USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 560 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 25 ASN : amide:sc=-0.00569 X(o=-0.0057,f=0) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 2.06 (180deg=1.16) USER MOD Set 2.2: A 3 HIS : no HE2:sc= 0.721 K(o=2.8,f=-1.3) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 177:sc= 0 (180deg=-0.0088) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 12 GLN : amide:sc= 0.954 K(o=0.95,f=-0.14) USER MOD Single : A 14 GLN : amide:sc= 0.45 X(o=0.45,f=-0.014) USER MOD Single : A 16 GLN : amide:sc= 1.02 K(o=1,f=-0.25) USER MOD Single : A 17 GLN : amide:sc= 0.885 K(o=0.89,f=0) USER MOD Single : A 18 MET CE :methyl -167:sc= 0 (180deg=-0.102) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 23 GLN : amide:sc= 1.74 K(o=1.7,f=-0.09) USER MOD Single : A 24 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.841 K(o=0.84,f=-7.1!) USER MOD Single : A 35 GLN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 45 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.083) USER MOD Single : A 46 GLN : amide:sc= 0.525 K(o=0.53,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 50 HIS : no HD1:sc=-0.00752 X(o=-0.0075,f=-0.0075) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.805 K(o=0.81,f=-0.0078) USER MOD Single : A 57 MET CE :methyl 166:sc= -0.0244 (180deg=-0.124) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.292 -11.440 5.380 1.00 10.00 N ATOM 2 CA GLY A 1 15.596 -12.742 5.304 1.00 10.00 C ATOM 3 C GLY A 1 14.186 -12.669 5.871 1.00 10.00 C ATOM 4 O GLY A 1 13.670 -11.587 6.149 1.00 10.00 O ATOM 0 H1 GLY A 1 17.249 -11.534 4.983 1.00 10.00 H new ATOM 0 H2 GLY A 1 15.760 -10.730 4.837 1.00 10.00 H new ATOM 0 H3 GLY A 1 16.357 -11.139 6.373 1.00 10.00 H new ATOM 0 HA2 GLY A 1 15.552 -13.070 4.265 1.00 10.00 H new ATOM 0 HA3 GLY A 1 16.168 -13.491 5.851 1.00 10.00 H new ATOM 10 N SER A 2 13.549 -13.830 6.067 1.00 10.00 N ATOM 11 CA SER A 2 12.127 -13.982 6.448 1.00 10.00 C ATOM 12 C SER A 2 11.700 -13.308 7.765 1.00 10.00 C ATOM 13 O SER A 2 10.507 -13.091 7.985 1.00 10.00 O ATOM 14 CB SER A 2 11.765 -15.473 6.517 1.00 10.00 C ATOM 15 OG SER A 2 12.132 -16.133 5.312 1.00 10.00 O ATOM 0 H SER A 2 14.022 -14.727 5.962 1.00 10.00 H new ATOM 0 HA SER A 2 11.581 -13.457 5.664 1.00 10.00 H new ATOM 0 HB2 SER A 2 12.273 -15.938 7.362 1.00 10.00 H new ATOM 0 HB3 SER A 2 10.694 -15.585 6.688 1.00 10.00 H new ATOM 0 HG SER A 2 11.896 -17.082 5.374 1.00 10.00 H new ATOM 21 N HIS A 3 12.652 -12.935 8.630 1.00 10.00 N ATOM 22 CA HIS A 3 12.430 -12.068 9.799 1.00 10.00 C ATOM 23 C HIS A 3 11.808 -10.699 9.440 1.00 10.00 C ATOM 24 O HIS A 3 11.117 -10.100 10.267 1.00 10.00 O ATOM 25 CB HIS A 3 13.757 -11.892 10.557 1.00 10.00 C ATOM 26 CG HIS A 3 14.855 -11.253 9.738 1.00 10.00 C ATOM 27 ND1 HIS A 3 15.032 -9.904 9.515 1.00 10.00 N ATOM 28 CD2 HIS A 3 15.848 -11.905 9.056 1.00 10.00 C ATOM 29 CE1 HIS A 3 16.094 -9.746 8.708 1.00 10.00 C ATOM 30 NE2 HIS A 3 16.620 -10.943 8.388 1.00 10.00 N ATOM 0 H HIS A 3 13.623 -13.234 8.536 1.00 10.00 H new ATOM 0 HA HIS A 3 11.698 -12.561 10.438 1.00 10.00 H new ATOM 0 HB2 HIS A 3 13.579 -11.284 11.444 1.00 10.00 H new ATOM 0 HB3 HIS A 3 14.098 -12.868 10.903 1.00 10.00 H new ATOM 0 HD1 HIS A 3 14.455 -9.155 9.897 1.00 10.00 H new ATOM 0 HD2 HIS A 3 16.008 -12.973 9.036 1.00 10.00 H new ATOM 0 HE1 HIS A 3 16.472 -8.794 8.365 1.00 10.00 H new ATOM 38 N MET A 4 12.012 -10.221 8.206 1.00 10.00 N ATOM 39 CA MET A 4 11.298 -9.094 7.599 1.00 10.00 C ATOM 40 C MET A 4 10.097 -9.643 6.796 1.00 10.00 C ATOM 41 O MET A 4 10.304 -10.284 5.760 1.00 10.00 O ATOM 42 CB MET A 4 12.288 -8.310 6.718 1.00 10.00 C ATOM 43 CG MET A 4 11.661 -7.094 6.032 1.00 10.00 C ATOM 44 SD MET A 4 10.887 -5.866 7.125 1.00 10.00 S ATOM 45 CE MET A 4 12.344 -5.214 7.988 1.00 10.00 C ATOM 0 H MET A 4 12.707 -10.626 7.579 1.00 10.00 H new ATOM 0 HA MET A 4 10.906 -8.411 8.352 1.00 10.00 H new ATOM 0 HB2 MET A 4 13.126 -7.979 7.332 1.00 10.00 H new ATOM 0 HB3 MET A 4 12.694 -8.978 5.958 1.00 10.00 H new ATOM 0 HG2 MET A 4 12.434 -6.594 5.448 1.00 10.00 H new ATOM 0 HG3 MET A 4 10.908 -7.448 5.328 1.00 10.00 H new ATOM 0 HE1 MET A 4 12.040 -4.410 8.658 1.00 10.00 H new ATOM 0 HE2 MET A 4 12.812 -6.011 8.566 1.00 10.00 H new ATOM 0 HE3 MET A 4 13.057 -4.829 7.259 1.00 10.00 H new ATOM 55 N PRO A 5 8.839 -9.444 7.244 1.00 10.00 N ATOM 56 CA PRO A 5 7.686 -10.224 6.771 1.00 10.00 C ATOM 57 C PRO A 5 7.203 -9.909 5.341 1.00 10.00 C ATOM 58 O PRO A 5 6.379 -10.651 4.801 1.00 10.00 O ATOM 59 CB PRO A 5 6.578 -9.966 7.800 1.00 10.00 C ATOM 60 CG PRO A 5 6.915 -8.579 8.340 1.00 10.00 C ATOM 61 CD PRO A 5 8.441 -8.594 8.360 1.00 10.00 C ATOM 0 HA PRO A 5 7.978 -11.272 6.695 1.00 10.00 H new ATOM 0 HB2 PRO A 5 5.590 -9.990 7.341 1.00 10.00 H new ATOM 0 HB3 PRO A 5 6.580 -10.717 8.590 1.00 10.00 H new ATOM 0 HG2 PRO A 5 6.525 -7.788 7.699 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.498 -8.418 9.334 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.844 -7.587 8.250 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.817 -8.986 9.305 1.00 10.00 H new ATOM 69 N LEU A 6 7.704 -8.834 4.718 1.00 10.00 N ATOM 70 CA LEU A 6 7.277 -8.336 3.398 1.00 10.00 C ATOM 71 C LEU A 6 8.459 -8.066 2.441 1.00 10.00 C ATOM 72 O LEU A 6 8.283 -7.422 1.407 1.00 10.00 O ATOM 73 CB LEU A 6 6.429 -7.061 3.605 1.00 10.00 C ATOM 74 CG LEU A 6 5.085 -7.241 4.336 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.462 -5.858 4.526 1.00 10.00 C ATOM 76 CD2 LEU A 6 4.087 -8.100 3.556 1.00 10.00 C ATOM 0 H LEU A 6 8.443 -8.266 5.131 1.00 10.00 H new ATOM 0 HA LEU A 6 6.683 -9.113 2.917 1.00 10.00 H new ATOM 0 HB2 LEU A 6 7.027 -6.340 4.163 1.00 10.00 H new ATOM 0 HB3 LEU A 6 6.230 -6.621 2.628 1.00 10.00 H new ATOM 0 HG LEU A 6 5.290 -7.746 5.280 1.00 10.00 H new ATOM 0 HD11 LEU A 6 3.507 -5.957 5.042 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.132 -5.235 5.119 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.302 -5.394 3.553 1.00 10.00 H new ATOM 0 HD21 LEU A 6 3.161 -8.189 4.124 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.879 -7.632 2.594 1.00 10.00 H new ATOM 0 HD23 LEU A 6 4.509 -9.092 3.394 1.00 10.00 H new ATOM 88 N GLU A 7 9.672 -8.532 2.769 1.00 10.00 N ATOM 89 CA GLU A 7 10.930 -8.133 2.106 1.00 10.00 C ATOM 90 C GLU A 7 10.923 -8.265 0.571 1.00 10.00 C ATOM 91 O GLU A 7 11.565 -7.471 -0.111 1.00 10.00 O ATOM 92 CB GLU A 7 12.095 -8.953 2.690 1.00 10.00 C ATOM 93 CG GLU A 7 13.451 -8.243 2.557 1.00 10.00 C ATOM 94 CD GLU A 7 14.610 -9.253 2.509 1.00 10.00 C ATOM 95 OE1 GLU A 7 14.962 -9.710 1.393 1.00 10.00 O ATOM 96 OE2 GLU A 7 15.176 -9.592 3.575 1.00 10.00 O ATOM 0 H GLU A 7 9.813 -9.211 3.517 1.00 10.00 H new ATOM 0 HA GLU A 7 11.049 -7.068 2.307 1.00 10.00 H new ATOM 0 HB2 GLU A 7 11.898 -9.156 3.743 1.00 10.00 H new ATOM 0 HB3 GLU A 7 12.144 -9.917 2.184 1.00 10.00 H new ATOM 0 HG2 GLU A 7 13.458 -7.635 1.652 1.00 10.00 H new ATOM 0 HG3 GLU A 7 13.592 -7.564 3.398 1.00 10.00 H new ATOM 103 N PHE A 8 10.186 -9.229 0.008 1.00 10.00 N ATOM 104 CA PHE A 8 10.066 -9.439 -1.442 1.00 10.00 C ATOM 105 C PHE A 8 9.542 -8.213 -2.220 1.00 10.00 C ATOM 106 O PHE A 8 9.911 -8.021 -3.380 1.00 10.00 O ATOM 107 CB PHE A 8 9.164 -10.658 -1.688 1.00 10.00 C ATOM 108 CG PHE A 8 8.975 -11.004 -3.155 1.00 10.00 C ATOM 109 CD1 PHE A 8 9.980 -11.704 -3.850 1.00 10.00 C ATOM 110 CD2 PHE A 8 7.810 -10.597 -3.837 1.00 10.00 C ATOM 111 CE1 PHE A 8 9.821 -11.996 -5.218 1.00 10.00 C ATOM 112 CE2 PHE A 8 7.654 -10.886 -5.204 1.00 10.00 C ATOM 113 CZ PHE A 8 8.659 -11.586 -5.895 1.00 10.00 C ATOM 0 H PHE A 8 9.646 -9.898 0.556 1.00 10.00 H new ATOM 0 HA PHE A 8 11.072 -9.610 -1.826 1.00 10.00 H new ATOM 0 HB2 PHE A 8 9.589 -11.520 -1.174 1.00 10.00 H new ATOM 0 HB3 PHE A 8 8.188 -10.470 -1.241 1.00 10.00 H new ATOM 0 HD1 PHE A 8 10.875 -12.017 -3.332 1.00 10.00 H new ATOM 0 HD2 PHE A 8 7.035 -10.062 -3.308 1.00 10.00 H new ATOM 0 HE1 PHE A 8 10.592 -12.535 -5.748 1.00 10.00 H new ATOM 0 HE2 PHE A 8 6.762 -10.570 -5.724 1.00 10.00 H new ATOM 0 HZ PHE A 8 8.538 -11.808 -6.945 1.00 10.00 H new ATOM 123 N LEU A 9 8.723 -7.355 -1.598 1.00 10.00 N ATOM 124 CA LEU A 9 8.081 -6.204 -2.257 1.00 10.00 C ATOM 125 C LEU A 9 9.072 -5.098 -2.670 1.00 10.00 C ATOM 126 O LEU A 9 8.747 -4.253 -3.506 1.00 10.00 O ATOM 127 CB LEU A 9 7.011 -5.598 -1.322 1.00 10.00 C ATOM 128 CG LEU A 9 5.884 -6.538 -0.849 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.902 -5.754 0.024 1.00 10.00 C ATOM 130 CD2 LEU A 9 5.099 -7.157 -2.002 1.00 10.00 C ATOM 0 H LEU A 9 8.483 -7.440 -0.610 1.00 10.00 H new ATOM 0 HA LEU A 9 7.631 -6.588 -3.172 1.00 10.00 H new ATOM 0 HB2 LEU A 9 7.516 -5.203 -0.440 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.554 -4.751 -1.834 1.00 10.00 H new ATOM 0 HG LEU A 9 6.363 -7.345 -0.295 1.00 10.00 H new ATOM 0 HD11 LEU A 9 4.104 -6.417 0.360 1.00 10.00 H new ATOM 0 HD12 LEU A 9 5.427 -5.351 0.890 1.00 10.00 H new ATOM 0 HD13 LEU A 9 4.474 -4.935 -0.555 1.00 10.00 H new ATOM 0 HD21 LEU A 9 4.321 -7.808 -1.604 1.00 10.00 H new ATOM 0 HD22 LEU A 9 4.642 -6.366 -2.597 1.00 10.00 H new ATOM 0 HD23 LEU A 9 5.773 -7.740 -2.630 1.00 10.00 H new ATOM 142 N ARG A 10 10.268 -5.088 -2.065 1.00 10.00 N ATOM 143 CA ARG A 10 11.171 -3.928 -1.941 1.00 10.00 C ATOM 144 C ARG A 10 11.558 -3.171 -3.220 1.00 10.00 C ATOM 145 O ARG A 10 11.784 -1.964 -3.146 1.00 10.00 O ATOM 146 CB ARG A 10 12.389 -4.341 -1.089 1.00 10.00 C ATOM 147 CG ARG A 10 13.531 -5.130 -1.763 1.00 10.00 C ATOM 148 CD ARG A 10 13.164 -6.322 -2.669 1.00 10.00 C ATOM 149 NE ARG A 10 14.315 -7.232 -2.858 1.00 10.00 N ATOM 150 CZ ARG A 10 14.737 -8.154 -2.006 1.00 10.00 C ATOM 151 NH1 ARG A 10 14.106 -8.407 -0.901 1.00 10.00 N ATOM 152 NH2 ARG A 10 15.815 -8.842 -2.240 1.00 10.00 N ATOM 0 H ARG A 10 10.653 -5.925 -1.628 1.00 10.00 H new ATOM 0 HA ARG A 10 10.582 -3.159 -1.441 1.00 10.00 H new ATOM 0 HB2 ARG A 10 12.819 -3.433 -0.666 1.00 10.00 H new ATOM 0 HB3 ARG A 10 12.022 -4.939 -0.255 1.00 10.00 H new ATOM 0 HG2 ARG A 10 14.113 -4.427 -2.359 1.00 10.00 H new ATOM 0 HG3 ARG A 10 14.188 -5.501 -0.976 1.00 10.00 H new ATOM 0 HD2 ARG A 10 12.332 -6.872 -2.230 1.00 10.00 H new ATOM 0 HD3 ARG A 10 12.827 -5.954 -3.638 1.00 10.00 H new ATOM 0 HE ARG A 10 14.835 -7.140 -3.731 1.00 10.00 H new ATOM 0 HH11 ARG A 10 13.259 -7.889 -0.667 1.00 10.00 H new ATOM 0 HH12 ARG A 10 14.457 -9.124 -0.266 1.00 10.00 H new ATOM 0 HH21 ARG A 10 16.351 -8.676 -3.092 1.00 10.00 H new ATOM 0 HH22 ARG A 10 16.124 -9.548 -1.572 1.00 10.00 H new ATOM 166 N ASN A 11 11.600 -3.830 -4.382 1.00 10.00 N ATOM 167 CA ASN A 11 12.075 -3.256 -5.657 1.00 10.00 C ATOM 168 C ASN A 11 11.348 -3.780 -6.919 1.00 10.00 C ATOM 169 O ASN A 11 11.762 -3.444 -8.030 1.00 10.00 O ATOM 170 CB ASN A 11 13.606 -3.477 -5.757 1.00 10.00 C ATOM 171 CG ASN A 11 14.422 -2.432 -5.009 1.00 10.00 C ATOM 172 OD1 ASN A 11 14.169 -1.237 -5.078 1.00 10.00 O ATOM 173 ND2 ASN A 11 15.449 -2.834 -4.294 1.00 10.00 N ATOM 0 H ASN A 11 11.299 -4.801 -4.470 1.00 10.00 H new ATOM 0 HA ASN A 11 11.835 -2.193 -5.637 1.00 10.00 H new ATOM 0 HB2 ASN A 11 13.849 -4.465 -5.365 1.00 10.00 H new ATOM 0 HB3 ASN A 11 13.898 -3.471 -6.807 1.00 10.00 H new ATOM 0 HD21 ASN A 11 16.027 -2.152 -3.803 1.00 10.00 H new ATOM 0 HD22 ASN A 11 15.668 -3.828 -4.230 1.00 10.00 H new ATOM 180 N GLN A 12 10.281 -4.583 -6.803 1.00 10.00 N ATOM 181 CA GLN A 12 9.601 -5.145 -7.985 1.00 10.00 C ATOM 182 C GLN A 12 8.972 -4.033 -8.857 1.00 10.00 C ATOM 183 O GLN A 12 8.385 -3.102 -8.295 1.00 10.00 O ATOM 184 CB GLN A 12 8.506 -6.153 -7.586 1.00 10.00 C ATOM 185 CG GLN A 12 8.912 -7.222 -6.555 1.00 10.00 C ATOM 186 CD GLN A 12 10.108 -8.083 -6.972 1.00 10.00 C ATOM 187 OE1 GLN A 12 10.399 -8.298 -8.142 1.00 10.00 O ATOM 188 NE2 GLN A 12 10.856 -8.600 -6.023 1.00 10.00 N ATOM 0 H GLN A 12 9.870 -4.858 -5.911 1.00 10.00 H new ATOM 0 HA GLN A 12 10.365 -5.664 -8.563 1.00 10.00 H new ATOM 0 HB2 GLN A 12 7.657 -5.597 -7.188 1.00 10.00 H new ATOM 0 HB3 GLN A 12 8.161 -6.659 -8.487 1.00 10.00 H new ATOM 0 HG2 GLN A 12 9.147 -6.729 -5.612 1.00 10.00 H new ATOM 0 HG3 GLN A 12 8.058 -7.874 -6.370 1.00 10.00 H new ATOM 0 HE21 GLN A 12 10.627 -8.430 -5.044 1.00 10.00 H new ATOM 0 HE22 GLN A 12 11.666 -9.171 -6.266 1.00 10.00 H new ATOM 197 N PRO A 13 9.016 -4.108 -10.204 1.00 10.00 N ATOM 198 CA PRO A 13 8.393 -3.122 -11.099 1.00 10.00 C ATOM 199 C PRO A 13 6.914 -2.816 -10.808 1.00 10.00 C ATOM 200 O PRO A 13 6.481 -1.669 -10.936 1.00 10.00 O ATOM 201 CB PRO A 13 8.568 -3.691 -12.512 1.00 10.00 C ATOM 202 CG PRO A 13 9.836 -4.530 -12.400 1.00 10.00 C ATOM 203 CD PRO A 13 9.734 -5.104 -10.990 1.00 10.00 C ATOM 0 HA PRO A 13 8.878 -2.156 -10.957 1.00 10.00 H new ATOM 0 HB2 PRO A 13 7.711 -4.295 -12.811 1.00 10.00 H new ATOM 0 HB3 PRO A 13 8.674 -2.899 -13.254 1.00 10.00 H new ATOM 0 HG2 PRO A 13 9.870 -5.315 -13.155 1.00 10.00 H new ATOM 0 HG3 PRO A 13 10.734 -3.926 -12.527 1.00 10.00 H new ATOM 0 HD2 PRO A 13 9.203 -6.056 -10.993 1.00 10.00 H new ATOM 0 HD3 PRO A 13 10.723 -5.292 -10.572 1.00 10.00 H new ATOM 211 N GLN A 14 6.139 -3.816 -10.372 1.00 10.00 N ATOM 212 CA GLN A 14 4.733 -3.666 -9.963 1.00 10.00 C ATOM 213 C GLN A 14 4.545 -2.762 -8.724 1.00 10.00 C ATOM 214 O GLN A 14 3.479 -2.165 -8.554 1.00 10.00 O ATOM 215 CB GLN A 14 4.152 -5.076 -9.727 1.00 10.00 C ATOM 216 CG GLN A 14 2.654 -5.128 -9.372 1.00 10.00 C ATOM 217 CD GLN A 14 1.752 -4.516 -10.445 1.00 10.00 C ATOM 218 OE1 GLN A 14 1.308 -5.174 -11.378 1.00 10.00 O ATOM 219 NE2 GLN A 14 1.448 -3.238 -10.358 1.00 10.00 N ATOM 0 H GLN A 14 6.477 -4.775 -10.291 1.00 10.00 H new ATOM 0 HA GLN A 14 4.193 -3.158 -10.762 1.00 10.00 H new ATOM 0 HB2 GLN A 14 4.315 -5.672 -10.625 1.00 10.00 H new ATOM 0 HB3 GLN A 14 4.714 -5.551 -8.923 1.00 10.00 H new ATOM 0 HG2 GLN A 14 2.362 -6.166 -9.212 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.493 -4.603 -8.430 1.00 10.00 H new ATOM 0 HE21 GLN A 14 1.811 -2.679 -9.586 1.00 10.00 H new ATOM 0 HE22 GLN A 14 0.849 -2.807 -11.062 1.00 10.00 H new ATOM 228 N PHE A 15 5.575 -2.631 -7.882 1.00 10.00 N ATOM 229 CA PHE A 15 5.531 -1.947 -6.586 1.00 10.00 C ATOM 230 C PHE A 15 6.407 -0.684 -6.540 1.00 10.00 C ATOM 231 O PHE A 15 6.206 0.159 -5.669 1.00 10.00 O ATOM 232 CB PHE A 15 5.922 -2.956 -5.493 1.00 10.00 C ATOM 233 CG PHE A 15 5.102 -4.242 -5.463 1.00 10.00 C ATOM 234 CD1 PHE A 15 3.701 -4.223 -5.628 1.00 10.00 C ATOM 235 CD2 PHE A 15 5.750 -5.479 -5.284 1.00 10.00 C ATOM 236 CE1 PHE A 15 2.968 -5.424 -5.641 1.00 10.00 C ATOM 237 CE2 PHE A 15 5.024 -6.682 -5.327 1.00 10.00 C ATOM 238 CZ PHE A 15 3.630 -6.655 -5.502 1.00 10.00 C ATOM 0 H PHE A 15 6.497 -3.013 -8.093 1.00 10.00 H new ATOM 0 HA PHE A 15 4.516 -1.589 -6.415 1.00 10.00 H new ATOM 0 HB2 PHE A 15 6.972 -3.218 -5.624 1.00 10.00 H new ATOM 0 HB3 PHE A 15 5.834 -2.467 -4.523 1.00 10.00 H new ATOM 0 HD1 PHE A 15 3.188 -3.280 -5.745 1.00 10.00 H new ATOM 0 HD2 PHE A 15 6.816 -5.504 -5.112 1.00 10.00 H new ATOM 0 HE1 PHE A 15 1.895 -5.399 -5.758 1.00 10.00 H new ATOM 0 HE2 PHE A 15 5.537 -7.627 -5.226 1.00 10.00 H new ATOM 0 HZ PHE A 15 3.069 -7.578 -5.530 1.00 10.00 H new ATOM 248 N GLN A 16 7.329 -0.478 -7.488 1.00 10.00 N ATOM 249 CA GLN A 16 7.956 0.835 -7.718 1.00 10.00 C ATOM 250 C GLN A 16 6.902 1.890 -8.103 1.00 10.00 C ATOM 251 O GLN A 16 6.861 2.978 -7.529 1.00 10.00 O ATOM 252 CB GLN A 16 9.012 0.733 -8.834 1.00 10.00 C ATOM 253 CG GLN A 16 10.276 -0.049 -8.440 1.00 10.00 C ATOM 254 CD GLN A 16 11.304 -0.095 -9.576 1.00 10.00 C ATOM 255 OE1 GLN A 16 11.514 0.862 -10.313 1.00 10.00 O ATOM 256 NE2 GLN A 16 11.986 -1.201 -9.780 1.00 10.00 N ATOM 0 H GLN A 16 7.662 -1.210 -8.115 1.00 10.00 H new ATOM 0 HA GLN A 16 8.437 1.144 -6.790 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.560 0.256 -9.703 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.301 1.739 -9.137 1.00 10.00 H new ATOM 0 HG2 GLN A 16 10.728 0.412 -7.562 1.00 10.00 H new ATOM 0 HG3 GLN A 16 10.000 -1.066 -8.160 1.00 10.00 H new ATOM 0 HE21 GLN A 16 11.832 -2.013 -9.182 1.00 10.00 H new ATOM 0 HE22 GLN A 16 12.669 -1.247 -10.536 1.00 10.00 H new ATOM 265 N GLN A 17 6.013 1.542 -9.042 1.00 10.00 N ATOM 266 CA GLN A 17 5.056 2.464 -9.671 1.00 10.00 C ATOM 267 C GLN A 17 4.035 3.094 -8.709 1.00 10.00 C ATOM 268 O GLN A 17 3.525 4.171 -9.006 1.00 10.00 O ATOM 269 CB GLN A 17 4.307 1.731 -10.795 1.00 10.00 C ATOM 270 CG GLN A 17 5.225 1.420 -11.987 1.00 10.00 C ATOM 271 CD GLN A 17 4.511 0.567 -13.034 1.00 10.00 C ATOM 272 OE1 GLN A 17 3.760 1.050 -13.872 1.00 10.00 O ATOM 273 NE2 GLN A 17 4.714 -0.733 -13.024 1.00 10.00 N ATOM 0 H GLN A 17 5.937 0.588 -9.395 1.00 10.00 H new ATOM 0 HA GLN A 17 5.652 3.292 -10.055 1.00 10.00 H new ATOM 0 HB2 GLN A 17 3.889 0.802 -10.407 1.00 10.00 H new ATOM 0 HB3 GLN A 17 3.469 2.342 -11.132 1.00 10.00 H new ATOM 0 HG2 GLN A 17 5.561 2.352 -12.442 1.00 10.00 H new ATOM 0 HG3 GLN A 17 6.115 0.898 -11.636 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.337 -1.146 -12.331 1.00 10.00 H new ATOM 0 HE22 GLN A 17 4.248 -1.327 -13.710 1.00 10.00 H new ATOM 282 N MET A 18 3.737 2.451 -7.574 1.00 10.00 N ATOM 283 CA MET A 18 2.715 2.891 -6.611 1.00 10.00 C ATOM 284 C MET A 18 3.282 3.736 -5.461 1.00 10.00 C ATOM 285 O MET A 18 2.700 4.753 -5.095 1.00 10.00 O ATOM 286 CB MET A 18 1.937 1.663 -6.123 1.00 10.00 C ATOM 287 CG MET A 18 2.777 0.643 -5.336 1.00 10.00 C ATOM 288 SD MET A 18 1.895 -0.857 -4.826 1.00 10.00 S ATOM 289 CE MET A 18 2.930 -1.362 -3.424 1.00 10.00 C ATOM 0 H MET A 18 4.208 1.592 -7.291 1.00 10.00 H new ATOM 0 HA MET A 18 2.029 3.568 -7.120 1.00 10.00 H new ATOM 0 HB2 MET A 18 1.113 1.998 -5.493 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.496 1.163 -6.985 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.632 0.352 -5.947 1.00 10.00 H new ATOM 0 HG3 MET A 18 3.173 1.132 -4.446 1.00 10.00 H new ATOM 0 HE1 MET A 18 2.676 -2.381 -3.133 1.00 10.00 H new ATOM 0 HE2 MET A 18 3.980 -1.317 -3.712 1.00 10.00 H new ATOM 0 HE3 MET A 18 2.756 -0.691 -2.583 1.00 10.00 H new ATOM 299 N ARG A 19 4.466 3.398 -4.941 1.00 10.00 N ATOM 300 CA ARG A 19 5.177 4.176 -3.908 1.00 10.00 C ATOM 301 C ARG A 19 5.604 5.555 -4.405 1.00 10.00 C ATOM 302 O ARG A 19 5.544 6.528 -3.657 1.00 10.00 O ATOM 303 CB ARG A 19 6.402 3.370 -3.456 1.00 10.00 C ATOM 304 CG ARG A 19 5.963 2.020 -2.877 1.00 10.00 C ATOM 305 CD ARG A 19 7.162 1.240 -2.327 1.00 10.00 C ATOM 306 NE ARG A 19 7.928 0.610 -3.414 1.00 10.00 N ATOM 307 CZ ARG A 19 9.147 0.110 -3.345 1.00 10.00 C ATOM 308 NH1 ARG A 19 9.885 0.171 -2.276 1.00 10.00 N ATOM 309 NH2 ARG A 19 9.674 -0.490 -4.369 1.00 10.00 N ATOM 0 H ARG A 19 4.972 2.560 -5.229 1.00 10.00 H new ATOM 0 HA ARG A 19 4.496 4.346 -3.074 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.073 3.211 -4.300 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.960 3.932 -2.706 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.234 2.181 -2.082 1.00 10.00 H new ATOM 0 HG3 ARG A 19 5.467 1.433 -3.650 1.00 10.00 H new ATOM 0 HD2 ARG A 19 7.810 1.912 -1.764 1.00 10.00 H new ATOM 0 HD3 ARG A 19 6.815 0.475 -1.632 1.00 10.00 H new ATOM 0 HE ARG A 19 7.465 0.554 -4.321 1.00 10.00 H new ATOM 0 HH11 ARG A 19 9.527 0.623 -1.434 1.00 10.00 H new ATOM 0 HH12 ARG A 19 10.822 -0.233 -2.279 1.00 10.00 H new ATOM 0 HH21 ARG A 19 9.145 -0.578 -5.237 1.00 10.00 H new ATOM 0 HH22 ARG A 19 10.617 -0.873 -4.306 1.00 10.00 H new ATOM 323 N GLN A 20 5.919 5.645 -5.698 1.00 10.00 N ATOM 324 CA GLN A 20 6.142 6.900 -6.433 1.00 10.00 C ATOM 325 C GLN A 20 4.976 7.888 -6.287 1.00 10.00 C ATOM 326 O GLN A 20 5.183 9.100 -6.294 1.00 10.00 O ATOM 327 CB GLN A 20 6.317 6.591 -7.928 1.00 10.00 C ATOM 328 CG GLN A 20 7.708 6.032 -8.268 1.00 10.00 C ATOM 329 CD GLN A 20 7.818 5.467 -9.687 1.00 10.00 C ATOM 330 OE1 GLN A 20 6.978 5.667 -10.555 1.00 10.00 O ATOM 331 NE2 GLN A 20 8.870 4.733 -9.985 1.00 10.00 N ATOM 0 H GLN A 20 6.031 4.820 -6.287 1.00 10.00 H new ATOM 0 HA GLN A 20 7.035 7.360 -6.009 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.558 5.872 -8.236 1.00 10.00 H new ATOM 0 HB3 GLN A 20 6.147 7.501 -8.504 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.447 6.823 -8.144 1.00 10.00 H new ATOM 0 HG3 GLN A 20 7.958 5.247 -7.554 1.00 10.00 H new ATOM 0 HE21 GLN A 20 9.583 4.553 -9.278 1.00 10.00 H new ATOM 0 HE22 GLN A 20 8.972 4.345 -10.923 1.00 10.00 H new ATOM 340 N ILE A 21 3.751 7.373 -6.162 1.00 10.00 N ATOM 341 CA ILE A 21 2.522 8.158 -6.055 1.00 10.00 C ATOM 342 C ILE A 21 2.356 8.665 -4.616 1.00 10.00 C ATOM 343 O ILE A 21 2.078 9.842 -4.382 1.00 10.00 O ATOM 344 CB ILE A 21 1.297 7.306 -6.482 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.618 6.465 -7.738 1.00 10.00 C ATOM 346 CG2 ILE A 21 0.091 8.231 -6.704 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.465 5.637 -8.317 1.00 10.00 C ATOM 0 H ILE A 21 3.583 6.367 -6.132 1.00 10.00 H new ATOM 0 HA ILE A 21 2.587 9.016 -6.724 1.00 10.00 H new ATOM 0 HB ILE A 21 1.051 6.600 -5.689 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.980 7.137 -8.516 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.437 5.788 -7.496 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.772 7.637 -7.004 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.137 8.760 -5.779 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.325 8.953 -7.487 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.813 5.092 -9.194 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.112 4.930 -7.566 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.352 6.300 -8.603 1.00 10.00 H new ATOM 359 N ILE A 22 2.590 7.784 -3.638 1.00 10.00 N ATOM 360 CA ILE A 22 2.378 8.056 -2.205 1.00 10.00 C ATOM 361 C ILE A 22 3.427 9.032 -1.659 1.00 10.00 C ATOM 362 O ILE A 22 3.121 9.891 -0.835 1.00 10.00 O ATOM 363 CB ILE A 22 2.363 6.735 -1.400 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.359 5.694 -1.952 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.036 6.983 0.082 1.00 10.00 C ATOM 366 CD1 ILE A 22 -0.010 6.246 -2.360 1.00 10.00 C ATOM 0 H ILE A 22 2.939 6.843 -3.819 1.00 10.00 H new ATOM 0 HA ILE A 22 1.405 8.534 -2.091 1.00 10.00 H new ATOM 0 HB ILE A 22 3.370 6.330 -1.503 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.807 5.207 -2.818 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.209 4.924 -1.196 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.034 6.034 0.618 1.00 10.00 H new ATOM 0 HG22 ILE A 22 2.788 7.642 0.515 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.054 7.449 0.165 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.634 5.433 -2.732 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.490 6.705 -1.495 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.118 6.993 -3.143 1.00 10.00 H new ATOM 378 N GLN A 23 4.648 8.972 -2.191 1.00 10.00 N ATOM 379 CA GLN A 23 5.744 9.904 -1.905 1.00 10.00 C ATOM 380 C GLN A 23 5.545 11.323 -2.498 1.00 10.00 C ATOM 381 O GLN A 23 6.417 12.183 -2.352 1.00 10.00 O ATOM 382 CB GLN A 23 7.049 9.227 -2.353 1.00 10.00 C ATOM 383 CG GLN A 23 7.415 8.102 -1.360 1.00 10.00 C ATOM 384 CD GLN A 23 8.713 7.363 -1.678 1.00 10.00 C ATOM 385 OE1 GLN A 23 9.669 7.888 -2.237 1.00 10.00 O ATOM 386 NE2 GLN A 23 8.806 6.107 -1.300 1.00 10.00 N ATOM 0 H GLN A 23 4.913 8.247 -2.858 1.00 10.00 H new ATOM 0 HA GLN A 23 5.777 10.102 -0.834 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.932 8.817 -3.356 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.854 9.961 -2.400 1.00 10.00 H new ATOM 0 HG2 GLN A 23 7.493 8.530 -0.361 1.00 10.00 H new ATOM 0 HG3 GLN A 23 6.599 7.380 -1.335 1.00 10.00 H new ATOM 0 HE21 GLN A 23 8.019 5.655 -0.833 1.00 10.00 H new ATOM 0 HE22 GLN A 23 9.665 5.585 -1.473 1.00 10.00 H new ATOM 395 N GLN A 24 4.386 11.593 -3.117 1.00 10.00 N ATOM 396 CA GLN A 24 3.931 12.923 -3.573 1.00 10.00 C ATOM 397 C GLN A 24 2.539 13.268 -3.018 1.00 10.00 C ATOM 398 O GLN A 24 2.270 14.415 -2.657 1.00 10.00 O ATOM 399 CB GLN A 24 3.876 12.975 -5.110 1.00 10.00 C ATOM 400 CG GLN A 24 5.179 12.528 -5.771 1.00 10.00 C ATOM 401 CD GLN A 24 5.102 12.582 -7.296 1.00 10.00 C ATOM 402 OE1 GLN A 24 5.037 13.638 -7.913 1.00 10.00 O ATOM 403 NE2 GLN A 24 5.105 11.447 -7.963 1.00 10.00 N ATOM 0 H GLN A 24 3.707 10.860 -3.324 1.00 10.00 H new ATOM 0 HA GLN A 24 4.650 13.652 -3.199 1.00 10.00 H new ATOM 0 HB2 GLN A 24 3.062 12.341 -5.460 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.646 13.993 -5.425 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.995 13.164 -5.428 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.413 11.511 -5.457 1.00 10.00 H new ATOM 0 HE21 GLN A 24 5.159 10.561 -7.461 1.00 10.00 H new ATOM 0 HE22 GLN A 24 5.054 11.454 -8.982 1.00 10.00 H new ATOM 412 N ASN A 25 1.677 12.255 -2.898 1.00 10.00 N ATOM 413 CA ASN A 25 0.333 12.322 -2.318 1.00 10.00 C ATOM 414 C ASN A 25 0.122 11.219 -1.255 1.00 10.00 C ATOM 415 O ASN A 25 -0.490 10.184 -1.543 1.00 10.00 O ATOM 416 CB ASN A 25 -0.728 12.300 -3.438 1.00 10.00 C ATOM 417 CG ASN A 25 -1.102 13.699 -3.885 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.737 14.166 -4.956 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.845 14.413 -3.066 1.00 10.00 N ATOM 0 H ASN A 25 1.910 11.316 -3.220 1.00 10.00 H new ATOM 0 HA ASN A 25 0.219 13.267 -1.787 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.347 11.736 -4.289 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.619 11.781 -3.085 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -2.120 15.361 -3.322 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -2.146 14.018 -2.175 1.00 10.00 H new ATOM 426 N PRO A 26 0.594 11.421 -0.007 1.00 10.00 N ATOM 427 CA PRO A 26 0.420 10.454 1.080 1.00 10.00 C ATOM 428 C PRO A 26 -1.052 10.255 1.482 1.00 10.00 C ATOM 429 O PRO A 26 -1.417 9.205 2.011 1.00 10.00 O ATOM 430 CB PRO A 26 1.274 10.981 2.235 1.00 10.00 C ATOM 431 CG PRO A 26 1.319 12.485 1.990 1.00 10.00 C ATOM 432 CD PRO A 26 1.337 12.582 0.470 1.00 10.00 C ATOM 0 HA PRO A 26 0.738 9.459 0.768 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.830 10.745 3.202 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.272 10.543 2.228 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.452 12.990 2.417 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.204 12.940 2.434 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.875 13.509 0.131 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.358 12.577 0.089 1.00 10.00 H new ATOM 440 N SER A 27 -1.921 11.219 1.153 1.00 10.00 N ATOM 441 CA SER A 27 -3.385 11.119 1.229 1.00 10.00 C ATOM 442 C SER A 27 -3.988 9.949 0.431 1.00 10.00 C ATOM 443 O SER A 27 -5.110 9.530 0.722 1.00 10.00 O ATOM 444 CB SER A 27 -4.006 12.440 0.757 1.00 10.00 C ATOM 445 OG SER A 27 -3.499 12.823 -0.519 1.00 10.00 O ATOM 0 H SER A 27 -1.610 12.129 0.812 1.00 10.00 H new ATOM 0 HA SER A 27 -3.623 10.918 2.274 1.00 10.00 H new ATOM 0 HB2 SER A 27 -5.090 12.337 0.704 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.796 13.224 1.485 1.00 10.00 H new ATOM 0 HG SER A 27 -3.913 13.667 -0.796 1.00 10.00 H new ATOM 451 N LEU A 28 -3.250 9.383 -0.536 1.00 10.00 N ATOM 452 CA LEU A 28 -3.675 8.236 -1.346 1.00 10.00 C ATOM 453 C LEU A 28 -3.104 6.889 -0.869 1.00 10.00 C ATOM 454 O LEU A 28 -3.364 5.871 -1.507 1.00 10.00 O ATOM 455 CB LEU A 28 -3.339 8.490 -2.829 1.00 10.00 C ATOM 456 CG LEU A 28 -4.017 9.722 -3.459 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.729 9.714 -4.959 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.536 9.750 -3.278 1.00 10.00 C ATOM 0 H LEU A 28 -2.319 9.720 -0.781 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.755 8.148 -1.223 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.259 8.602 -2.925 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.621 7.608 -3.404 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.611 10.598 -2.952 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.201 10.579 -5.425 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.652 9.756 -5.123 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.128 8.801 -5.401 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -5.942 10.646 -3.748 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -5.974 8.867 -3.743 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.776 9.757 -2.215 1.00 10.00 H new ATOM 470 N LEU A 29 -2.375 6.831 0.253 1.00 10.00 N ATOM 471 CA LEU A 29 -1.994 5.557 0.885 1.00 10.00 C ATOM 472 C LEU A 29 -3.215 4.643 1.156 1.00 10.00 C ATOM 473 O LEU A 29 -3.207 3.504 0.681 1.00 10.00 O ATOM 474 CB LEU A 29 -1.139 5.841 2.135 1.00 10.00 C ATOM 475 CG LEU A 29 -0.666 4.590 2.902 1.00 10.00 C ATOM 476 CD1 LEU A 29 0.110 3.616 2.016 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.235 5.008 4.064 1.00 10.00 C ATOM 0 H LEU A 29 -2.034 7.656 0.746 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.380 4.984 0.190 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.263 6.416 1.834 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.715 6.469 2.815 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.561 4.083 3.261 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.419 2.754 2.607 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.526 3.284 1.195 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.992 4.114 1.613 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.567 4.121 4.604 1.00 10.00 H new ATOM 0 HD22 LEU A 29 1.102 5.544 3.678 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.321 5.657 4.740 1.00 10.00 H new ATOM 489 N PRO A 30 -4.300 5.124 1.805 1.00 10.00 N ATOM 490 CA PRO A 30 -5.571 4.396 1.903 1.00 10.00 C ATOM 491 C PRO A 30 -6.086 3.877 0.563 1.00 10.00 C ATOM 492 O PRO A 30 -6.450 2.712 0.418 1.00 10.00 O ATOM 493 CB PRO A 30 -6.581 5.397 2.477 1.00 10.00 C ATOM 494 CG PRO A 30 -5.763 6.491 3.144 1.00 10.00 C ATOM 495 CD PRO A 30 -4.350 6.356 2.582 1.00 10.00 C ATOM 0 HA PRO A 30 -5.429 3.513 2.526 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.212 5.808 1.689 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.243 4.913 3.195 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.177 7.476 2.928 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.765 6.375 4.228 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.103 7.214 1.956 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.618 6.330 3.389 1.00 10.00 H new ATOM 503 N ALA A 31 -6.078 4.761 -0.430 1.00 10.00 N ATOM 504 CA ALA A 31 -6.532 4.503 -1.787 1.00 10.00 C ATOM 505 C ALA A 31 -5.645 3.502 -2.561 1.00 10.00 C ATOM 506 O ALA A 31 -6.087 2.974 -3.584 1.00 10.00 O ATOM 507 CB ALA A 31 -6.646 5.865 -2.481 1.00 10.00 C ATOM 0 H ALA A 31 -5.741 5.715 -0.303 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.501 4.004 -1.763 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.985 5.723 -3.507 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.362 6.488 -1.945 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.672 6.354 -2.485 1.00 10.00 H new ATOM 513 N LEU A 32 -4.437 3.184 -2.071 1.00 10.00 N ATOM 514 CA LEU A 32 -3.551 2.181 -2.665 1.00 10.00 C ATOM 515 C LEU A 32 -3.714 0.839 -1.955 1.00 10.00 C ATOM 516 O LEU A 32 -3.821 -0.191 -2.612 1.00 10.00 O ATOM 517 CB LEU A 32 -2.107 2.687 -2.563 1.00 10.00 C ATOM 518 CG LEU A 32 -1.027 1.696 -3.027 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.270 1.230 -4.463 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.345 2.364 -2.903 1.00 10.00 C ATOM 0 H LEU A 32 -4.046 3.625 -1.239 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.808 2.029 -3.713 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.017 3.599 -3.153 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.907 2.957 -1.526 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.067 0.811 -2.392 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.487 0.531 -4.756 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.240 0.736 -4.526 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.257 2.091 -5.132 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.119 1.669 -3.230 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.372 3.257 -3.527 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.522 2.642 -1.864 1.00 10.00 H new ATOM 532 N LEU A 33 -3.829 0.850 -0.628 1.00 10.00 N ATOM 533 CA LEU A 33 -4.215 -0.321 0.161 1.00 10.00 C ATOM 534 C LEU A 33 -5.564 -0.876 -0.325 1.00 10.00 C ATOM 535 O LEU A 33 -5.695 -2.074 -0.572 1.00 10.00 O ATOM 536 CB LEU A 33 -4.252 0.089 1.641 1.00 10.00 C ATOM 537 CG LEU A 33 -2.864 0.466 2.197 1.00 10.00 C ATOM 538 CD1 LEU A 33 -3.026 1.446 3.354 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.103 -0.768 2.680 1.00 10.00 C ATOM 0 H LEU A 33 -3.655 1.681 -0.063 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.489 -1.125 0.038 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -4.928 0.936 1.761 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -4.662 -0.732 2.229 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.291 0.927 1.392 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -2.044 1.712 3.746 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.531 2.345 3.001 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.619 0.983 4.143 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.129 -0.467 3.066 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -2.670 -1.259 3.471 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -1.966 -1.460 1.849 1.00 10.00 H new ATOM 551 N GLN A 34 -6.538 0.001 -0.595 1.00 10.00 N ATOM 552 CA GLN A 34 -7.787 -0.377 -1.257 1.00 10.00 C ATOM 553 C GLN A 34 -7.587 -1.001 -2.646 1.00 10.00 C ATOM 554 O GLN A 34 -8.340 -1.912 -2.999 1.00 10.00 O ATOM 555 CB GLN A 34 -8.721 0.841 -1.370 1.00 10.00 C ATOM 556 CG GLN A 34 -9.524 1.095 -0.082 1.00 10.00 C ATOM 557 CD GLN A 34 -10.866 1.758 -0.385 1.00 10.00 C ATOM 558 OE1 GLN A 34 -11.727 1.178 -1.040 1.00 10.00 O ATOM 559 NE2 GLN A 34 -11.105 2.972 0.062 1.00 10.00 N ATOM 0 H GLN A 34 -6.480 0.992 -0.360 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.237 -1.146 -0.629 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.130 1.726 -1.605 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -9.411 0.689 -2.200 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -9.691 0.151 0.437 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -8.946 1.730 0.590 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -10.397 3.463 0.607 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -11.999 3.422 -0.137 1.00 10.00 H new ATOM 568 N GLN A 35 -6.597 -0.560 -3.432 1.00 10.00 N ATOM 569 CA GLN A 35 -6.369 -1.062 -4.785 1.00 10.00 C ATOM 570 C GLN A 35 -5.658 -2.423 -4.774 1.00 10.00 C ATOM 571 O GLN A 35 -6.010 -3.308 -5.555 1.00 10.00 O ATOM 572 CB GLN A 35 -5.579 0.003 -5.558 1.00 10.00 C ATOM 573 CG GLN A 35 -5.404 -0.333 -7.040 1.00 10.00 C ATOM 574 CD GLN A 35 -6.725 -0.432 -7.810 1.00 10.00 C ATOM 575 OE1 GLN A 35 -7.655 0.343 -7.625 1.00 10.00 O ATOM 576 NE2 GLN A 35 -6.872 -1.388 -8.700 1.00 10.00 N ATOM 0 H GLN A 35 -5.932 0.157 -3.143 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.322 -1.237 -5.283 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -6.090 0.962 -5.467 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -4.597 0.121 -5.100 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.779 0.430 -7.505 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -4.871 -1.279 -7.128 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -6.112 -2.046 -8.872 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -7.746 -1.472 -9.219 1.00 10.00 H new ATOM 585 N ILE A 36 -4.740 -2.633 -3.826 1.00 10.00 N ATOM 586 CA ILE A 36 -4.215 -3.960 -3.481 1.00 10.00 C ATOM 587 C ILE A 36 -5.389 -4.874 -3.086 1.00 10.00 C ATOM 588 O ILE A 36 -5.473 -5.988 -3.584 1.00 10.00 O ATOM 589 CB ILE A 36 -3.129 -3.861 -2.389 1.00 10.00 C ATOM 590 CG1 ILE A 36 -1.941 -2.995 -2.880 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.599 -5.258 -1.991 1.00 10.00 C ATOM 592 CD1 ILE A 36 -0.990 -2.585 -1.754 1.00 10.00 C ATOM 0 H ILE A 36 -4.335 -1.880 -3.270 1.00 10.00 H new ATOM 0 HA ILE A 36 -3.721 -4.404 -4.346 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.590 -3.396 -1.517 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.383 -3.549 -3.635 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.329 -2.099 -3.364 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -1.836 -5.152 -1.220 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.420 -5.863 -1.607 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.167 -5.746 -2.865 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.180 -1.981 -2.163 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -1.536 -2.004 -1.010 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.575 -3.477 -1.285 1.00 10.00 H new ATOM 604 N GLY A 37 -6.365 -4.397 -2.303 1.00 10.00 N ATOM 605 CA GLY A 37 -7.595 -5.140 -1.997 1.00 10.00 C ATOM 606 C GLY A 37 -8.464 -5.517 -3.211 1.00 10.00 C ATOM 607 O GLY A 37 -9.082 -6.583 -3.195 1.00 10.00 O ATOM 0 H GLY A 37 -6.323 -3.479 -1.861 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.324 -6.054 -1.469 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.198 -4.543 -1.313 1.00 10.00 H new ATOM 611 N ARG A 38 -8.502 -4.697 -4.275 1.00 10.00 N ATOM 612 CA ARG A 38 -9.247 -5.005 -5.518 1.00 10.00 C ATOM 613 C ARG A 38 -8.637 -6.145 -6.346 1.00 10.00 C ATOM 614 O ARG A 38 -9.378 -6.879 -6.999 1.00 10.00 O ATOM 615 CB ARG A 38 -9.402 -3.762 -6.415 1.00 10.00 C ATOM 616 CG ARG A 38 -10.182 -2.579 -5.816 1.00 10.00 C ATOM 617 CD ARG A 38 -11.469 -2.969 -5.073 1.00 10.00 C ATOM 618 NE ARG A 38 -12.266 -1.784 -4.696 1.00 10.00 N ATOM 619 CZ ARG A 38 -12.149 -1.050 -3.602 1.00 10.00 C ATOM 620 NH1 ARG A 38 -11.227 -1.248 -2.707 1.00 10.00 N ATOM 621 NH2 ARG A 38 -12.964 -0.066 -3.362 1.00 10.00 N ATOM 0 H ARG A 38 -8.018 -3.800 -4.302 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.226 -5.338 -5.172 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.407 -3.412 -6.688 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -9.897 -4.066 -7.337 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.529 -2.043 -5.127 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.437 -1.886 -6.618 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -12.069 -3.624 -5.705 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -11.214 -3.535 -4.177 1.00 10.00 H new ATOM 0 HE ARG A 38 -12.990 -1.499 -5.355 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -10.549 -2.000 -2.831 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -11.182 -0.652 -1.881 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -13.710 0.151 -4.023 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -12.858 0.489 -2.513 1.00 10.00 H new ATOM 635 N GLU A 39 -7.312 -6.305 -6.328 1.00 10.00 N ATOM 636 CA GLU A 39 -6.566 -7.165 -7.256 1.00 10.00 C ATOM 637 C GLU A 39 -5.802 -8.315 -6.569 1.00 10.00 C ATOM 638 O GLU A 39 -5.575 -9.368 -7.169 1.00 10.00 O ATOM 639 CB GLU A 39 -5.575 -6.253 -7.989 1.00 10.00 C ATOM 640 CG GLU A 39 -6.252 -5.337 -9.014 1.00 10.00 C ATOM 641 CD GLU A 39 -5.210 -4.493 -9.771 1.00 10.00 C ATOM 642 OE1 GLU A 39 -4.652 -4.975 -10.788 1.00 10.00 O ATOM 643 OE2 GLU A 39 -4.957 -3.332 -9.365 1.00 10.00 O ATOM 0 H GLU A 39 -6.712 -5.830 -5.653 1.00 10.00 H new ATOM 0 HA GLU A 39 -7.275 -7.651 -7.926 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -5.043 -5.642 -7.259 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -4.830 -6.867 -8.495 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -6.823 -5.937 -9.722 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -6.960 -4.680 -8.509 1.00 10.00 H new ATOM 650 N ASN A 40 -5.441 -8.129 -5.299 1.00 10.00 N ATOM 651 CA ASN A 40 -4.646 -9.015 -4.450 1.00 10.00 C ATOM 652 C ASN A 40 -5.140 -8.948 -2.981 1.00 10.00 C ATOM 653 O ASN A 40 -4.370 -8.564 -2.094 1.00 10.00 O ATOM 654 CB ASN A 40 -3.160 -8.606 -4.520 1.00 10.00 C ATOM 655 CG ASN A 40 -2.432 -8.890 -5.815 1.00 10.00 C ATOM 656 OD1 ASN A 40 -2.566 -8.206 -6.819 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.556 -9.869 -5.788 1.00 10.00 N ATOM 0 H ASN A 40 -5.720 -7.286 -4.797 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.759 -10.038 -4.809 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -3.093 -7.536 -4.321 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.630 -9.114 -3.714 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -0.982 -10.063 -6.609 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.450 -10.435 -4.946 1.00 10.00 H new ATOM 664 N PRO A 41 -6.398 -9.313 -2.664 1.00 10.00 N ATOM 665 CA PRO A 41 -6.911 -9.259 -1.290 1.00 10.00 C ATOM 666 C PRO A 41 -6.078 -10.085 -0.291 1.00 10.00 C ATOM 667 O PRO A 41 -6.011 -9.747 0.889 1.00 10.00 O ATOM 668 CB PRO A 41 -8.371 -9.712 -1.380 1.00 10.00 C ATOM 669 CG PRO A 41 -8.404 -10.568 -2.641 1.00 10.00 C ATOM 670 CD PRO A 41 -7.409 -9.859 -3.555 1.00 10.00 C ATOM 0 HA PRO A 41 -6.837 -8.249 -0.887 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.669 -10.283 -0.500 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.050 -8.863 -1.454 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -8.106 -11.597 -2.440 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.401 -10.605 -3.079 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -6.969 -10.552 -4.272 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -7.895 -9.071 -4.130 1.00 10.00 H new ATOM 678 N GLN A 42 -5.371 -11.114 -0.767 1.00 10.00 N ATOM 679 CA GLN A 42 -4.430 -11.924 0.019 1.00 10.00 C ATOM 680 C GLN A 42 -3.160 -11.153 0.403 1.00 10.00 C ATOM 681 O GLN A 42 -2.715 -11.229 1.549 1.00 10.00 O ATOM 682 CB GLN A 42 -4.038 -13.169 -0.789 1.00 10.00 C ATOM 683 CG GLN A 42 -5.274 -13.946 -1.258 1.00 10.00 C ATOM 684 CD GLN A 42 -4.924 -15.290 -1.899 1.00 10.00 C ATOM 685 OE1 GLN A 42 -4.010 -15.416 -2.705 1.00 10.00 O ATOM 686 NE2 GLN A 42 -5.631 -16.354 -1.572 1.00 10.00 N ATOM 0 H GLN A 42 -5.438 -11.417 -1.739 1.00 10.00 H new ATOM 0 HA GLN A 42 -4.935 -12.201 0.944 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.444 -12.871 -1.653 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -3.409 -13.817 -0.179 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -5.935 -14.116 -0.408 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -5.827 -13.340 -1.975 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -6.396 -16.272 -0.903 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -5.412 -17.259 -1.988 1.00 10.00 H new ATOM 695 N LEU A 43 -2.572 -10.391 -0.528 1.00 10.00 N ATOM 696 CA LEU A 43 -1.473 -9.465 -0.226 1.00 10.00 C ATOM 697 C LEU A 43 -1.954 -8.309 0.651 1.00 10.00 C ATOM 698 O LEU A 43 -1.204 -7.823 1.491 1.00 10.00 O ATOM 699 CB LEU A 43 -0.875 -8.925 -1.540 1.00 10.00 C ATOM 700 CG LEU A 43 0.361 -8.023 -1.371 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.473 -8.654 -0.529 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.934 -7.664 -2.742 1.00 10.00 C ATOM 0 H LEU A 43 -2.844 -10.399 -1.511 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.705 -10.007 0.325 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.605 -9.770 -2.173 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.646 -8.364 -2.069 1.00 10.00 H new ATOM 0 HG LEU A 43 0.014 -7.136 -0.840 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.311 -7.960 -0.454 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.093 -8.874 0.469 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.808 -9.577 -1.002 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.808 -7.026 -2.615 1.00 10.00 H new ATOM 0 HD22 LEU A 43 1.223 -8.575 -3.266 1.00 10.00 H new ATOM 0 HD23 LEU A 43 0.180 -7.135 -3.324 1.00 10.00 H new ATOM 714 N LEU A 44 -3.211 -7.898 0.491 1.00 10.00 N ATOM 715 CA LEU A 44 -3.770 -6.789 1.277 1.00 10.00 C ATOM 716 C LEU A 44 -3.896 -7.165 2.754 1.00 10.00 C ATOM 717 O LEU A 44 -3.340 -6.507 3.630 1.00 10.00 O ATOM 718 CB LEU A 44 -5.133 -6.379 0.705 1.00 10.00 C ATOM 719 CG LEU A 44 -5.682 -5.016 1.173 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.741 -5.164 2.256 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.648 -3.988 1.642 1.00 10.00 C ATOM 0 H LEU A 44 -3.864 -8.313 -0.174 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.087 -5.942 1.210 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.058 -6.364 -0.382 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -5.860 -7.149 0.964 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.113 -4.618 0.255 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.098 -4.178 2.553 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.575 -5.751 1.871 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.310 -5.670 3.120 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.156 -3.073 1.945 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.092 -4.391 2.488 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -3.959 -3.767 0.827 1.00 10.00 H new ATOM 733 N GLN A 45 -4.575 -8.280 3.005 1.00 10.00 N ATOM 734 CA GLN A 45 -4.694 -8.894 4.335 1.00 10.00 C ATOM 735 C GLN A 45 -3.338 -9.248 4.983 1.00 10.00 C ATOM 736 O GLN A 45 -3.236 -9.278 6.209 1.00 10.00 O ATOM 737 CB GLN A 45 -5.607 -10.131 4.268 1.00 10.00 C ATOM 738 CG GLN A 45 -7.088 -9.784 4.030 1.00 10.00 C ATOM 739 CD GLN A 45 -7.719 -9.044 5.210 1.00 10.00 C ATOM 740 OE1 GLN A 45 -7.804 -7.824 5.245 1.00 10.00 O ATOM 741 NE2 GLN A 45 -8.185 -9.745 6.224 1.00 10.00 N ATOM 0 H GLN A 45 -5.070 -8.797 2.279 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.142 -8.140 4.983 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.262 -10.786 3.468 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.517 -10.691 5.199 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.173 -9.169 3.134 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.646 -10.701 3.842 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -8.123 -10.763 6.212 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.608 -9.270 7.021 1.00 10.00 H new ATOM 750 N GLN A 46 -2.283 -9.495 4.202 1.00 10.00 N ATOM 751 CA GLN A 46 -0.908 -9.620 4.704 1.00 10.00 C ATOM 752 C GLN A 46 -0.271 -8.263 5.040 1.00 10.00 C ATOM 753 O GLN A 46 0.292 -8.100 6.122 1.00 10.00 O ATOM 754 CB GLN A 46 -0.079 -10.346 3.637 1.00 10.00 C ATOM 755 CG GLN A 46 -0.308 -11.859 3.725 1.00 10.00 C ATOM 756 CD GLN A 46 0.415 -12.609 2.609 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.533 -13.089 2.754 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.202 -12.732 1.454 1.00 10.00 N ATOM 0 H GLN A 46 -2.358 -9.615 3.192 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.930 -10.184 5.637 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.355 -9.987 2.646 1.00 10.00 H new ATOM 0 HB3 GLN A 46 0.979 -10.123 3.774 1.00 10.00 H new ATOM 0 HG2 GLN A 46 0.039 -12.223 4.692 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.376 -12.068 3.671 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -1.133 -12.334 1.328 1.00 10.00 H new ATOM 0 HE22 GLN A 46 0.250 -13.225 0.684 1.00 10.00 H new ATOM 767 N ILE A 47 -0.383 -7.269 4.156 1.00 10.00 N ATOM 768 CA ILE A 47 0.105 -5.903 4.387 1.00 10.00 C ATOM 769 C ILE A 47 -0.556 -5.267 5.616 1.00 10.00 C ATOM 770 O ILE A 47 0.133 -4.608 6.389 1.00 10.00 O ATOM 771 CB ILE A 47 -0.052 -5.057 3.102 1.00 10.00 C ATOM 772 CG1 ILE A 47 1.078 -5.469 2.130 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.009 -3.544 3.386 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.920 -4.892 0.724 1.00 10.00 C ATOM 0 H ILE A 47 -0.822 -7.390 3.244 1.00 10.00 H new ATOM 0 HA ILE A 47 1.170 -5.942 4.617 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.031 -5.249 2.662 1.00 10.00 H new ATOM 0 HG12 ILE A 47 2.034 -5.145 2.541 1.00 10.00 H new ATOM 0 HG13 ILE A 47 1.111 -6.557 2.065 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.123 -2.995 2.451 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -0.819 -3.278 4.065 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.946 -3.287 3.843 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.749 -5.224 0.099 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.020 -5.237 0.293 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.918 -3.803 0.776 1.00 10.00 H new ATOM 786 N SER A 48 -1.848 -5.496 5.861 1.00 10.00 N ATOM 787 CA SER A 48 -2.534 -4.968 7.054 1.00 10.00 C ATOM 788 C SER A 48 -2.064 -5.636 8.357 1.00 10.00 C ATOM 789 O SER A 48 -1.928 -4.966 9.383 1.00 10.00 O ATOM 790 CB SER A 48 -4.056 -5.074 6.910 1.00 10.00 C ATOM 791 OG SER A 48 -4.481 -6.424 6.858 1.00 10.00 O ATOM 0 H SER A 48 -2.448 -6.047 5.247 1.00 10.00 H new ATOM 0 HA SER A 48 -2.262 -3.915 7.123 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.537 -4.572 7.749 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.374 -4.557 6.005 1.00 10.00 H new ATOM 0 HG SER A 48 -5.456 -6.457 6.768 1.00 10.00 H new ATOM 797 N GLN A 49 -1.730 -6.931 8.310 1.00 10.00 N ATOM 798 CA GLN A 49 -1.112 -7.688 9.411 1.00 10.00 C ATOM 799 C GLN A 49 0.353 -7.294 9.707 1.00 10.00 C ATOM 800 O GLN A 49 0.864 -7.620 10.780 1.00 10.00 O ATOM 801 CB GLN A 49 -1.216 -9.194 9.097 1.00 10.00 C ATOM 802 CG GLN A 49 -2.606 -9.738 9.461 1.00 10.00 C ATOM 803 CD GLN A 49 -2.732 -11.224 9.134 1.00 10.00 C ATOM 804 OE1 GLN A 49 -2.542 -12.097 9.972 1.00 10.00 O ATOM 805 NE2 GLN A 49 -3.055 -11.568 7.907 1.00 10.00 N ATOM 0 H GLN A 49 -1.886 -7.501 7.479 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.662 -7.440 10.319 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.022 -9.362 8.038 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -0.452 -9.738 9.652 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.791 -9.582 10.524 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.369 -9.180 8.919 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.215 -10.849 7.201 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -3.145 -12.554 7.661 1.00 10.00 H new ATOM 814 N HIS A 50 1.019 -6.573 8.797 1.00 10.00 N ATOM 815 CA HIS A 50 2.451 -6.235 8.861 1.00 10.00 C ATOM 816 C HIS A 50 2.732 -4.749 8.537 1.00 10.00 C ATOM 817 O HIS A 50 3.840 -4.392 8.127 1.00 10.00 O ATOM 818 CB HIS A 50 3.219 -7.184 7.918 1.00 10.00 C ATOM 819 CG HIS A 50 3.047 -8.659 8.208 1.00 10.00 C ATOM 820 ND1 HIS A 50 3.171 -9.283 9.431 1.00 10.00 N ATOM 821 CD2 HIS A 50 2.748 -9.634 7.293 1.00 10.00 C ATOM 822 CE1 HIS A 50 2.940 -10.594 9.261 1.00 10.00 C ATOM 823 NE2 HIS A 50 2.680 -10.862 7.968 1.00 10.00 N ATOM 0 H HIS A 50 0.563 -6.195 7.967 1.00 10.00 H new ATOM 0 HA HIS A 50 2.798 -6.373 9.885 1.00 10.00 H new ATOM 0 HB2 HIS A 50 2.898 -6.991 6.894 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.280 -6.941 7.970 1.00 10.00 H new ATOM 0 HD2 HIS A 50 2.592 -9.483 6.235 1.00 10.00 H new ATOM 0 HE1 HIS A 50 2.960 -11.330 10.051 1.00 10.00 H new ATOM 0 HE2 HIS A 50 2.475 -11.774 7.561 1.00 10.00 H new ATOM 831 N GLN A 51 1.732 -3.873 8.690 1.00 10.00 N ATOM 832 CA GLN A 51 1.713 -2.520 8.118 1.00 10.00 C ATOM 833 C GLN A 51 2.870 -1.615 8.571 1.00 10.00 C ATOM 834 O GLN A 51 3.355 -0.794 7.792 1.00 10.00 O ATOM 835 CB GLN A 51 0.347 -1.884 8.427 1.00 10.00 C ATOM 836 CG GLN A 51 0.030 -0.737 7.459 1.00 10.00 C ATOM 837 CD GLN A 51 -1.349 -0.124 7.710 1.00 10.00 C ATOM 838 OE1 GLN A 51 -1.738 0.181 8.831 1.00 10.00 O ATOM 839 NE2 GLN A 51 -2.147 0.084 6.683 1.00 10.00 N ATOM 0 H GLN A 51 0.893 -4.090 9.228 1.00 10.00 H new ATOM 0 HA GLN A 51 1.862 -2.619 7.043 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.432 -2.643 8.361 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.342 -1.510 9.451 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.791 0.037 7.556 1.00 10.00 H new ATOM 0 HG3 GLN A 51 0.079 -1.106 6.435 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.842 -0.163 5.742 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.070 0.492 6.829 1.00 10.00 H new ATOM 848 N GLU A 52 3.366 -1.797 9.798 1.00 10.00 N ATOM 849 CA GLU A 52 4.531 -1.069 10.323 1.00 10.00 C ATOM 850 C GLU A 52 5.814 -1.319 9.509 1.00 10.00 C ATOM 851 O GLU A 52 6.642 -0.415 9.394 1.00 10.00 O ATOM 852 CB GLU A 52 4.759 -1.433 11.800 1.00 10.00 C ATOM 853 CG GLU A 52 3.600 -0.978 12.698 1.00 10.00 C ATOM 854 CD GLU A 52 3.894 -1.278 14.180 1.00 10.00 C ATOM 855 OE1 GLU A 52 3.562 -2.392 14.658 1.00 10.00 O ATOM 856 OE2 GLU A 52 4.450 -0.400 14.886 1.00 10.00 O ATOM 0 H GLU A 52 2.968 -2.460 10.464 1.00 10.00 H new ATOM 0 HA GLU A 52 4.306 -0.006 10.234 1.00 10.00 H new ATOM 0 HB2 GLU A 52 4.884 -2.512 11.891 1.00 10.00 H new ATOM 0 HB3 GLU A 52 5.685 -0.975 12.146 1.00 10.00 H new ATOM 0 HG2 GLU A 52 3.433 0.091 12.567 1.00 10.00 H new ATOM 0 HG3 GLU A 52 2.683 -1.484 12.397 1.00 10.00 H new ATOM 863 N HIS A 53 5.959 -2.505 8.901 1.00 10.00 N ATOM 864 CA HIS A 53 7.046 -2.858 7.975 1.00 10.00 C ATOM 865 C HIS A 53 6.735 -2.440 6.531 1.00 10.00 C ATOM 866 O HIS A 53 7.641 -2.008 5.815 1.00 10.00 O ATOM 867 CB HIS A 53 7.292 -4.375 8.021 1.00 10.00 C ATOM 868 CG HIS A 53 7.613 -4.907 9.395 1.00 10.00 C ATOM 869 ND1 HIS A 53 6.737 -5.541 10.248 1.00 10.00 N ATOM 870 CD2 HIS A 53 8.825 -4.854 10.028 1.00 10.00 C ATOM 871 CE1 HIS A 53 7.403 -5.863 11.370 1.00 10.00 C ATOM 872 NE2 HIS A 53 8.686 -5.464 11.283 1.00 10.00 N ATOM 0 H HIS A 53 5.301 -3.271 9.045 1.00 10.00 H new ATOM 0 HA HIS A 53 7.937 -2.317 8.295 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.407 -4.887 7.643 1.00 10.00 H new ATOM 0 HB3 HIS A 53 8.114 -4.619 7.348 1.00 10.00 H new ATOM 0 HD2 HIS A 53 9.730 -4.419 9.631 1.00 10.00 H new ATOM 0 HE1 HIS A 53 6.971 -6.370 12.220 1.00 10.00 H new ATOM 0 HE2 HIS A 53 9.412 -5.582 11.989 1.00 10.00 H new ATOM 880 N PHE A 54 5.467 -2.511 6.103 1.00 10.00 N ATOM 881 CA PHE A 54 5.059 -2.034 4.775 1.00 10.00 C ATOM 882 C PHE A 54 5.362 -0.546 4.610 1.00 10.00 C ATOM 883 O PHE A 54 5.980 -0.167 3.618 1.00 10.00 O ATOM 884 CB PHE A 54 3.566 -2.290 4.526 1.00 10.00 C ATOM 885 CG PHE A 54 3.095 -1.789 3.170 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.562 -2.398 1.990 1.00 10.00 C ATOM 887 CD2 PHE A 54 2.210 -0.694 3.084 1.00 10.00 C ATOM 888 CE1 PHE A 54 3.153 -1.918 0.733 1.00 10.00 C ATOM 889 CE2 PHE A 54 1.791 -0.222 1.826 1.00 10.00 C ATOM 890 CZ PHE A 54 2.264 -0.831 0.651 1.00 10.00 C ATOM 0 H PHE A 54 4.704 -2.896 6.660 1.00 10.00 H new ATOM 0 HA PHE A 54 5.635 -2.594 4.039 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.369 -3.359 4.600 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.984 -1.804 5.309 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.238 -3.238 2.050 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.853 -0.217 3.985 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.521 -2.384 -0.169 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.105 0.610 1.763 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.945 -0.465 -0.314 1.00 10.00 H new ATOM 900 N ILE A 55 5.004 0.287 5.597 1.00 10.00 N ATOM 901 CA ILE A 55 5.269 1.734 5.569 1.00 10.00 C ATOM 902 C ILE A 55 6.770 2.038 5.417 1.00 10.00 C ATOM 903 O ILE A 55 7.113 2.989 4.723 1.00 10.00 O ATOM 904 CB ILE A 55 4.597 2.464 6.743 1.00 10.00 C ATOM 905 CG1 ILE A 55 3.069 2.436 6.489 1.00 10.00 C ATOM 906 CG2 ILE A 55 5.104 3.913 6.917 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.236 2.953 7.659 1.00 10.00 C ATOM 0 H ILE A 55 4.521 -0.024 6.440 1.00 10.00 H new ATOM 0 HA ILE A 55 4.800 2.141 4.673 1.00 10.00 H new ATOM 0 HB ILE A 55 4.849 1.956 7.674 1.00 10.00 H new ATOM 0 HG12 ILE A 55 2.847 3.035 5.606 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.767 1.413 6.265 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.594 4.378 7.761 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.178 3.903 7.103 1.00 10.00 H new ATOM 0 HG23 ILE A 55 4.898 4.482 6.010 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.178 2.901 7.403 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.427 2.340 8.540 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.508 3.987 7.870 1.00 10.00 H new ATOM 919 N GLN A 56 7.678 1.217 5.963 1.00 10.00 N ATOM 920 CA GLN A 56 9.120 1.394 5.728 1.00 10.00 C ATOM 921 C GLN A 56 9.471 1.254 4.235 1.00 10.00 C ATOM 922 O GLN A 56 10.106 2.133 3.656 1.00 10.00 O ATOM 923 CB GLN A 56 9.967 0.408 6.562 1.00 10.00 C ATOM 924 CG GLN A 56 9.660 0.360 8.064 1.00 10.00 C ATOM 925 CD GLN A 56 9.468 1.724 8.727 1.00 10.00 C ATOM 926 OE1 GLN A 56 10.288 2.628 8.624 1.00 10.00 O ATOM 927 NE2 GLN A 56 8.375 1.919 9.433 1.00 10.00 N ATOM 0 H GLN A 56 7.443 0.429 6.566 1.00 10.00 H new ATOM 0 HA GLN A 56 9.363 2.407 6.050 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.832 -0.593 6.152 1.00 10.00 H new ATOM 0 HB3 GLN A 56 11.018 0.666 6.434 1.00 10.00 H new ATOM 0 HG2 GLN A 56 8.757 -0.232 8.217 1.00 10.00 H new ATOM 0 HG3 GLN A 56 10.473 -0.162 8.569 1.00 10.00 H new ATOM 0 HE21 GLN A 56 7.687 1.172 9.524 1.00 10.00 H new ATOM 0 HE22 GLN A 56 8.216 2.817 9.889 1.00 10.00 H new ATOM 936 N MET A 57 9.004 0.185 3.586 1.00 10.00 N ATOM 937 CA MET A 57 9.266 -0.106 2.166 1.00 10.00 C ATOM 938 C MET A 57 8.581 0.903 1.229 1.00 10.00 C ATOM 939 O MET A 57 9.149 1.316 0.218 1.00 10.00 O ATOM 940 CB MET A 57 8.780 -1.532 1.855 1.00 10.00 C ATOM 941 CG MET A 57 9.540 -2.573 2.683 1.00 10.00 C ATOM 942 SD MET A 57 8.943 -4.268 2.482 1.00 10.00 S ATOM 943 CE MET A 57 9.761 -4.989 3.927 1.00 10.00 C ATOM 0 H MET A 57 8.421 -0.519 4.038 1.00 10.00 H new ATOM 0 HA MET A 57 10.339 -0.022 1.992 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.713 -1.608 2.063 1.00 10.00 H new ATOM 0 HB3 MET A 57 8.914 -1.741 0.794 1.00 10.00 H new ATOM 0 HG2 MET A 57 10.595 -2.537 2.410 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.474 -2.300 3.736 1.00 10.00 H new ATOM 0 HE1 MET A 57 9.333 -5.969 4.136 1.00 10.00 H new ATOM 0 HE2 MET A 57 10.827 -5.094 3.727 1.00 10.00 H new ATOM 0 HE3 MET A 57 9.616 -4.338 4.789 1.00 10.00 H new ATOM 953 N LEU A 58 7.369 1.317 1.593 1.00 10.00 N ATOM 954 CA LEU A 58 6.517 2.339 0.990 1.00 10.00 C ATOM 955 C LEU A 58 7.109 3.763 1.053 1.00 10.00 C ATOM 956 O LEU A 58 6.890 4.559 0.140 1.00 10.00 O ATOM 957 CB LEU A 58 5.208 2.156 1.760 1.00 10.00 C ATOM 958 CG LEU A 58 4.004 3.065 1.552 1.00 10.00 C ATOM 959 CD1 LEU A 58 4.089 4.315 2.436 1.00 10.00 C ATOM 960 CD2 LEU A 58 3.714 3.378 0.084 1.00 10.00 C ATOM 0 H LEU A 58 6.912 0.900 2.404 1.00 10.00 H new ATOM 0 HA LEU A 58 6.392 2.223 -0.087 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.869 1.139 1.562 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.459 2.208 2.819 1.00 10.00 H new ATOM 0 HG LEU A 58 3.131 2.502 1.881 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.215 4.943 2.264 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.121 4.018 3.484 1.00 10.00 H new ATOM 0 HD13 LEU A 58 4.992 4.874 2.189 1.00 10.00 H new ATOM 0 HD21 LEU A 58 2.843 4.030 0.016 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.576 3.877 -0.359 1.00 10.00 H new ATOM 0 HD23 LEU A 58 3.516 2.451 -0.453 1.00 10.00 H new ATOM 972 N ASN A 59 7.895 4.078 2.088 1.00 10.00 N ATOM 973 CA ASN A 59 8.382 5.434 2.380 1.00 10.00 C ATOM 974 C ASN A 59 9.900 5.614 2.136 1.00 10.00 C ATOM 975 O ASN A 59 10.376 6.744 2.017 1.00 10.00 O ATOM 976 CB ASN A 59 7.966 5.745 3.829 1.00 10.00 C ATOM 977 CG ASN A 59 8.016 7.206 4.238 1.00 10.00 C ATOM 978 OD1 ASN A 59 7.953 8.130 3.437 1.00 10.00 O ATOM 979 ND2 ASN A 59 8.068 7.453 5.528 1.00 10.00 N ATOM 0 H ASN A 59 8.218 3.384 2.762 1.00 10.00 H new ATOM 0 HA ASN A 59 7.934 6.148 1.689 1.00 10.00 H new ATOM 0 HB2 ASN A 59 6.950 5.381 3.980 1.00 10.00 H new ATOM 0 HB3 ASN A 59 8.611 5.178 4.501 1.00 10.00 H new ATOM 0 HD21 ASN A 59 8.056 8.416 5.864 1.00 10.00 H new ATOM 0 HD22 ASN A 59 8.120 6.682 6.193 1.00 10.00 H new ATOM 986 N GLU A 60 10.669 4.526 2.012 1.00 10.00 N ATOM 987 CA GLU A 60 12.060 4.559 1.525 1.00 10.00 C ATOM 988 C GLU A 60 12.159 5.096 0.075 1.00 10.00 C ATOM 989 O GLU A 60 11.266 4.819 -0.737 1.00 10.00 O ATOM 990 CB GLU A 60 12.689 3.159 1.603 1.00 10.00 C ATOM 991 CG GLU A 60 13.231 2.842 3.003 1.00 10.00 C ATOM 992 CD GLU A 60 14.565 3.563 3.285 1.00 10.00 C ATOM 993 OE1 GLU A 60 15.637 3.041 2.892 1.00 10.00 O ATOM 994 OE2 GLU A 60 14.555 4.654 3.906 1.00 10.00 O ATOM 0 H GLU A 60 10.344 3.588 2.248 1.00 10.00 H new ATOM 0 HA GLU A 60 12.609 5.243 2.172 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.944 2.413 1.326 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.499 3.086 0.877 1.00 10.00 H new ATOM 0 HG2 GLU A 60 12.495 3.136 3.751 1.00 10.00 H new ATOM 0 HG3 GLU A 60 13.373 1.766 3.101 1.00 10.00 H new ATOM 1001 N PRO A 61 13.227 5.839 -0.285 1.00 10.00 N ATOM 1002 CA PRO A 61 13.398 6.435 -1.611 1.00 10.00 C ATOM 1003 C PRO A 61 13.235 5.451 -2.783 1.00 10.00 C ATOM 1004 O PRO A 61 13.884 4.403 -2.837 1.00 10.00 O ATOM 1005 CB PRO A 61 14.793 7.064 -1.605 1.00 10.00 C ATOM 1006 CG PRO A 61 15.106 7.325 -0.142 1.00 10.00 C ATOM 1007 CD PRO A 61 14.315 6.250 0.590 1.00 10.00 C ATOM 0 HA PRO A 61 12.607 7.165 -1.781 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.528 6.395 -2.052 1.00 10.00 H new ATOM 0 HB3 PRO A 61 14.811 7.988 -2.182 1.00 10.00 H new ATOM 0 HG2 PRO A 61 16.174 7.245 0.060 1.00 10.00 H new ATOM 0 HG3 PRO A 61 14.799 8.326 0.162 1.00 10.00 H new ATOM 0 HD2 PRO A 61 14.954 5.401 0.832 1.00 10.00 H new ATOM 0 HD3 PRO A 61 13.925 6.635 1.532 1.00 10.00 H new ATOM 1015 N VAL A 62 12.407 5.827 -3.763 1.00 10.00 N ATOM 1016 CA VAL A 62 12.199 5.115 -5.037 1.00 10.00 C ATOM 1017 C VAL A 62 13.352 5.283 -6.049 1.00 10.00 C ATOM 1018 O VAL A 62 13.350 4.641 -7.101 1.00 10.00 O ATOM 1019 CB VAL A 62 10.866 5.563 -5.668 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.676 5.061 -4.841 1.00 10.00 C ATOM 1021 CG2 VAL A 62 10.753 7.086 -5.844 1.00 10.00 C ATOM 0 H VAL A 62 11.838 6.670 -3.691 1.00 10.00 H new ATOM 0 HA VAL A 62 12.171 4.053 -4.795 1.00 10.00 H new ATOM 0 HB VAL A 62 10.848 5.118 -6.663 1.00 10.00 H new ATOM 0 HG11 VAL A 62 8.746 5.389 -5.305 1.00 10.00 H new ATOM 0 HG12 VAL A 62 9.696 3.972 -4.799 1.00 10.00 H new ATOM 0 HG13 VAL A 62 9.739 5.465 -3.830 1.00 10.00 H new ATOM 0 HG21 VAL A 62 9.790 7.330 -6.293 1.00 10.00 H new ATOM 0 HG22 VAL A 62 10.833 7.572 -4.871 1.00 10.00 H new ATOM 0 HG23 VAL A 62 11.555 7.438 -6.492 1.00 10.00 H new ATOM 1031 N GLN A 63 14.339 6.130 -5.738 1.00 10.00 N ATOM 1032 CA GLN A 63 15.515 6.447 -6.557 1.00 10.00 C ATOM 1033 C GLN A 63 16.735 6.712 -5.652 1.00 10.00 C ATOM 1034 O GLN A 63 16.583 7.098 -4.491 1.00 10.00 O ATOM 1035 CB GLN A 63 15.160 7.672 -7.425 1.00 10.00 C ATOM 1036 CG GLN A 63 16.239 8.028 -8.459 1.00 10.00 C ATOM 1037 CD GLN A 63 15.801 9.106 -9.454 1.00 10.00 C ATOM 1038 OE1 GLN A 63 14.877 9.882 -9.237 1.00 10.00 O ATOM 1039 NE2 GLN A 63 16.451 9.203 -10.596 1.00 10.00 N ATOM 0 H GLN A 63 14.339 6.643 -4.856 1.00 10.00 H new ATOM 0 HA GLN A 63 15.782 5.612 -7.205 1.00 10.00 H new ATOM 0 HB2 GLN A 63 14.221 7.479 -7.944 1.00 10.00 H new ATOM 0 HB3 GLN A 63 14.994 8.531 -6.775 1.00 10.00 H new ATOM 0 HG2 GLN A 63 17.133 8.369 -7.937 1.00 10.00 H new ATOM 0 HG3 GLN A 63 16.515 7.128 -9.009 1.00 10.00 H new ATOM 0 HE21 GLN A 63 17.223 8.568 -10.799 1.00 10.00 H new ATOM 0 HE22 GLN A 63 16.182 9.913 -11.277 1.00 10.00 H new ATOM 1048 N GLU A 64 17.950 6.527 -6.177 1.00 10.00 N ATOM 1049 CA GLU A 64 19.221 6.705 -5.451 1.00 10.00 C ATOM 1050 C GLU A 64 20.304 7.398 -6.305 1.00 10.00 C ATOM 1051 O GLU A 64 20.136 7.569 -7.515 1.00 10.00 O ATOM 1052 CB GLU A 64 19.679 5.356 -4.856 1.00 10.00 C ATOM 1053 CG GLU A 64 19.865 4.184 -5.840 1.00 10.00 C ATOM 1054 CD GLU A 64 21.134 4.289 -6.710 1.00 10.00 C ATOM 1055 OE1 GLU A 64 22.258 4.326 -6.151 1.00 10.00 O ATOM 1056 OE2 GLU A 64 21.021 4.283 -7.961 1.00 10.00 O ATOM 0 H GLU A 64 18.085 6.241 -7.147 1.00 10.00 H new ATOM 0 HA GLU A 64 19.050 7.391 -4.621 1.00 10.00 H new ATOM 0 HB2 GLU A 64 20.625 5.518 -4.339 1.00 10.00 H new ATOM 0 HB3 GLU A 64 18.952 5.054 -4.103 1.00 10.00 H new ATOM 0 HG2 GLU A 64 19.900 3.252 -5.276 1.00 10.00 H new ATOM 0 HG3 GLU A 64 18.993 4.129 -6.492 1.00 10.00 H new ATOM 1063 N ALA A 65 21.393 7.834 -5.657 1.00 10.00 N ATOM 1064 CA ALA A 65 22.520 8.641 -6.168 1.00 10.00 C ATOM 1065 C ALA A 65 22.193 10.029 -6.777 1.00 10.00 C ATOM 1066 O ALA A 65 23.018 10.941 -6.675 1.00 10.00 O ATOM 1067 CB ALA A 65 23.382 7.784 -7.106 1.00 10.00 C ATOM 0 H ALA A 65 21.524 7.612 -4.670 1.00 10.00 H new ATOM 0 HA ALA A 65 23.079 8.925 -5.276 1.00 10.00 H new ATOM 0 HB1 ALA A 65 24.213 8.380 -7.482 1.00 10.00 H new ATOM 0 HB2 ALA A 65 23.770 6.925 -6.560 1.00 10.00 H new ATOM 0 HB3 ALA A 65 22.775 7.438 -7.943 1.00 10.00 H new ATOM 1073 N GLY A 66 21.001 10.238 -7.348 1.00 10.00 N ATOM 1074 CA GLY A 66 20.566 11.496 -7.976 1.00 10.00 C ATOM 1075 C GLY A 66 20.614 12.731 -7.064 1.00 10.00 C ATOM 1076 O GLY A 66 20.833 13.844 -7.543 1.00 10.00 O ATOM 0 H GLY A 66 20.286 9.512 -7.388 1.00 10.00 H new ATOM 0 HA2 GLY A 66 21.192 11.684 -8.849 1.00 10.00 H new ATOM 0 HA3 GLY A 66 19.545 11.370 -8.337 1.00 10.00 H new ATOM 1080 N GLY A 67 20.485 12.543 -5.744 1.00 10.00 N ATOM 1081 CA GLY A 67 20.619 13.602 -4.732 1.00 10.00 C ATOM 1082 C GLY A 67 21.948 14.373 -4.776 1.00 10.00 C ATOM 1083 O GLY A 67 21.984 15.545 -4.397 1.00 10.00 O ATOM 0 H GLY A 67 20.280 11.629 -5.340 1.00 10.00 H new ATOM 0 HA2 GLY A 67 19.800 14.310 -4.858 1.00 10.00 H new ATOM 0 HA3 GLY A 67 20.506 13.157 -3.744 1.00 10.00 H new ATOM 1087 N GLN A 68 23.023 13.766 -5.296 1.00 10.00 N ATOM 1088 CA GLN A 68 24.335 14.408 -5.491 1.00 10.00 C ATOM 1089 C GLN A 68 24.335 15.539 -6.547 1.00 10.00 C ATOM 1090 O GLN A 68 25.285 16.326 -6.598 1.00 10.00 O ATOM 1091 CB GLN A 68 25.383 13.342 -5.861 1.00 10.00 C ATOM 1092 CG GLN A 68 25.604 12.308 -4.740 1.00 10.00 C ATOM 1093 CD GLN A 68 26.689 11.275 -5.061 1.00 10.00 C ATOM 1094 OE1 GLN A 68 27.276 11.224 -6.136 1.00 10.00 O ATOM 1095 NE2 GLN A 68 27.008 10.402 -4.128 1.00 10.00 N ATOM 0 H GLN A 68 23.007 12.793 -5.601 1.00 10.00 H new ATOM 0 HA GLN A 68 24.587 14.884 -4.543 1.00 10.00 H new ATOM 0 HB2 GLN A 68 25.066 12.826 -6.767 1.00 10.00 H new ATOM 0 HB3 GLN A 68 26.329 13.833 -6.088 1.00 10.00 H new ATOM 0 HG2 GLN A 68 25.873 12.832 -3.823 1.00 10.00 H new ATOM 0 HG3 GLN A 68 24.666 11.788 -4.547 1.00 10.00 H new ATOM 0 HE21 GLN A 68 26.534 10.424 -3.225 1.00 10.00 H new ATOM 0 HE22 GLN A 68 27.729 9.704 -4.308 1.00 10.00 H new ATOM 1104 N GLY A 69 23.286 15.648 -7.371 1.00 10.00 N ATOM 1105 CA GLY A 69 23.132 16.673 -8.419 1.00 10.00 C ATOM 1106 C GLY A 69 21.683 17.125 -8.657 1.00 10.00 C ATOM 1107 O GLY A 69 21.367 17.648 -9.728 1.00 10.00 O ATOM 0 H GLY A 69 22.494 15.007 -7.328 1.00 10.00 H new ATOM 0 HA2 GLY A 69 23.732 17.543 -8.150 1.00 10.00 H new ATOM 0 HA3 GLY A 69 23.536 16.283 -9.353 1.00 10.00 H new ATOM 1111 N GLY A 70 20.796 16.910 -7.679 1.00 10.00 N ATOM 1112 CA GLY A 70 19.351 17.155 -7.787 1.00 10.00 C ATOM 1113 C GLY A 70 18.588 17.008 -6.462 1.00 10.00 C ATOM 1114 O GLY A 70 17.427 16.592 -6.459 1.00 10.00 O ATOM 0 H GLY A 70 21.070 16.551 -6.764 1.00 10.00 H new ATOM 0 HA2 GLY A 70 19.192 18.161 -8.175 1.00 10.00 H new ATOM 0 HA3 GLY A 70 18.930 16.462 -8.515 1.00 10.00 H new ATOM 1118 N GLY A 71 19.241 17.306 -5.334 1.00 10.00 N ATOM 1119 CA GLY A 71 18.692 17.159 -3.980 1.00 10.00 C ATOM 1120 C GLY A 71 19.595 17.754 -2.889 1.00 10.00 C ATOM 1121 O GLY A 71 20.570 18.457 -3.182 1.00 10.00 O ATOM 0 H GLY A 71 20.195 17.667 -5.337 1.00 10.00 H new ATOM 0 HA2 GLY A 71 17.716 17.642 -3.937 1.00 10.00 H new ATOM 0 HA3 GLY A 71 18.533 16.101 -3.773 1.00 10.00 H new ATOM 1125 N GLY A 72 19.258 17.483 -1.623 1.00 10.00 N ATOM 1126 CA GLY A 72 19.993 17.942 -0.432 1.00 10.00 C ATOM 1127 C GLY A 72 19.353 17.475 0.875 1.00 10.00 C ATOM 1128 O GLY A 72 18.647 18.288 1.514 1.00 10.00 O ATOM 1129 OXT GLY A 72 19.552 16.297 1.246 1.00 10.00 O ATOM 0 H GLY A 72 18.440 16.920 -1.388 1.00 10.00 H new ATOM 0 HA2 GLY A 72 21.019 17.576 -0.480 1.00 10.00 H new ATOM 0 HA3 GLY A 72 20.042 19.031 -0.438 1.00 10.00 H new TER 1133 GLY A 72