG LEU A 13 -6.624 -3.382 1.426 1.00 0.00 C ATOM 135 CD1 LEU A 13 -7.154 -4.817 1.476 1.00 0.00 C ATOM 136 CD2 LEU A 13 -5.324 -3.223 2.216 1.00 0.00 C ATOM 0 H LEU A 13 -8.907 -2.741 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.867 -0.884 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.800 -3.705 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.383 -2.787 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.370 -2.746 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.270 -5.126 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.120 -4.866 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.450 -5.482 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.477 -3.563 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.539 -3.819 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.028 -2.174 2.222 1.00 0.00 H new ATOM 148 N ASN A 14 -7.555 -1.352 -2.761 1.00 0.00 N ATOM 149 CA ASN A 14 -7.280 -0.885 -4.109 1.00 0.00 C ATOM 150 C ASN A 14 -7.254 0.645 -4.119 1.00 0.00 C ATOM 151 O ASN A 14 -6.297 1.250 -4.600 1.00 0.00 O ATOM 152 CB ASN A 14 -8.365 -1.345 -5.084 1.00 0.00 C ATOM 153 CG ASN A 14 -7.754 -1.806 -6.408 1.00 0.00 C ATOM 154 OD1 ASN A 14 -6.830 -2.602 -6.452 1.00 0.00 O ATOM 155 ND2 ASN A 14 -8.318 -1.262 -7.483 1.00 0.00 N ATOM 0 H ASN A 14 -8.403 -1.912 -2.668 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.319 -1.297 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.936 -2.160 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.064 -0.529 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.980 -1.505 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.088 -0.602 -7.376 1.00 0.00 H new ATOM 162 N ALA A 15 -8.316 1.226 -3.581 1.00 0.00 N ATOM 163 CA ALA A 15 -8.427 2.674 -3.522 1.00 0.00 C ATOM 164 C ALA A 15 -7.282 3.235 -2.676 1.00 0.00 C ATOM 165 O ALA A 15 -6.498 4.055 -3.152 1.00 0.00 O ATOM 166 CB ALA A 15 -9.802 3.059 -2.971 1.00 0.00 C ATOM 0 H ALA A 15 -9.107 0.721 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.343 3.106 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.885 4.145 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.580 2.662 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.922 2.645 -1.970 1.00 0.00 H new ATOM 172 N MET A 16 -7.222 2.771 -1.437 1.00 0.00 N ATOM 173 CA MET A 16 -6.186 3.216 -0.520 1.00 0.00 C ATOM 174 C MET A 16 -4.844 3.364 -1.240 1.00 0.00 C ATOM 175 O MET A 16 -4.136 4.350 -1.043 1.00 0.00 O ATOM 176 CB MET A 16 -6.046 2.206 0.621 1.00 0.00 C ATOM 177 CG MET A 16 -7.151 2.397 1.661 1.00 0.00 C ATOM 178 SD MET A 16 -7.857 0.817 2.099 1.00 0.00 S ATOM 179 CE MET A 16 -6.571 0.188 3.166 1.00 0.00 C ATOM 0 H MET A 16 -7.874 2.091 -1.046 1.00 0.00 H new ATOM 0 HA MET A 16 -6.472 4.189 -0.122 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.089 1.193 0.222 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.071 2.321 1.095 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.746 2.882 2.549 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.926 3.053 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.583 -0.902 3.147 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.602 0.546 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.742 0.535 4.185 1.00 0.00 H new ATOM 189 N ALA A 17 -4.535 2.369 -2.058 1.00 0.00 N ATOM 190 CA ALA A 17 -3.291 2.376 -2.808 1.00 0.00 C ATOM 191 C ALA A 17 -3.194 3.673 -3.615 1.00 0.00 C ATOM 192 O ALA A 17 -2.258 4.451 -3.436 1.00 0.00 O ATOM 193 CB ALA A 17 -3.222 1.132 -3.695 1.00 0.00 C ATOM 0 H ALA A 17 -5.125 1.552 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.436 2.343 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.288 1.138 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.265 0.238 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.063 1.132 -4.388 1.00 0.00 H new ATOM 199 N HIS A 18 -4.174 3.866 -4.485 1.00 0.00 N ATOM 200 CA HIS A 18 -4.211 5.055 -5.319 1.00 0.00 C ATOM 201 C HIS A 18 -3.975 6.295 -4.456 1.00 0.00 C ATOM 202 O HIS A 18 -3.048 7.064 -4.706 1.00 0.00 O ATOM 203 CB HIS A 18 -5.518 5.123 -6.111 1.00 0.00 C ATOM 204 CG HIS A 18 -6.010 6.528 -6.365 1.00 0.00 C ATOM 205 ND1 HIS A 18 -5.210 7.514 -6.916 1.00 0.00 N ATOM 206 CD2 HIS A 18 -7.227 7.101 -6.138 1.00 0.00 C ATOM 207 CE1 HIS A 18 -5.924 8.626 -7.012 1.00 0.00 C ATOM 208 NE2 HIS A 18 -7.173 8.368 -6.529 1.00 0.00 N ATOM 0 H HIS A 18 -4.949 3.219 -4.631 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.410 5.011 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.378 4.620 -7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.287 4.572 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.088 6.607 -5.712 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.578 9.571 -7.404 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.940 9.039 -6.477 1.00 0.00 H new ATOM 216 N GLN A 19 -4.831 6.452 -3.456 1.00 0.00 N ATOM 217 CA GLN A 19 -4.728 7.587 -2.554 1.00 0.00 C ATOM 218 C GLN A 19 -3.267 7.827 -2.168 1.00 0.00 C ATOM 219 O GLN A 19 -2.827 8.971 -2.070 1.00 0.00 O ATOM 220 CB GLN A 19 -5.597 7.380 -1.312 1.00 0.00 C ATOM 221 CG GLN A 19 -7.007 7.932 -1.530 1.00 0.00 C ATOM 222 CD GLN A 19 -7.179 9.285 -0.837 1.00 0.00 C ATOM 223 OE1 GLN A 19 -6.768 9.490 0.293 1.00 0.00 O ATOM 224 NE2 GLN A 19 -7.809 10.194 -1.576 1.00 0.00 N ATOM 0 H GLN A 19 -5.599 5.812 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.097 8.473 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.651 6.317 -1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.138 7.874 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.198 8.039 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.742 7.226 -1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.127 9.956 -2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.974 11.129 -1.203 1.00 0.00 H new ATOM 233 N ILE A 20 -2.556 6.729 -1.959 1.00 0.00 N ATOM 234 CA ILE A 20 -1.153 6.805 -1.585 1.00 0.00 C ATOM 235 C ILE A 20 -0.327 7.214 -2.806 1.00 0.00 C ATOM 236 O ILE A 20 0.474 8.145 -2.735 1.00 0.00 O ATOM 237 CB ILE A 20 -0.697 5.493 -0.945 1.00 0.00 C ATOM 238 CG1 ILE A 20 -1.456 5.225 0.357 1.00 0.00 C ATOM 239 CG2 ILE A 20 0.819 5.482 -0.737 1.00 0.00 C ATOM 240 CD1 ILE A 20 -1.173 3.814 0.876 1.00 0.00 C ATOM 0 H ILE A 20 -2.925 5.782 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.002 7.572 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.934 4.679 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.165 5.958 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.526 5.347 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.117 4.538 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.319 5.594 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.103 6.307 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.724 3.649 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.487 3.083 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.105 3.703 1.065 1.00 0.00 H new ATOM 252 N GLN A 21 -0.549 6.497 -3.898 1.00 0.00 N ATOM 253 CA GLN A 21 0.165 6.774 -5.133 1.00 0.00 C ATOM 254 C GLN A 21 0.323 8.283 -5.329 1.00 0.00 C ATOM 255 O GLN A 21 1.374 8.749 -5.766 1.00 0.00 O ATOM 256 CB GLN A 21 -0.543 6.137 -6.330 1.00 0.00 C ATOM 257 CG GLN A 21 0.433 5.909 -7.487 1.00 0.00 C ATOM 258 CD GLN A 21 0.980 4.480 -7.469 1.00 0.00 C ATOM 259 OE1 GLN A 21 1.045 3.826 -6.441 1.00 0.00 O ATOM 260 NE2 GLN A 21 1.369 4.035 -8.660 1.00 0.00 N ATOM 0 H GLN A 21 -1.213 5.725 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 21 1.158 6.331 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.987 5.187 -6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.359 6.781 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.071 6.098 -8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.257 6.619 -7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.287 4.635 -9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.750 3.093 -8.753 1.00 0.00 H new ATOM 269 N GLU A 22 -0.737 9.005 -4.995 1.00 0.00 N ATOM 270 CA GLU A 22 -0.729 10.451 -5.129 1.00 0.00 C ATOM 271 C GLU A 22 0.416 11.054 -4.312 1.00 0.00 C ATOM 272 O GLU A 22 1.283 11.733 -4.859 1.00 0.00 O ATOM 273 CB GLU A 22 -2.074 11.048 -4.710 1.00 0.00 C ATOM 274 CG GLU A 22 -3.140 10.801 -5.780 1.00 0.00 C ATOM 275 CD GLU A 22 -3.295 12.020 -6.691 1.00 0.00 C ATOM 276 OE1 GLU A 22 -3.857 13.025 -6.204 1.00 0.00 O ATOM 277 OE2 GLU A 22 -2.849 11.920 -7.854 1.00 0.00 O ATOM 0 H GLU A 22 -1.607 8.615 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.570 10.698 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.393 10.608 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.964 12.119 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.867 9.930 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.094 10.575 -5.303 1.00 0.00 H new ATOM 284 N MET A 23 0.381 10.783 -3.015 1.00 0.00 N ATOM 285 CA MET A 23 1.405 11.290 -2.117 1.00 0.00 C ATOM 286 C MET A 23 2.755 10.624 -2.393 1.00 0.00 C ATOM 287 O MET A 23 3.773 11.302 -2.513 1.00 0.00 O ATOM 288 CB MET A 23 0.991 11.025 -0.669 1.00 0.00 C ATOM 289 CG MET A 23 0.007 12.088 -0.176 1.00 0.00 C ATOM 290 SD MET A 23 0.076 12.207 1.603 1.00 0.00 S ATOM 291 CE MET A 23 -0.890 10.773 2.047 1.00 0.00 C ATOM 0 H MET A 23 -0.340 10.219 -2.565 1.00 0.00 H new ATOM 0 HA MET A 23 1.509 12.362 -2.284 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.534 10.038 -0.593 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.874 11.018 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.248 13.053 -0.623 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.004 11.833 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.949 10.696 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.895 10.869 1.635 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.417 9.877 1.644 1.00 0.00 H new ATOM 301 N PHE A 24 2.718 9.302 -2.485 1.00 0.00 N ATOM 302 CA PHE A 24 3.925 8.537 -2.744 1.00 0.00 C ATOM 303 C PHE A 24 3.769 7.673 -3.997 1.00 0.00 C ATOM 304 O PHE A 24 3.550 6.466 -3.900 1.00 0.00 O ATOM 305 CB PHE A 24 4.145 7.625 -1.535 1.00 0.00 C ATOM 306 CG PHE A 24 4.110 8.355 -0.191 1.00 0.00 C ATOM 307 CD1 PHE A 24 2.936 8.853 0.282 1.00 0.00 C ATOM 308 CD2 PHE A 24 5.252 8.506 0.531 1.00 0.00 C ATOM 309 CE1 PHE A 24 2.903 9.530 1.530 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.220 9.184 1.778 1.00 0.00 C ATOM 311 CZ PHE A 24 4.046 9.682 2.252 1.00 0.00 C ATOM 0 H PHE A 24 1.871 8.742 -2.385 1.00 0.00 H new ATOM 0 HA PHE A 24 4.766 9.212 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.381 6.848 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.108 7.125 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.029 8.734 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.184 8.110 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.970 9.924 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.128 9.304 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.021 10.198 3.201 1.00 0.00 H new ATOM 321 N PRO A 25 3.890 8.342 -5.175 1.00 0.00 N ATOM 322 CA PRO A 25 3.764 7.648 -6.446 1.00 0.00 C ATOM 323 C PRO A 25 5.016 6.822 -6.746 1.00 0.00 C ATOM 324 O PRO A 25 4.937 5.783 -7.399 1.00 0.00 O ATOM 325 CB PRO A 25 3.516 8.744 -7.469 1.00 0.00 C ATOM 326 CG PRO A 25 3.973 10.038 -6.814 1.00 0.00 C ATOM 327 CD PRO A 25 4.149 9.770 -5.328 1.00 0.00 C ATOM 0 HA PRO A 25 2.949 6.924 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.072 8.554 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.461 8.794 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.910 10.379 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.239 10.828 -6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.155 10.028 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.455 10.364 -4.734 1.00 0.00 H new ATOM 335 N GLN A 26 6.144 7.315 -6.254 1.00 0.00 N ATOM 336 CA GLN A 26 7.411 6.636 -6.462 1.00 0.00 C ATOM 337 C GLN A 26 7.237 5.125 -6.292 1.00 0.00 C ATOM 338 O GLN A 26 7.594 4.352 -7.180 1.00 0.00 O ATOM 339 CB GLN A 26 8.484 7.174 -5.513 1.00 0.00 C ATOM 340 CG GLN A 26 8.060 7.003 -4.053 1.00 0.00 C ATOM 341 CD GLN A 26 8.925 7.861 -3.127 1.00 0.00 C ATOM 342 OE1 GLN A 26 9.351 8.953 -3.467 1.00 0.00 O ATOM 343 NE2 GLN A 26 9.161 7.308 -1.941 1.00 0.00 N ATOM 0 H GLN A 26 6.206 8.177 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 26 7.743 6.832 -7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.424 6.650 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.664 8.229 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.012 7.282 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.144 5.955 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.774 6.390 -1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.729 7.801 -1.252 1.00 0.00 H new ATOM 352 N VAL A 27 6.689 4.750 -5.146 1.00 0.00 N ATOM 353 CA VAL A 27 6.464 3.346 -4.848 1.00 0.00 C ATOM 354 C VAL A 27 5.442 2.777 -5.835 1.00 0.00 C ATOM 355 O VAL A 27 4.490 3.460 -6.210 1.00 0.00 O ATOM 356 CB VAL A 27 6.039 3.182 -3.388 1.00 0.00 C ATOM 357 CG1 VAL A 27 4.894 4.135 -3.039 1.00 0.00 C ATOM 358 CG2 VAL A 27 5.656 1.731 -3.087 1.00 0.00 C ATOM 0 H VAL A 27 6.394 5.394 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 27 7.386 2.778 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 27 6.892 3.440 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.611 3.997 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.217 5.164 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.037 3.923 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.358 1.643 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.826 1.433 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.511 1.082 -3.276 1.00 0.00 H new ATOM 368 N PRO A 28 5.680 1.500 -6.238 1.00 0.00 N ATOM 369 CA PRO A 28 4.792 0.832 -7.174 1.00 0.00 C ATOM 370 C PRO A 28 3.490 0.410 -6.488 1.00 0.00 C ATOM 371 O PRO A 28 3.458 0.217 -5.274 1.00 0.00 O ATOM 372 CB PRO A 28 5.593 -0.345 -7.704 1.00 0.00 C ATOM 373 CG PRO A 28 6.720 -0.565 -6.709 1.00 0.00 C ATOM 374 CD PRO A 28 6.797 0.661 -5.814 1.00 0.00 C ATOM 0 HA PRO A 28 4.476 1.481 -7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.969 -1.235 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.986 -0.134 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.536 -1.460 -6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.665 -0.717 -7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.711 0.389 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.749 1.179 -5.933 1.00 0.00 H new ATOM 382 N TYR A 29 2.449 0.280 -7.297 1.00 0.00 N ATOM 383 CA TYR A 29 1.148 -0.116 -6.784 1.00 0.00 C ATOM 384 C TYR A 29 1.172 -1.562 -6.286 1.00 0.00 C ATOM 385 O TYR A 29 0.720 -1.849 -5.178 1.00 0.00 O ATOM 386 CB TYR A 29 0.180 -0.011 -7.963 1.00 0.00 C ATOM 387 CG TYR A 29 -1.218 0.479 -7.579 1.00 0.00 C ATOM 388 CD1 TYR A 29 -2.168 -0.421 -7.140 1.00 0.00 C ATOM 389 CD2 TYR A 29 -1.529 1.820 -7.672 1.00 0.00 C ATOM 390 CE1 TYR A 29 -3.484 0.040 -6.779 1.00 0.00 C ATOM 391 CE2 TYR A 29 -2.845 2.281 -7.311 1.00 0.00 C ATOM 392 CZ TYR A 29 -3.757 1.368 -6.882 1.00 0.00 C ATOM 393 OH TYR A 29 -5.000 1.803 -6.541 1.00 0.00 O ATOM 0 H TYR A 29 2.480 0.442 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 29 0.857 0.518 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.600 0.667 -8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.094 -0.989 -8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.925 -1.471 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.786 2.524 -8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.237 -0.653 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.102 3.328 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.408 1.169 -5.915 1.00 0.00 H new ATOM 403 N HIS A 30 1.704 -2.436 -7.128 1.00 0.00 N ATOM 404 CA HIS A 30 1.793 -3.845 -6.787 1.00 0.00 C ATOM 405 C HIS A 30 2.217 -3.994 -5.325 1.00 0.00 C ATOM 406 O HIS A 30 1.476 -4.545 -4.513 1.00 0.00 O ATOM 407 CB HIS A 30 2.725 -4.580 -7.753 1.00 0.00 C ATOM 408 CG HIS A 30 3.403 -5.788 -7.152 1.00 0.00 C ATOM 409 ND1 HIS A 30 2.713 -6.928 -6.781 1.00 0.00 N ATOM 410 CD2 HIS A 30 4.716 -6.021 -6.863 1.00 0.00 C ATOM 411 CE1 HIS A 30 3.580 -7.802 -6.291 1.00 0.00 C ATOM 412 NE2 HIS A 30 4.821 -7.237 -6.342 1.00 0.00 N ATOM 0 H HIS A 30 2.078 -2.195 -8.046 1.00 0.00 H new ATOM 0 HA HIS A 30 0.813 -4.311 -6.894 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.153 -4.894 -8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.488 -3.886 -8.105 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.531 -5.333 -7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.346 -8.788 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.687 -7.677 -6.031 1.00 0.00 H new ATOM 420 N LEU A 31 3.409 -3.493 -5.034 1.00 0.00 N ATOM 421 CA LEU A 31 3.941 -3.564 -3.684 1.00 0.00 C ATOM 422 C LEU A 31 2.927 -2.962 -2.709 1.00 0.00 C ATOM 423 O LEU A 31 2.505 -3.623 -1.761 1.00 0.00 O ATOM 424 CB LEU A 31 5.321 -2.908 -3.617 1.00 0.00 C ATOM 425 CG LEU A 31 6.511 -3.816 -3.937 1.00 0.00 C ATOM 426 CD1 LEU A 31 7.803 -3.004 -4.057 1.00 0.00 C ATOM 427 CD2 LEU A 31 6.635 -4.941 -2.907 1.00 0.00 C ATOM 0 H LEU A 31 4.021 -3.036 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 31 4.092 -4.602 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.335 -2.066 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.459 -2.500 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 31 6.333 -4.284 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.633 -3.673 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.699 -2.270 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.999 -2.490 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.488 -5.571 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.780 -4.512 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.726 -5.542 -2.913 1.00 0.00 H new ATOM 439 N VAL A 32 2.565 -1.716 -2.975 1.00 0.00 N ATOM 440 CA VAL A 32 1.608 -1.018 -2.133 1.00 0.00 C ATOM 441 C VAL A 32 0.489 -1.982 -1.734 1.00 0.00 C ATOM 442 O VAL A 32 0.294 -2.256 -0.551 1.00 0.00 O ATOM 443 CB VAL A 32 1.093 0.231 -2.851 1.00 0.00 C ATOM 444 CG1 VAL A 32 -0.112 0.826 -2.119 1.00 0.00 C ATOM 445 CG2 VAL A 32 2.206 1.270 -3.010 1.00 0.00 C ATOM 0 H VAL A 32 2.917 -1.171 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 32 2.085 -0.675 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 32 0.767 -0.066 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.459 1.713 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.914 0.089 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.178 1.100 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.814 2.148 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.576 1.560 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.022 0.843 -3.593 1.00 0.00 H new ATOM 455 N LEU A 33 -0.218 -2.469 -2.743 1.00 0.00 N ATOM 456 CA LEU A 33 -1.312 -3.396 -2.512 1.00 0.00 C ATOM 457 C LEU A 33 -0.909 -4.394 -1.425 1.00 0.00 C ATOM 458 O LEU A 33 -1.401 -4.325 -0.300 1.00 0.00 O ATOM 459 CB LEU A 33 -1.742 -4.056 -3.824 1.00 0.00 C ATOM 460 CG LEU A 33 -2.762 -3.282 -4.662 1.00 0.00 C ATOM 461 CD1 LEU A 33 -2.726 -3.733 -6.123 1.00 0.00 C ATOM 462 CD2 LEU A 33 -4.164 -3.395 -4.061 1.00 0.00 C ATOM 0 H LEU A 33 -0.054 -2.239 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.191 -2.864 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.853 -4.222 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.159 -5.037 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.489 -2.227 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.460 -3.167 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.732 -3.558 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.960 -4.796 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.870 -2.836 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.462 -4.443 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.161 -2.987 -3.050 1.00 0.00 H new ATOM 474 N GLN A 34 -0.016 -5.300 -1.800 1.00 0.00 N ATOM 475 CA GLN A 34 0.459 -6.311 -0.871 1.00 0.00 C ATOM 476 C GLN A 34 0.640 -5.707 0.524 1.00 0.00 C ATOM 477 O GLN A 34 -0.068 -6.074 1.459 1.00 0.00 O ATOM 478 CB GLN A 34 1.760 -6.943 -1.368 1.00 0.00 C ATOM 479 CG GLN A 34 1.861 -8.406 -0.930 1.00 0.00 C ATOM 480 CD GLN A 34 3.118 -8.641 -0.089 1.00 0.00 C ATOM 481 OE1 GLN A 34 3.142 -8.423 1.111 1.00 0.00 O ATOM 482 NE2 GLN A 34 4.157 -9.096 -0.783 1.00 0.00 N ATOM 0 H GLN A 34 0.390 -5.354 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.290 -7.101 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.806 -6.881 -2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.612 -6.384 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.977 -8.679 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.880 -9.052 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.069 -9.257 -1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.042 -9.284 -0.312 1.00 0.00 H new ATOM 491 N ASP A 35 1.593 -4.792 0.618 1.00 0.00 N ATOM 492 CA ASP A 35 1.876 -4.134 1.882 1.00 0.00 C ATOM 493 C ASP A 35 0.559 -3.751 2.559 1.00 0.00 C ATOM 494 O ASP A 35 0.388 -3.965 3.759 1.00 0.00 O ATOM 495 CB ASP A 35 2.687 -2.854 1.668 1.00 0.00 C ATOM 496 CG ASP A 35 3.242 -2.219 2.944 1.00 0.00 C ATOM 497 OD1 ASP A 35 4.338 -2.650 3.363 1.00 0.00 O ATOM 498 OD2 ASP A 35 2.557 -1.316 3.472 1.00 0.00 O ATOM 0 H ASP A 35 2.179 -4.491 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 35 2.449 -4.825 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.519 -3.076 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.057 -2.123 1.161 1.00 0.00 H new ATOM 503 N LEU A 36 -0.339 -3.192 1.762 1.00 0.00 N ATOM 504 CA LEU A 36 -1.636 -2.778 2.269 1.00 0.00 C ATOM 505 C LEU A 36 -2.355 -3.988 2.867 1.00 0.00 C ATOM 506 O LEU A 36 -2.964 -3.890 3.932 1.00 0.00 O ATOM 507 CB LEU A 36 -2.436 -2.064 1.177 1.00 0.00 C ATOM 508 CG LEU A 36 -2.845 -0.621 1.480 1.00 0.00 C ATOM 509 CD1 LEU A 36 -1.686 0.343 1.218 1.00 0.00 C ATOM 510 CD2 LEU A 36 -4.102 -0.233 0.699 1.00 0.00 C ATOM 0 H LEU A 36 -0.194 -3.016 0.768 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.516 -2.050 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.846 -2.069 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.338 -2.642 0.978 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.090 -0.549 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.003 1.362 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.841 0.078 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.387 0.277 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.372 0.797 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.909 -0.325 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.922 -0.895 0.978 1.00 0.00 H new ATOM 522 N GLN A 37 -2.262 -5.102 2.156 1.00 0.00 N ATOM 523 CA GLN A 37 -2.897 -6.331 2.603 1.00 0.00 C ATOM 524 C GLN A 37 -2.237 -6.832 3.889 1.00 0.00 C ATOM 525 O GLN A 37 -2.734 -7.759 4.525 1.00 0.00 O ATOM 526 CB GLN A 37 -2.851 -7.401 1.510 1.00 0.00 C ATOM 527 CG GLN A 37 -3.985 -7.204 0.502 1.00 0.00 C ATOM 528 CD GLN A 37 -4.278 -8.502 -0.253 1.00 0.00 C ATOM 529 OE1 GLN A 37 -3.445 -9.386 -0.368 1.00 0.00 O ATOM 530 NE2 GLN A 37 -5.506 -8.567 -0.760 1.00 0.00 N ATOM 0 H GLN A 37 -1.757 -5.180 1.273 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.945 -6.119 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.891 -7.359 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.928 -8.390 1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.884 -6.870 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.715 -6.420 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.154 -7.791 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.799 -9.393 -1.282 1.00 0.00 H new ATOM 539 N LEU A 38 -1.126 -6.196 4.233 1.00 0.00 N ATOM 540 CA LEU A 38 -0.393 -6.565 5.431 1.00 0.00 C ATOM 541 C LEU A 38 -0.624 -5.507 6.512 1.00 0.00 C ATOM 542 O LEU A 38 -1.148 -5.812 7.582 1.00 0.00 O ATOM 543 CB LEU A 38 1.083 -6.799 5.105 1.00 0.00 C ATOM 544 CG LEU A 38 1.378 -7.422 3.739 1.00 0.00 C ATOM 545 CD1 LEU A 38 2.755 -8.090 3.727 1.00 0.00 C ATOM 546 CD2 LEU A 38 0.268 -8.389 3.326 1.00 0.00 C ATOM 0 H LEU A 38 -0.716 -5.427 3.702 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.762 -7.511 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.604 -5.844 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.507 -7.443 5.875 1.00 0.00 H new ATOM 0 HG LEU A 38 1.401 -6.624 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.940 -8.525 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.522 -7.347 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.785 -8.875 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.503 -8.818 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.188 -9.187 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.679 -7.852 3.268 1.00 0.00 H new ATOM 558 N THR A 39 -0.223 -4.285 6.194 1.00 0.00 N ATOM 559 CA THR A 39 -0.380 -3.180 7.125 1.00 0.00 C ATOM 560 C THR A 39 -1.859 -2.820 7.280 1.00 0.00 C ATOM 561 O THR A 39 -2.320 -2.540 8.386 1.00 0.00 O ATOM 562 CB THR A 39 0.479 -2.017 6.626 1.00 0.00 C ATOM 563 OG1 THR A 39 -0.004 -1.767 5.310 1.00 0.00 O ATOM 564 CG2 THR A 39 1.941 -2.417 6.417 1.00 0.00 C ATOM 0 H THR A 39 0.210 -4.036 5.305 1.00 0.00 H new ATOM 0 HA THR A 39 -0.037 -3.452 8.123 1.00 0.00 H new ATOM 0 HB THR A 39 0.426 -1.195 7.340 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.266 -2.499 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.507 -1.555 6.063 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.362 -2.764 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.997 -3.217 5.679 1.00 0.00 H new ATOM 572 N ARG A 40 -2.561 -2.839 6.157 1.00 0.00 N ATOM 573 CA ARG A 40 -3.978 -2.518 6.155 1.00 0.00 C ATOM 574 C ARG A 40 -4.202 -1.101 6.686 1.00 0.00 C ATOM 575 O ARG A 40 -5.138 -0.861 7.448 1.00 0.00 O ATOM 576 CB ARG A 40 -4.768 -3.508 7.013 1.00 0.00 C ATOM 577 CG ARG A 40 -4.784 -4.898 6.372 1.00 0.00 C ATOM 578 CD ARG A 40 -4.205 -5.947 7.324 1.00 0.00 C ATOM 579 NE ARG A 40 -5.103 -7.121 7.392 1.00 0.00 N ATOM 580 CZ ARG A 40 -4.940 -8.144 8.241 1.00 0.00 C ATOM 581 NH1 ARG A 40 -3.911 -8.145 9.099 1.00 0.00 N ATOM 582 NH2 ARG A 40 -5.805 -9.167 8.231 1.00 0.00 N ATOM 0 H ARG A 40 -2.175 -3.072 5.242 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.332 -2.584 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.325 -3.567 8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.790 -3.150 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.806 -5.168 6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.207 -4.883 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.217 -6.254 6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.079 -5.518 8.318 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.896 -7.153 6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.252 -7.367 9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.787 -8.924 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.588 -9.167 7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.681 -9.946 8.878 1.00 0.00 H new ATOM 596 N SER A 41 -3.328 -0.200 6.264 1.00 0.00 N ATOM 597 CA SER A 41 -3.419 1.187 6.688 1.00 0.00 C ATOM 598 C SER A 41 -2.429 2.042 5.895 1.00 0.00 C ATOM 599 O SER A 41 -1.230 2.030 6.173 1.00 0.00 O ATOM 600 CB SER A 41 -3.155 1.322 8.188 1.00 0.00 C ATOM 601 OG SER A 41 -4.329 1.087 8.961 1.00 0.00 O ATOM 0 H SER A 41 -2.553 -0.403 5.633 1.00 0.00 H new ATOM 0 HA SER A 41 -4.432 1.540 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.379 0.616 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.775 2.321 8.401 1.00 0.00 H new ATOM 0 HG SER A 41 -4.719 0.224 8.709 1.00 0.00 H new ATOM 607 N VAL A 42 -2.965 2.765 4.923 1.00 0.00 N ATOM 608 CA VAL A 42 -2.144 3.625 4.088 1.00 0.00 C ATOM 609 C VAL A 42 -1.085 4.309 4.955 1.00 0.00 C ATOM 610 O VAL A 42 0.019 4.587 4.489 1.00 0.00 O ATOM 611 CB VAL A 42 -3.027 4.617 3.330 1.00 0.00 C ATOM 612 CG1 VAL A 42 -4.214 3.906 2.676 1.00 0.00 C ATOM 613 CG2 VAL A 42 -3.503 5.743 4.250 1.00 0.00 C ATOM 0 H VAL A 42 -3.959 2.773 4.695 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.619 3.037 3.335 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.425 5.063 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.826 4.634 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.848 3.157 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.815 3.420 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.129 6.434 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.080 5.321 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.640 6.277 4.648 1.00 0.00 H new ATOM 623 N GLU A 43 -1.458 4.560 6.201 1.00 0.00 N ATOM 624 CA GLU A 43 -0.554 5.206 7.137 1.00 0.00 C ATOM 625 C GLU A 43 0.652 4.306 7.418 1.00 0.00 C ATOM 626 O GLU A 43 1.795 4.715 7.223 1.00 0.00 O ATOM 627 CB GLU A 43 -1.277 5.573 8.434 1.00 0.00 C ATOM 628 CG GLU A 43 -0.466 6.583 9.248 1.00 0.00 C ATOM 629 CD GLU A 43 -1.176 6.929 10.558 1.00 0.00 C ATOM 630 OE1 GLU A 43 -1.637 5.976 11.223 1.00 0.00 O ATOM 631 OE2 GLU A 43 -1.243 8.139 10.866 1.00 0.00 O ATOM 0 H GLU A 43 -2.374 4.328 6.584 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.196 6.131 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.257 5.991 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.446 4.674 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.521 6.173 9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.314 7.490 8.662 1.00 0.00 H new ATOM 638 N ILE A 44 0.354 3.097 7.872 1.00 0.00 N ATOM 639 CA ILE A 44 1.399 2.136 8.182 1.00 0.00 C ATOM 640 C ILE A 44 2.115 1.734 6.891 1.00 0.00 C ATOM 641 O ILE A 44 3.218 1.192 6.932 1.00 0.00 O ATOM 642 CB ILE A 44 0.824 0.952 8.961 1.00 0.00 C ATOM 643 CG1 ILE A 44 0.293 1.398 10.325 1.00 0.00 C ATOM 644 CG2 ILE A 44 1.852 -0.174 9.086 1.00 0.00 C ATOM 645 CD1 ILE A 44 -1.094 0.811 10.593 1.00 0.00 C ATOM 0 H ILE A 44 -0.596 2.761 8.032 1.00 0.00 H new ATOM 0 HA ILE A 44 2.147 2.584 8.836 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.022 0.554 8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.982 1.083 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.244 2.486 10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.417 -1.003 9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.139 -0.517 8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.733 0.194 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.448 1.144 11.569 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.787 1.148 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.037 -0.277 10.580 1.00 0.00 H new ATOM 657 N THR A 45 1.457 2.014 5.775 1.00 0.00 N ATOM 658 CA THR A 45 2.017 1.688 4.475 1.00 0.00 C ATOM 659 C THR A 45 3.218 2.586 4.171 1.00 0.00 C ATOM 660 O THR A 45 4.292 2.096 3.825 1.00 0.00 O ATOM 661 CB THR A 45 0.898 1.799 3.437 1.00 0.00 C ATOM 662 OG1 THR A 45 -0.253 1.300 4.113 1.00 0.00 O ATOM 663 CG2 THR A 45 1.089 0.835 2.265 1.00 0.00 C ATOM 0 H THR A 45 0.542 2.463 5.745 1.00 0.00 H new ATOM 0 HA THR A 45 2.400 0.668 4.454 1.00 0.00 H new ATOM 0 HB THR A 45 0.851 2.821 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.068 0.400 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.268 0.955 1.558 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.033 1.052 1.765 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.102 -0.190 2.635 1.00 0.00 H new ATOM 671 N THR A 46 2.997 3.885 4.312 1.00 0.00 N ATOM 672 CA THR A 46 4.047 4.855 4.057 1.00 0.00 C ATOM 673 C THR A 46 5.166 4.714 5.091 1.00 0.00 C ATOM 674 O THR A 46 6.332 4.960 4.786 1.00 0.00 O ATOM 675 CB THR A 46 3.411 6.246 4.036 1.00 0.00 C ATOM 676 OG1 THR A 46 2.775 6.356 5.306 1.00 0.00 O ATOM 677 CG2 THR A 46 2.261 6.349 3.032 1.00 0.00 C ATOM 0 H THR A 46 2.105 4.288 4.600 1.00 0.00 H new ATOM 0 HA THR A 46 4.518 4.683 3.089 1.00 0.00 H new ATOM 0 HB THR A 46 4.171 6.989 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.338 7.230 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.845 7.356 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.633 6.135 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.485 5.629 3.293 1.00 0.00 H new ATOM 685 N ASP A 47 4.772 4.318 6.292 1.00 0.00 N ATOM 686 CA ASP A 47 5.727 4.141 7.373 1.00 0.00 C ATOM 687 C ASP A 47 6.872 3.247 6.894 1.00 0.00 C ATOM 688 O ASP A 47 7.967 3.281 7.454 1.00 0.00 O ATOM 689 CB ASP A 47 5.073 3.465 8.580 1.00 0.00 C ATOM 690 CG ASP A 47 4.729 4.403 9.738 1.00 0.00 C ATOM 691 OD1 ASP A 47 5.369 5.475 9.810 1.00 0.00 O ATOM 692 OD2 ASP A 47 3.834 4.028 10.526 1.00 0.00 O ATOM 0 H ASP A 47 3.804 4.115 6.541 1.00 0.00 H new ATOM 0 HA ASP A 47 6.093 5.125 7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.160 2.970 8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.742 2.687 8.949 1.00 0.00 H new ATOM 697 N ASN A 48 6.581 2.468 5.862 1.00 0.00 N ATOM 698 CA ASN A 48 7.574 1.567 5.302 1.00 0.00 C ATOM 699 C ASN A 48 8.447 2.332 4.305 1.00 0.00 C ATOM 700 O ASN A 48 9.624 2.018 4.136 1.00 0.00 O ATOM 701 CB ASN A 48 6.907 0.410 4.554 1.00 0.00 C ATOM 702 CG ASN A 48 5.728 -0.151 5.351 1.00 0.00 C ATOM 703 OD1 ASN A 48 5.837 -0.484 6.520 1.00 0.00 O ATOM 704 ND2 ASN A 48 4.597 -0.235 4.657 1.00 0.00 N ATOM 0 H ASN A 48 5.672 2.442 5.399 1.00 0.00 H new ATOM 0 HA ASN A 48 8.171 1.171 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.561 0.754 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.637 -0.379 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.752 -0.595 5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.574 0.061 3.681 1.00 0.00 H new ATOM 711 N ILE A 49 7.836 3.323 3.672 1.00 0.00 N ATOM 712 CA ILE A 49 8.543 4.136 2.697 1.00 0.00 C ATOM 713 C ILE A 49 9.212 5.314 3.410 1.00 0.00 C ATOM 714 O ILE A 49 10.428 5.480 3.335 1.00 0.00 O ATOM 715 CB ILE A 49 7.602 4.556 1.566 1.00 0.00 C ATOM 716 CG1 ILE A 49 6.889 3.342 0.967 1.00 0.00 C ATOM 717 CG2 ILE A 49 8.349 5.364 0.503 1.00 0.00 C ATOM 718 CD1 ILE A 49 5.375 3.559 0.931 1.00 0.00 C ATOM 0 H ILE A 49 6.860 3.581 3.815 1.00 0.00 H new ATOM 0 HA ILE A 49 9.336 3.558 2.223 1.00 0.00 H new ATOM 0 HB ILE A 49 6.834 5.207 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.258 3.160 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.119 2.454 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.657 5.650 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.771 6.260 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.152 4.758 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.892 2.682 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.006 3.716 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.147 4.434 0.322 1.00 0.00 H new ATOM 730 N LEU A 50 8.387 6.100 4.086 1.00 0.00 N ATOM 731 CA LEU A 50 8.883 7.257 4.811 1.00 0.00 C ATOM 732 C LEU A 50 10.197 6.893 5.506 1.00 0.00 C ATOM 733 O LEU A 50 11.187 7.613 5.386 1.00 0.00 O ATOM 734 CB LEU A 50 7.811 7.792 5.764 1.00 0.00 C ATOM 735 CG LEU A 50 6.895 8.880 5.199 1.00 0.00 C ATOM 736 CD1 LEU A 50 5.424 8.490 5.350 1.00 0.00 C ATOM 737 CD2 LEU A 50 7.197 10.237 5.839 1.00 0.00 C ATOM 0 H LEU A 50 7.379 5.958 4.147 1.00 0.00 H new ATOM 0 HA LEU A 50 9.101 8.073 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.192 6.956 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.306 8.186 6.652 1.00 0.00 H new ATOM 0 HG LEU A 50 7.095 8.975 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.794 9.280 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.237 7.561 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.191 8.351 6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.532 10.993 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.042 10.174 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.232 10.512 5.637 1.00 0.00 H new ATOM 749 N GLU A 51 10.163 5.776 6.218 1.00 0.00 N ATOM 750 CA GLU A 51 11.339 5.308 6.932 1.00 0.00 C ATOM 751 C GLU A 51 12.261 4.535 5.987 1.00 0.00 C ATOM 752 O GLU A 51 13.474 4.502 6.187 1.00 0.00 O ATOM 753 CB GLU A 51 10.944 4.451 8.136 1.00 0.00 C ATOM 754 CG GLU A 51 10.747 5.315 9.383 1.00 0.00 C ATOM 755 CD GLU A 51 10.622 4.447 10.637 1.00 0.00 C ATOM 756 OE1 GLU A 51 11.545 3.633 10.858 1.00 0.00 O ATOM 757 OE2 GLU A 51 9.607 4.616 11.346 1.00 0.00 O ATOM 0 H GLU A 51 9.340 5.182 6.316 1.00 0.00 H new ATOM 0 HA GLU A 51 11.881 6.176 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.024 3.910 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.716 3.705 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.588 5.999 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.852 5.926 9.269 1.00 0.00 H new ATOM 764 N GLY A 52 11.650 3.932 4.978 1.00 0.00 N ATOM 765 CA GLY A 52 12.401 3.161 4.001 1.00 0.00 C ATOM 766 C GLY A 52 12.593 1.718 4.472 1.00 0.00 C ATOM 767 O GLY A 52 13.429 1.448 5.333 1.00 0.00 O ATOM 0 H GLY A 52 10.643 3.962 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.877 3.169 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.373 3.626 3.835 1.00 0.00 H new ATOM 771 N ARG A 53 11.804 0.829 3.887 1.00 0.00 N ATOM 772 CA ARG A 53 11.876 -0.580 4.236 1.00 0.00 C ATOM 773 C ARG A 53 11.651 -1.446 2.995 1.00 0.00 C ATOM 774 O ARG A 53 12.446 -2.339 2.704 1.00 0.00 O ATOM 775 CB ARG A 53 10.833 -0.939 5.296 1.00 0.00 C ATOM 776 CG ARG A 53 11.503 -1.299 6.624 1.00 0.00 C ATOM 777 CD ARG A 53 11.347 -2.790 6.930 1.00 0.00 C ATOM 778 NE ARG A 53 10.961 -2.978 8.346 1.00 0.00 N ATOM 779 CZ ARG A 53 9.826 -2.510 8.884 1.00 0.00 C ATOM 780 NH1 ARG A 53 8.960 -1.824 8.127 1.00 0.00 N ATOM 781 NH2 ARG A 53 9.558 -2.729 10.178 1.00 0.00 N ATOM 0 H ARG A 53 11.112 1.057 3.174 1.00 0.00 H new ATOM 0 HA ARG A 53 12.870 -0.771 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.154 -0.099 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.231 -1.779 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.561 -1.041 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.062 -0.711 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.591 -3.227 6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.283 -3.311 6.727 1.00 0.00 H new ATOM 0 HE ARG A 53 11.599 -3.496 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.164 -1.658 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.096 -1.468 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.218 -3.252 10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.694 -2.373 10.587 1.00 0.00 H new ATOM 795 N ILE A 54 10.565 -1.152 2.296 1.00 0.00 N ATOM 796 CA ILE A 54 10.225 -1.892 1.093 1.00 0.00 C ATOM 797 C ILE A 54 11.148 -1.456 -0.047 1.00 0.00 C ATOM 798 O ILE A 54 10.900 -0.443 -0.698 1.00 0.00 O ATOM 799 CB ILE A 54 8.737 -1.740 0.772 1.00 0.00 C ATOM 800 CG1 ILE A 54 7.872 -2.254 1.924 1.00 0.00 C ATOM 801 CG2 ILE A 54 8.390 -2.420 -0.554 1.00 0.00 C ATOM 802 CD1 ILE A 54 6.626 -1.385 2.105 1.00 0.00 C ATOM 0 H ILE A 54 9.908 -0.411 2.540 1.00 0.00 H new ATOM 0 HA ILE A 54 10.387 -2.959 1.244 1.00 0.00 H new ATOM 0 HB ILE A 54 8.519 -0.678 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.576 -3.285 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.453 -2.259 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.326 -2.297 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.969 -1.966 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.627 -3.482 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.029 -1.773 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.926 -0.360 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.034 -1.402 1.190 1.00 0.00 H new ATOM 814 N GLN A 55 12.194 -2.244 -0.253 1.00 0.00 N ATOM 815 CA GLN A 55 13.155 -1.952 -1.303 1.00 0.00 C ATOM 816 C GLN A 55 12.522 -2.173 -2.678 1.00 0.00 C ATOM 817 O GLN A 55 12.177 -3.300 -3.033 1.00 0.00 O ATOM 818 CB GLN A 55 14.420 -2.796 -1.139 1.00 0.00 C ATOM 819 CG GLN A 55 14.112 -4.284 -1.317 1.00 0.00 C ATOM 820 CD GLN A 55 15.243 -5.149 -0.757 1.00 0.00 C ATOM 821 OE1 GLN A 55 15.786 -4.894 0.306 1.00 0.00 O ATOM 822 NE2 GLN A 55 15.568 -6.182 -1.529 1.00 0.00 N ATOM 0 H GLN A 55 12.397 -3.084 0.289 1.00 0.00 H new ATOM 0 HA GLN A 55 13.445 -0.904 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 55 15.166 -2.485 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.850 -2.625 -0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.178 -4.529 -0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.970 -4.506 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.073 -6.338 -2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.312 -6.818 -1.243 1.00 0.00 H new ATOM 831 N VAL A 56 12.389 -1.081 -3.416 1.00 0.00 N ATOM 832 CA VAL A 56 11.804 -1.142 -4.745 1.00 0.00 C ATOM 833 C VAL A 56 12.779 -1.841 -5.695 1.00 0.00 C ATOM 834 O VAL A 56 13.991 -1.660 -5.590 1.00 0.00 O ATOM 835 CB VAL A 56 11.418 0.263 -5.212 1.00 0.00 C ATOM 836 CG1 VAL A 56 10.968 0.250 -6.674 1.00 0.00 C ATOM 837 CG2 VAL A 56 10.337 0.862 -4.311 1.00 0.00 C ATOM 0 H VAL A 56 12.676 -0.148 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 56 10.886 -1.729 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 56 12.303 0.895 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.699 1.261 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.781 -0.116 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.103 -0.404 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.081 1.861 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.450 0.229 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.709 0.924 -3.288 1.00 0.00 H new ATOM 847 N PRO A 57 12.198 -2.645 -6.625 1.00 0.00 N ATOM 848 CA PRO A 57 13.002 -3.372 -7.593 1.00 0.00 C ATOM 849 C PRO A 57 13.529 -2.435 -8.682 1.00 0.00 C ATOM 850 O PRO A 57 13.550 -1.219 -8.502 1.00 0.00 O ATOM 851 CB PRO A 57 12.082 -4.454 -8.135 1.00 0.00 C ATOM 852 CG PRO A 57 10.669 -4.007 -7.798 1.00 0.00 C ATOM 853 CD PRO A 57 10.766 -2.883 -6.779 1.00 0.00 C ATOM 0 HA PRO A 57 13.896 -3.812 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.208 -4.571 -9.211 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.305 -5.420 -7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.153 -3.665 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.091 -4.839 -7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.251 -1.988 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.308 -3.167 -5.832 1.00 0.00 H new ATOM 861 N PHE A 58 13.941 -3.038 -9.788 1.00 0.00 N ATOM 862 CA PHE A 58 14.466 -2.273 -10.906 1.00 0.00 C ATOM 863 C PHE A 58 13.530 -1.118 -11.267 1.00 0.00 C ATOM 864 O PHE A 58 13.935 0.044 -11.248 1.00 0.00 O ATOM 865 CB PHE A 58 14.561 -3.228 -12.096 1.00 0.00 C ATOM 866 CG PHE A 58 15.579 -4.356 -11.910 1.00 0.00 C ATOM 867 CD1 PHE A 58 16.877 -4.166 -12.266 1.00 0.00 C ATOM 868 CD2 PHE A 58 15.185 -5.548 -11.387 1.00 0.00 C ATOM 869 CE1 PHE A 58 17.822 -5.212 -12.093 1.00 0.00 C ATOM 870 CE2 PHE A 58 16.129 -6.594 -11.214 1.00 0.00 C ATOM 871 CZ PHE A 58 17.428 -6.404 -11.570 1.00 0.00 C ATOM 0 H PHE A 58 13.922 -4.047 -9.933 1.00 0.00 H new ATOM 0 HA PHE A 58 15.437 -1.851 -10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 58 13.579 -3.665 -12.277 1.00 0.00 H new ATOM 0 HB3 PHE A 58 14.825 -2.657 -12.986 1.00 0.00 H new ATOM 0 HD1 PHE A 58 17.190 -3.219 -12.681 1.00 0.00 H new ATOM 0 HD2 PHE A 58 14.154 -5.699 -11.103 1.00 0.00 H new ATOM 0 HE1 PHE A 58 18.853 -5.061 -12.377 1.00 0.00 H new ATOM 0 HE2 PHE A 58 15.816 -7.541 -10.800 1.00 0.00 H new ATOM 0 HZ PHE A 58 18.146 -7.200 -11.437 1.00 0.00 H new TER 881 PHE A 58