USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 106 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0302) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.4!) USER MOD Set 2.1: A 63 CYS SG : rot -67:sc= -2.31 USER MOD Set 2.2: A 64 GLN : amide:sc= -0.566 K(o=-2.9,f=-4.3) USER MOD Single : A 1 ALA N :NH3+ 150:sc= 0.00601 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0646 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.028) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.559 (180deg=-1.86!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -4.95! C(o=-5!,f=-5.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0019 X(o=-0.0019,f=-0.19) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0.114 (180deg=0.0973) USER MOD Single : A 56 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.46) USER MOD Single : A 58 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.1!) USER MOD Single : A 62 HIS : no HD1:sc= -9.56! C(o=-9.6!,f=-10!) USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= -0.233 (180deg=-1.4!) USER MOD Single : A 69 THR OG1 : rot -140:sc= -0.794 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.22) USER MOD Single : A 72 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00755) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.4) USER MOD Single : A 107 SER OG : rot 120:sc= -0.0864 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.851 -22.236 2.259 1.00 0.00 N ATOM 2 CA ALA A 1 2.465 -21.069 1.647 1.00 0.00 C ATOM 3 C ALA A 1 1.509 -20.484 0.605 1.00 0.00 C ATOM 4 O ALA A 1 0.964 -21.213 -0.221 1.00 0.00 O ATOM 5 CB ALA A 1 3.816 -21.459 1.046 1.00 0.00 C ATOM 0 H1 ALA A 1 2.592 -22.906 2.548 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.304 -21.943 3.093 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.218 -22.695 1.573 1.00 0.00 H new ATOM 0 HA ALA A 1 2.652 -20.297 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.276 -20.584 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.467 -21.841 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.669 -22.230 0.290 1.00 0.00 H new ATOM 11 N LEU A 2 1.336 -19.172 0.679 1.00 0.00 N ATOM 12 CA LEU A 2 0.456 -18.481 -0.248 1.00 0.00 C ATOM 13 C LEU A 2 0.876 -18.807 -1.683 1.00 0.00 C ATOM 14 O LEU A 2 0.598 -19.896 -2.181 1.00 0.00 O ATOM 15 CB LEU A 2 0.428 -16.981 0.059 1.00 0.00 C ATOM 16 CG LEU A 2 -0.519 -16.544 1.178 1.00 0.00 C ATOM 17 CD1 LEU A 2 -1.978 -16.800 0.794 1.00 0.00 C ATOM 18 CD2 LEU A 2 -0.149 -17.214 2.502 1.00 0.00 C ATOM 0 H LEU A 2 1.790 -18.570 1.366 1.00 0.00 H new ATOM 0 HA LEU A 2 -0.571 -18.828 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.438 -16.665 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.153 -16.449 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.407 -15.469 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.630 -16.480 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.221 -16.238 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.124 -17.864 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.838 -16.886 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.214 -18.297 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.869 -16.937 2.778 1.00 0.00 H new ATOM 29 N THR A 3 1.538 -17.844 -2.305 1.00 0.00 N ATOM 30 CA THR A 3 1.998 -18.015 -3.673 1.00 0.00 C ATOM 31 C THR A 3 3.423 -17.479 -3.827 1.00 0.00 C ATOM 32 O THR A 3 3.952 -17.422 -4.936 1.00 0.00 O ATOM 33 CB THR A 3 0.989 -17.333 -4.600 1.00 0.00 C ATOM 34 OG1 THR A 3 -0.069 -18.280 -4.716 1.00 0.00 O ATOM 35 CG2 THR A 3 1.515 -17.186 -6.029 1.00 0.00 C ATOM 0 H THR A 3 1.767 -16.942 -1.887 1.00 0.00 H new ATOM 0 HA THR A 3 2.049 -19.069 -3.944 1.00 0.00 H new ATOM 0 HB THR A 3 0.737 -16.350 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.769 -17.919 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.761 -16.696 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.424 -16.585 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.735 -18.172 -6.439 1.00 0.00 H new ATOM 43 N THR A 4 4.004 -17.100 -2.698 1.00 0.00 N ATOM 44 CA THR A 4 5.358 -16.572 -2.694 1.00 0.00 C ATOM 45 C THR A 4 5.758 -16.121 -4.100 1.00 0.00 C ATOM 46 O THR A 4 6.260 -16.917 -4.892 1.00 0.00 O ATOM 47 CB THR A 4 6.281 -17.644 -2.113 1.00 0.00 C ATOM 48 OG1 THR A 4 5.744 -18.869 -2.604 1.00 0.00 O ATOM 49 CG2 THR A 4 6.156 -17.765 -0.593 1.00 0.00 C ATOM 0 H THR A 4 3.562 -17.148 -1.780 1.00 0.00 H new ATOM 0 HA THR A 4 5.435 -15.683 -2.068 1.00 0.00 H new ATOM 0 HB THR A 4 7.314 -17.413 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.284 -19.618 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.833 -18.540 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.415 -16.813 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.131 -18.028 -0.332 1.00 0.00 H new ATOM 57 N ILE A 5 5.522 -14.845 -4.367 1.00 0.00 N ATOM 58 CA ILE A 5 5.852 -14.277 -5.663 1.00 0.00 C ATOM 59 C ILE A 5 7.171 -13.510 -5.558 1.00 0.00 C ATOM 60 O ILE A 5 7.495 -12.968 -4.503 1.00 0.00 O ATOM 61 CB ILE A 5 4.689 -13.434 -6.191 1.00 0.00 C ATOM 62 CG1 ILE A 5 4.954 -12.972 -7.625 1.00 0.00 C ATOM 63 CG2 ILE A 5 4.394 -12.261 -5.255 1.00 0.00 C ATOM 64 CD1 ILE A 5 3.727 -13.197 -8.510 1.00 0.00 C ATOM 0 H ILE A 5 5.106 -14.188 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 5 6.001 -15.067 -6.399 1.00 0.00 H new ATOM 0 HB ILE A 5 3.796 -14.059 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.219 -11.915 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.806 -13.515 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.564 -11.678 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.131 -12.641 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.277 -11.627 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.943 -12.860 -9.524 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.479 -14.258 -8.526 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.883 -12.633 -8.112 1.00 0.00 H new ATOM 75 N SER A 6 7.895 -13.487 -6.667 1.00 0.00 N ATOM 76 CA SER A 6 9.171 -12.794 -6.713 1.00 0.00 C ATOM 77 C SER A 6 8.966 -11.348 -7.171 1.00 0.00 C ATOM 78 O SER A 6 7.952 -11.027 -7.789 1.00 0.00 O ATOM 79 CB SER A 6 10.154 -13.509 -7.642 1.00 0.00 C ATOM 80 OG SER A 6 11.239 -14.092 -6.925 1.00 0.00 O ATOM 0 H SER A 6 7.622 -13.937 -7.541 1.00 0.00 H new ATOM 0 HA SER A 6 9.595 -12.794 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.628 -14.285 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.542 -12.800 -8.374 1.00 0.00 H new ATOM 0 HG SER A 6 11.843 -14.540 -7.553 1.00 0.00 H new ATOM 85 N PRO A 7 9.969 -10.492 -6.840 1.00 0.00 N ATOM 86 CA PRO A 7 9.908 -9.088 -7.209 1.00 0.00 C ATOM 87 C PRO A 7 10.194 -8.901 -8.701 1.00 0.00 C ATOM 88 O PRO A 7 11.321 -8.597 -9.087 1.00 0.00 O ATOM 89 CB PRO A 7 10.930 -8.402 -6.318 1.00 0.00 C ATOM 90 CG PRO A 7 11.851 -9.503 -5.815 1.00 0.00 C ATOM 91 CD PRO A 7 11.184 -10.837 -6.107 1.00 0.00 C ATOM 0 HA PRO A 7 8.918 -8.657 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.489 -7.649 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.443 -7.890 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.821 -9.445 -6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.031 -9.392 -4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.833 -11.483 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.952 -11.374 -5.187 1.00 0.00 H new ATOM 96 N HIS A 8 9.153 -9.093 -9.499 1.00 0.00 N ATOM 97 CA HIS A 8 9.278 -8.949 -10.939 1.00 0.00 C ATOM 98 C HIS A 8 7.954 -9.320 -11.609 1.00 0.00 C ATOM 99 O HIS A 8 7.472 -8.599 -12.482 1.00 0.00 O ATOM 100 CB HIS A 8 10.459 -9.766 -11.467 1.00 0.00 C ATOM 101 CG HIS A 8 10.291 -10.240 -12.890 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.712 -9.499 -13.981 1.00 0.00 N ATOM 103 CD2 HIS A 8 9.745 -11.385 -13.390 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.427 -10.177 -15.083 1.00 0.00 C ATOM 105 NE2 HIS A 8 9.827 -11.346 -14.715 1.00 0.00 N ATOM 0 H HIS A 8 8.220 -9.347 -9.175 1.00 0.00 H new ATOM 0 HA HIS A 8 9.492 -7.909 -11.186 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.364 -9.162 -11.401 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.606 -10.632 -10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.318 -12.188 -12.807 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.633 -9.860 -16.095 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.496 -12.070 -15.352 1.00 0.00 H new ATOM 112 N ASP A 9 7.403 -10.443 -11.175 1.00 0.00 N ATOM 113 CA ASP A 9 6.143 -10.919 -11.721 1.00 0.00 C ATOM 114 C ASP A 9 4.987 -10.175 -11.050 1.00 0.00 C ATOM 115 O ASP A 9 3.906 -10.055 -11.622 1.00 0.00 O ATOM 116 CB ASP A 9 5.959 -12.415 -11.459 1.00 0.00 C ATOM 117 CG ASP A 9 6.284 -13.325 -12.645 1.00 0.00 C ATOM 118 OD1 ASP A 9 7.447 -13.448 -13.056 1.00 0.00 O ATOM 119 OD2 ASP A 9 5.269 -13.931 -13.160 1.00 0.00 O ATOM 0 H ASP A 9 7.806 -11.038 -10.451 1.00 0.00 H new ATOM 0 HA ASP A 9 6.153 -10.740 -12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.590 -12.701 -10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.926 -12.591 -11.158 1.00 0.00 H new ATOM 124 N ALA A 10 5.255 -9.695 -9.844 1.00 0.00 N ATOM 125 CA ALA A 10 4.251 -8.966 -9.088 1.00 0.00 C ATOM 126 C ALA A 10 4.015 -7.604 -9.744 1.00 0.00 C ATOM 127 O ALA A 10 2.872 -7.171 -9.892 1.00 0.00 O ATOM 128 CB ALA A 10 4.700 -8.841 -7.631 1.00 0.00 C ATOM 0 H ALA A 10 6.153 -9.797 -9.372 1.00 0.00 H new ATOM 0 HA ALA A 10 3.303 -9.503 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.947 -8.294 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.826 -9.835 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.648 -8.304 -7.587 1.00 0.00 H new ATOM 134 N GLN A 11 5.114 -6.965 -10.120 1.00 0.00 N ATOM 135 CA GLN A 11 5.040 -5.661 -10.757 1.00 0.00 C ATOM 136 C GLN A 11 4.066 -5.700 -11.936 1.00 0.00 C ATOM 137 O GLN A 11 3.572 -4.662 -12.373 1.00 0.00 O ATOM 138 CB GLN A 11 6.425 -5.191 -11.205 1.00 0.00 C ATOM 139 CG GLN A 11 6.354 -3.798 -11.835 1.00 0.00 C ATOM 140 CD GLN A 11 6.970 -3.798 -13.235 1.00 0.00 C ATOM 141 OE1 GLN A 11 6.299 -3.601 -14.236 1.00 0.00 O ATOM 142 NE2 GLN A 11 8.280 -4.028 -13.252 1.00 0.00 N ATOM 0 H GLN A 11 6.060 -7.326 -9.996 1.00 0.00 H new ATOM 0 HA GLN A 11 4.667 -4.942 -10.027 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.101 -5.173 -10.350 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.838 -5.899 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.315 -3.473 -11.891 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.879 -3.082 -11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.782 -4.185 -12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.783 -4.047 -14.139 1.00 0.00 H new ATOM 149 N GLU A 12 3.819 -6.909 -12.418 1.00 0.00 N ATOM 150 CA GLU A 12 2.913 -7.097 -13.539 1.00 0.00 C ATOM 151 C GLU A 12 1.470 -7.214 -13.042 1.00 0.00 C ATOM 152 O GLU A 12 0.660 -6.315 -13.262 1.00 0.00 O ATOM 153 CB GLU A 12 3.308 -8.323 -14.364 1.00 0.00 C ATOM 154 CG GLU A 12 3.746 -7.917 -15.774 1.00 0.00 C ATOM 155 CD GLU A 12 3.157 -8.861 -16.824 1.00 0.00 C ATOM 156 OE1 GLU A 12 2.172 -8.511 -17.490 1.00 0.00 O ATOM 157 OE2 GLU A 12 3.760 -9.996 -16.936 1.00 0.00 O ATOM 0 H GLU A 12 4.230 -7.768 -12.053 1.00 0.00 H new ATOM 0 HA GLU A 12 2.984 -6.224 -14.188 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.119 -8.855 -13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.465 -9.012 -14.425 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.426 -6.895 -15.978 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.834 -7.929 -15.838 1.00 0.00 H new ATOM 163 N LEU A 13 1.195 -8.328 -12.380 1.00 0.00 N ATOM 164 CA LEU A 13 -0.135 -8.574 -11.849 1.00 0.00 C ATOM 165 C LEU A 13 -0.673 -7.288 -11.217 1.00 0.00 C ATOM 166 O LEU A 13 -1.826 -6.921 -11.434 1.00 0.00 O ATOM 167 CB LEU A 13 -0.119 -9.768 -10.893 1.00 0.00 C ATOM 168 CG LEU A 13 0.957 -9.743 -9.806 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.386 -9.235 -8.480 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.619 -11.113 -9.657 1.00 0.00 C ATOM 0 H LEU A 13 1.871 -9.071 -12.199 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.820 -8.847 -12.651 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.094 -9.834 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.008 -10.677 -11.481 1.00 0.00 H new ATOM 0 HG LEU A 13 1.734 -9.042 -10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.172 -9.227 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.001 -8.224 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.422 -9.891 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.380 -11.067 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.866 -11.853 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.084 -11.397 -10.601 1.00 0.00 H new ATOM 181 N ILE A 14 0.189 -6.639 -10.447 1.00 0.00 N ATOM 182 CA ILE A 14 -0.185 -5.402 -9.782 1.00 0.00 C ATOM 183 C ILE A 14 -0.770 -4.433 -10.811 1.00 0.00 C ATOM 184 O ILE A 14 -1.731 -3.720 -10.521 1.00 0.00 O ATOM 185 CB ILE A 14 1.003 -4.832 -9.005 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.768 -4.928 -7.496 1.00 0.00 C ATOM 187 CG2 ILE A 14 1.310 -3.400 -9.447 1.00 0.00 C ATOM 188 CD1 ILE A 14 2.074 -5.217 -6.755 1.00 0.00 C ATOM 0 H ILE A 14 1.145 -6.947 -10.269 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.962 -5.587 -9.040 1.00 0.00 H new ATOM 0 HB ILE A 14 1.882 -5.435 -9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.338 -3.995 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.045 -5.716 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.159 -3.018 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.551 -3.391 -10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.440 -2.769 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.879 -5.280 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.489 -6.162 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.786 -4.415 -6.947 1.00 0.00 H new ATOM 199 N ALA A 15 -0.166 -4.435 -11.990 1.00 0.00 N ATOM 200 CA ALA A 15 -0.616 -3.564 -13.063 1.00 0.00 C ATOM 201 C ALA A 15 -1.670 -4.293 -13.898 1.00 0.00 C ATOM 202 O ALA A 15 -1.989 -3.869 -15.008 1.00 0.00 O ATOM 203 CB ALA A 15 0.588 -3.121 -13.899 1.00 0.00 C ATOM 0 H ALA A 15 0.631 -5.026 -12.226 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.081 -2.665 -12.659 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.251 -2.468 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.293 -2.583 -13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.078 -3.997 -14.324 1.00 0.00 H new ATOM 209 N ARG A 16 -2.182 -5.377 -13.333 1.00 0.00 N ATOM 210 CA ARG A 16 -3.193 -6.168 -14.011 1.00 0.00 C ATOM 211 C ARG A 16 -4.522 -6.090 -13.257 1.00 0.00 C ATOM 212 O ARG A 16 -5.589 -6.184 -13.861 1.00 0.00 O ATOM 213 CB ARG A 16 -2.763 -7.632 -14.124 1.00 0.00 C ATOM 214 CG ARG A 16 -1.489 -7.766 -14.962 1.00 0.00 C ATOM 215 CD ARG A 16 -1.436 -9.124 -15.664 1.00 0.00 C ATOM 216 NE ARG A 16 -1.034 -8.947 -17.078 1.00 0.00 N ATOM 217 CZ ARG A 16 -1.193 -9.887 -18.033 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.747 -11.081 -17.735 1.00 0.00 N ATOM 219 NH2 ARG A 16 -0.798 -9.621 -19.265 1.00 0.00 N ATOM 0 H ARG A 16 -1.915 -5.726 -12.412 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.316 -5.759 -15.014 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.593 -8.043 -13.129 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.564 -8.216 -14.577 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.451 -6.968 -15.703 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.614 -7.649 -14.322 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.728 -9.778 -15.155 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.411 -9.608 -15.612 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.610 -8.059 -17.347 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.050 -11.279 -16.781 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.863 -11.785 -18.464 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.380 -8.716 -19.482 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.911 -10.320 -19.999 1.00 0.00 H new ATOM 229 N GLY A 17 -4.413 -5.923 -11.947 1.00 0.00 N ATOM 230 CA GLY A 17 -5.593 -5.832 -11.103 1.00 0.00 C ATOM 231 C GLY A 17 -5.297 -6.340 -9.691 1.00 0.00 C ATOM 232 O GLY A 17 -6.016 -6.015 -8.748 1.00 0.00 O ATOM 0 H GLY A 17 -3.526 -5.848 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.933 -4.797 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.403 -6.415 -11.541 1.00 0.00 H new ATOM 236 N ALA A 18 -4.236 -7.127 -9.589 1.00 0.00 N ATOM 237 CA ALA A 18 -3.837 -7.682 -8.308 1.00 0.00 C ATOM 238 C ALA A 18 -4.010 -6.620 -7.220 1.00 0.00 C ATOM 239 O ALA A 18 -3.468 -5.522 -7.329 1.00 0.00 O ATOM 240 CB ALA A 18 -2.398 -8.194 -8.399 1.00 0.00 C ATOM 0 H ALA A 18 -3.641 -7.393 -10.373 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.469 -8.530 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.099 -8.611 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.335 -8.967 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.734 -7.370 -8.660 1.00 0.00 H new ATOM 246 N LYS A 19 -4.767 -6.987 -6.196 1.00 0.00 N ATOM 247 CA LYS A 19 -5.018 -6.079 -5.090 1.00 0.00 C ATOM 248 C LYS A 19 -4.122 -6.460 -3.908 1.00 0.00 C ATOM 249 O LYS A 19 -4.354 -7.474 -3.252 1.00 0.00 O ATOM 250 CB LYS A 19 -6.509 -6.051 -4.747 1.00 0.00 C ATOM 251 CG LYS A 19 -7.175 -4.789 -5.298 1.00 0.00 C ATOM 252 CD LYS A 19 -6.601 -3.534 -4.639 1.00 0.00 C ATOM 253 CE LYS A 19 -6.747 -2.317 -5.556 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.293 -2.644 -6.927 1.00 0.00 N ATOM 0 H LYS A 19 -5.214 -7.900 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.760 -5.058 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.997 -6.934 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.638 -6.092 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.028 -4.737 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.250 -4.836 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.115 -3.347 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.549 -3.692 -4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.788 -1.994 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.163 -1.485 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.027 -1.769 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.470 -3.279 -6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.063 -3.114 -7.445 1.00 0.00 H new ATOM 263 N LEU A 20 -3.118 -5.627 -3.675 1.00 0.00 N ATOM 264 CA LEU A 20 -2.187 -5.864 -2.585 1.00 0.00 C ATOM 265 C LEU A 20 -2.641 -5.079 -1.353 1.00 0.00 C ATOM 266 O LEU A 20 -3.276 -4.033 -1.479 1.00 0.00 O ATOM 267 CB LEU A 20 -0.757 -5.547 -3.025 1.00 0.00 C ATOM 268 CG LEU A 20 0.245 -5.272 -1.901 1.00 0.00 C ATOM 269 CD1 LEU A 20 0.560 -6.551 -1.123 1.00 0.00 C ATOM 270 CD2 LEU A 20 1.510 -4.604 -2.445 1.00 0.00 C ATOM 0 H LEU A 20 -2.929 -4.787 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.184 -6.918 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.387 -6.383 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.784 -4.677 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.211 -4.573 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.274 -6.328 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.357 -6.946 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.987 -7.292 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.205 -4.420 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.980 -5.258 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.247 -3.658 -2.918 1.00 0.00 H new ATOM 281 N ILE A 21 -2.296 -5.613 -0.190 1.00 0.00 N ATOM 282 CA ILE A 21 -2.659 -4.975 1.064 1.00 0.00 C ATOM 283 C ILE A 21 -1.390 -4.678 1.866 1.00 0.00 C ATOM 284 O ILE A 21 -0.326 -5.220 1.574 1.00 0.00 O ATOM 285 CB ILE A 21 -3.680 -5.826 1.821 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.644 -6.517 0.854 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.420 -4.991 2.868 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.382 -5.492 -0.010 1.00 0.00 C ATOM 0 H ILE A 21 -1.769 -6.480 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.150 -4.020 0.878 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.142 -6.610 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.092 -7.206 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.365 -7.111 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.140 -5.620 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.704 -4.586 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.944 -4.172 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.061 -6.009 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.952 -4.819 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.660 -4.916 -0.589 1.00 0.00 H new ATOM 299 N ASP A 22 -1.546 -3.816 2.861 1.00 0.00 N ATOM 300 CA ASP A 22 -0.427 -3.440 3.707 1.00 0.00 C ATOM 301 C ASP A 22 -0.741 -3.815 5.157 1.00 0.00 C ATOM 302 O ASP A 22 -1.134 -2.963 5.951 1.00 0.00 O ATOM 303 CB ASP A 22 -0.178 -1.932 3.652 1.00 0.00 C ATOM 304 CG ASP A 22 -0.105 -1.339 2.244 1.00 0.00 C ATOM 305 OD1 ASP A 22 0.625 -1.841 1.376 1.00 0.00 O ATOM 306 OD2 ASP A 22 -0.851 -0.304 2.049 1.00 0.00 O ATOM 0 H ASP A 22 -2.431 -3.368 3.100 1.00 0.00 H new ATOM 0 HA ASP A 22 0.458 -3.965 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.973 -1.428 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.756 -1.714 4.170 1.00 0.00 H new ATOM 311 N ILE A 23 -0.555 -5.092 5.458 1.00 0.00 N ATOM 312 CA ILE A 23 -0.814 -5.591 6.798 1.00 0.00 C ATOM 313 C ILE A 23 0.372 -5.247 7.703 1.00 0.00 C ATOM 314 O ILE A 23 1.030 -6.139 8.235 1.00 0.00 O ATOM 315 CB ILE A 23 -1.145 -7.084 6.760 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.115 -7.920 6.529 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.228 -7.379 5.719 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.395 -8.831 7.725 1.00 0.00 C ATOM 0 H ILE A 23 -0.228 -5.796 4.797 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.692 -5.105 7.222 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.546 -7.370 7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.004 -8.522 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.967 -7.261 6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.445 -8.447 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.134 -6.827 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.878 -7.074 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.296 -9.414 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.538 -8.224 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.449 -9.505 7.875 1.00 0.00 H new ATOM 329 N ARG A 24 0.607 -3.951 7.848 1.00 0.00 N ATOM 330 CA ARG A 24 1.701 -3.478 8.679 1.00 0.00 C ATOM 331 C ARG A 24 1.217 -2.369 9.615 1.00 0.00 C ATOM 332 O ARG A 24 0.758 -2.643 10.722 1.00 0.00 O ATOM 333 CB ARG A 24 2.854 -2.948 7.823 1.00 0.00 C ATOM 334 CG ARG A 24 2.376 -2.612 6.409 1.00 0.00 C ATOM 335 CD ARG A 24 3.288 -1.572 5.755 1.00 0.00 C ATOM 336 NE ARG A 24 2.499 -0.386 5.356 1.00 0.00 N ATOM 337 CZ ARG A 24 2.837 0.446 4.348 1.00 0.00 C ATOM 338 NH1 ARG A 24 3.957 0.226 3.626 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.058 1.476 4.079 1.00 0.00 N ATOM 0 H ARG A 24 0.059 -3.214 7.404 1.00 0.00 H new ATOM 0 HA ARG A 24 2.059 -4.323 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.278 -2.058 8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.649 -3.693 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.358 -3.518 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.355 -2.233 6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.075 -1.278 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.778 -2.004 4.882 1.00 0.00 H new ATOM 0 HE ARG A 24 1.645 -0.184 5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.554 -0.573 3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.206 0.859 2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.214 1.635 4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.300 2.114 3.321 1.00 0.00 H new ATOM 349 N ASP A 25 1.336 -1.140 9.134 1.00 0.00 N ATOM 350 CA ASP A 25 0.915 0.012 9.914 1.00 0.00 C ATOM 351 C ASP A 25 0.335 1.073 8.976 1.00 0.00 C ATOM 352 O ASP A 25 0.161 0.824 7.783 1.00 0.00 O ATOM 353 CB ASP A 25 2.098 0.636 10.657 1.00 0.00 C ATOM 354 CG ASP A 25 2.189 0.279 12.142 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.254 0.528 12.917 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.293 -0.286 12.500 1.00 0.00 O ATOM 0 H ASP A 25 1.718 -0.917 8.215 1.00 0.00 H new ATOM 0 HA ASP A 25 0.171 -0.324 10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.021 0.325 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.036 1.720 10.562 1.00 0.00 H new ATOM 361 N ALA A 26 0.051 2.233 9.550 1.00 0.00 N ATOM 362 CA ALA A 26 -0.507 3.331 8.781 1.00 0.00 C ATOM 363 C ALA A 26 0.584 4.373 8.523 1.00 0.00 C ATOM 364 O ALA A 26 0.814 4.767 7.380 1.00 0.00 O ATOM 365 CB ALA A 26 -1.709 3.917 9.523 1.00 0.00 C ATOM 0 H ALA A 26 0.197 2.436 10.539 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.863 2.979 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.127 4.741 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.467 3.145 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.391 4.283 10.499 1.00 0.00 H new ATOM 371 N ASP A 27 1.227 4.790 9.604 1.00 0.00 N ATOM 372 CA ASP A 27 2.287 5.777 9.509 1.00 0.00 C ATOM 373 C ASP A 27 3.132 5.496 8.265 1.00 0.00 C ATOM 374 O ASP A 27 3.457 6.412 7.511 1.00 0.00 O ATOM 375 CB ASP A 27 3.210 5.715 10.729 1.00 0.00 C ATOM 376 CG ASP A 27 2.769 6.572 11.917 1.00 0.00 C ATOM 377 OD1 ASP A 27 1.698 6.351 12.502 1.00 0.00 O ATOM 378 OD2 ASP A 27 3.587 7.515 12.242 1.00 0.00 O ATOM 0 H ASP A 27 1.033 4.462 10.550 1.00 0.00 H new ATOM 0 HA ASP A 27 1.824 6.762 9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.286 4.678 11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.209 6.027 10.426 1.00 0.00 H new ATOM 383 N GLU A 28 3.462 4.225 8.087 1.00 0.00 N ATOM 384 CA GLU A 28 4.261 3.812 6.947 1.00 0.00 C ATOM 385 C GLU A 28 3.744 4.473 5.667 1.00 0.00 C ATOM 386 O GLU A 28 4.469 5.221 5.014 1.00 0.00 O ATOM 387 CB GLU A 28 4.274 2.288 6.809 1.00 0.00 C ATOM 388 CG GLU A 28 4.590 1.619 8.149 1.00 0.00 C ATOM 389 CD GLU A 28 5.662 2.400 8.912 1.00 0.00 C ATOM 390 OE1 GLU A 28 6.633 2.874 8.304 1.00 0.00 O ATOM 391 OE2 GLU A 28 5.459 2.505 10.182 1.00 0.00 O ATOM 0 H GLU A 28 3.190 3.468 8.714 1.00 0.00 H new ATOM 0 HA GLU A 28 5.288 4.138 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.306 1.944 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.016 1.993 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.683 1.556 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.931 0.598 7.978 1.00 0.00 H new ATOM 397 N TYR A 29 2.493 4.173 5.349 1.00 0.00 N ATOM 398 CA TYR A 29 1.870 4.730 4.160 1.00 0.00 C ATOM 399 C TYR A 29 2.205 6.216 4.009 1.00 0.00 C ATOM 400 O TYR A 29 2.203 6.747 2.900 1.00 0.00 O ATOM 401 CB TYR A 29 0.362 4.578 4.364 1.00 0.00 C ATOM 402 CG TYR A 29 -0.485 5.260 3.287 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.658 4.654 2.059 1.00 0.00 C ATOM 404 CD2 TYR A 29 -1.073 6.482 3.542 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.454 5.296 1.046 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.868 7.124 2.529 1.00 0.00 C ATOM 407 CZ TYR A 29 -2.020 6.499 1.331 1.00 0.00 C ATOM 408 OH TYR A 29 -2.771 7.106 0.372 1.00 0.00 O ATOM 0 H TYR A 29 1.894 3.552 5.894 1.00 0.00 H new ATOM 0 HA TYR A 29 2.225 4.218 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.114 3.517 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.094 4.990 5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.196 3.699 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.936 6.957 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.598 4.833 0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.333 8.080 2.716 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.113 7.958 0.715 1.00 0.00 H new ATOM 417 N LEU A 30 2.485 6.844 5.143 1.00 0.00 N ATOM 418 CA LEU A 30 2.820 8.258 5.150 1.00 0.00 C ATOM 419 C LEU A 30 4.085 8.482 4.319 1.00 0.00 C ATOM 420 O LEU A 30 4.010 8.947 3.182 1.00 0.00 O ATOM 421 CB LEU A 30 2.929 8.775 6.586 1.00 0.00 C ATOM 422 CG LEU A 30 2.766 10.285 6.770 1.00 0.00 C ATOM 423 CD1 LEU A 30 2.291 10.617 8.186 1.00 0.00 C ATOM 424 CD2 LEU A 30 4.057 11.023 6.410 1.00 0.00 C ATOM 0 H LEU A 30 2.487 6.400 6.061 1.00 0.00 H new ATOM 0 HA LEU A 30 2.025 8.840 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.174 8.272 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.901 8.484 6.983 1.00 0.00 H new ATOM 0 HG LEU A 30 1.994 10.632 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.183 11.697 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.330 10.137 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.021 10.254 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.914 12.095 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.865 10.678 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.312 10.823 5.369 1.00 0.00 H new ATOM 435 N ARG A 31 5.216 8.140 4.917 1.00 0.00 N ATOM 436 CA ARG A 31 6.495 8.298 4.246 1.00 0.00 C ATOM 437 C ARG A 31 6.480 7.574 2.898 1.00 0.00 C ATOM 438 O ARG A 31 6.446 8.212 1.847 1.00 0.00 O ATOM 439 CB ARG A 31 7.638 7.746 5.101 1.00 0.00 C ATOM 440 CG ARG A 31 8.198 8.825 6.031 1.00 0.00 C ATOM 441 CD ARG A 31 9.664 9.118 5.710 1.00 0.00 C ATOM 442 NE ARG A 31 9.769 10.352 4.900 1.00 0.00 N ATOM 443 CZ ARG A 31 10.938 10.923 4.539 1.00 0.00 C ATOM 444 NH1 ARG A 31 12.113 10.375 4.913 1.00 0.00 N ATOM 445 NH2 ARG A 31 10.913 12.026 3.814 1.00 0.00 N ATOM 0 H ARG A 31 5.274 7.754 5.859 1.00 0.00 H new ATOM 0 HA ARG A 31 6.657 9.364 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.281 6.902 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.431 7.370 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.611 9.738 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.107 8.500 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.231 9.230 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.101 8.279 5.168 1.00 0.00 H new ATOM 0 HE ARG A 31 8.904 10.799 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.123 9.523 5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.991 10.813 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.020 12.433 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.786 12.471 3.532 1.00 0.00 H new ATOM 455 N GLU A 32 6.507 6.251 2.973 1.00 0.00 N ATOM 456 CA GLU A 32 6.497 5.434 1.771 1.00 0.00 C ATOM 457 C GLU A 32 5.122 4.791 1.579 1.00 0.00 C ATOM 458 O GLU A 32 4.194 5.063 2.338 1.00 0.00 O ATOM 459 CB GLU A 32 7.597 4.372 1.822 1.00 0.00 C ATOM 460 CG GLU A 32 8.983 5.018 1.833 1.00 0.00 C ATOM 461 CD GLU A 32 9.680 4.800 3.177 1.00 0.00 C ATOM 462 OE1 GLU A 32 9.551 3.721 3.774 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.376 5.800 3.600 1.00 0.00 O ATOM 0 H GLU A 32 6.536 5.725 3.846 1.00 0.00 H new ATOM 0 HA GLU A 32 6.698 6.078 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.472 3.756 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.508 3.709 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.591 4.597 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.892 6.086 1.636 1.00 0.00 H new ATOM 469 N HIS A 33 5.035 3.949 0.559 1.00 0.00 N ATOM 470 CA HIS A 33 3.789 3.265 0.257 1.00 0.00 C ATOM 471 C HIS A 33 4.086 1.829 -0.182 1.00 0.00 C ATOM 472 O HIS A 33 4.563 1.020 0.612 1.00 0.00 O ATOM 473 CB HIS A 33 2.978 4.045 -0.779 1.00 0.00 C ATOM 474 CG HIS A 33 1.640 3.427 -1.103 1.00 0.00 C ATOM 475 ND1 HIS A 33 0.631 4.119 -1.752 1.00 0.00 N ATOM 476 CD2 HIS A 33 1.154 2.174 -0.863 1.00 0.00 C ATOM 477 CE1 HIS A 33 -0.409 3.311 -1.890 1.00 0.00 C ATOM 478 NE2 HIS A 33 -0.084 2.106 -1.337 1.00 0.00 N ATOM 0 H HIS A 33 5.807 3.725 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 33 3.171 3.215 1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.819 5.059 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.561 4.125 -1.696 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.681 5.087 -2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.687 1.374 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.350 3.561 -2.358 1.00 0.00 H new ATOM 485 N ILE A 34 3.792 1.557 -1.444 1.00 0.00 N ATOM 486 CA ILE A 34 4.020 0.233 -1.998 1.00 0.00 C ATOM 487 C ILE A 34 3.445 0.171 -3.413 1.00 0.00 C ATOM 488 O ILE A 34 2.746 1.087 -3.844 1.00 0.00 O ATOM 489 CB ILE A 34 3.466 -0.842 -1.062 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.558 -1.838 -0.663 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.254 -1.539 -1.682 1.00 0.00 C ATOM 492 CD1 ILE A 34 3.982 -3.245 -0.495 1.00 0.00 C ATOM 0 H ILE A 34 3.397 2.231 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 34 5.088 0.033 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 34 3.124 -0.355 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.340 -1.850 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.024 -1.518 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.880 -2.299 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.471 -0.805 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.546 -2.010 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.779 -3.933 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.218 -3.235 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.539 -3.571 -1.436 1.00 0.00 H new ATOM 503 N PRO A 35 3.769 -0.947 -4.117 1.00 0.00 N ATOM 504 CA PRO A 35 3.292 -1.141 -5.476 1.00 0.00 C ATOM 505 C PRO A 35 1.809 -1.520 -5.488 1.00 0.00 C ATOM 506 O PRO A 35 1.467 -2.697 -5.598 1.00 0.00 O ATOM 507 CB PRO A 35 4.187 -2.224 -6.057 1.00 0.00 C ATOM 508 CG PRO A 35 4.823 -2.921 -4.866 1.00 0.00 C ATOM 509 CD PRO A 35 4.594 -2.053 -3.640 1.00 0.00 C ATOM 0 HA PRO A 35 3.349 -0.232 -6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.610 -2.926 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.947 -1.794 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.383 -3.908 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.890 -3.069 -5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.091 -2.610 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.537 -1.694 -3.227 1.00 0.00 H new ATOM 514 N GLU A 36 0.969 -0.502 -5.373 1.00 0.00 N ATOM 515 CA GLU A 36 -0.468 -0.715 -5.369 1.00 0.00 C ATOM 516 C GLU A 36 -0.895 -1.434 -4.088 1.00 0.00 C ATOM 517 O GLU A 36 -0.710 -2.643 -3.960 1.00 0.00 O ATOM 518 CB GLU A 36 -0.911 -1.494 -6.609 1.00 0.00 C ATOM 519 CG GLU A 36 -1.765 -0.619 -7.529 1.00 0.00 C ATOM 520 CD GLU A 36 -0.913 0.453 -8.213 1.00 0.00 C ATOM 521 OE1 GLU A 36 -0.288 1.276 -7.529 1.00 0.00 O ATOM 522 OE2 GLU A 36 -0.913 0.409 -9.502 1.00 0.00 O ATOM 0 H GLU A 36 1.256 0.473 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.959 0.258 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.035 -1.851 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.480 -2.373 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.248 -1.241 -8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.558 -0.144 -6.952 1.00 0.00 H new ATOM 528 N ALA A 37 -1.457 -0.660 -3.172 1.00 0.00 N ATOM 529 CA ALA A 37 -1.911 -1.208 -1.905 1.00 0.00 C ATOM 530 C ALA A 37 -2.987 -0.293 -1.314 1.00 0.00 C ATOM 531 O ALA A 37 -3.355 0.710 -1.922 1.00 0.00 O ATOM 532 CB ALA A 37 -0.717 -1.385 -0.966 1.00 0.00 C ATOM 0 H ALA A 37 -1.609 0.343 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.358 -2.191 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.059 -1.796 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.003 -2.067 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.243 -0.419 -0.794 1.00 0.00 H new ATOM 538 N ASP A 38 -3.459 -0.673 -0.136 1.00 0.00 N ATOM 539 CA ASP A 38 -4.484 0.101 0.543 1.00 0.00 C ATOM 540 C ASP A 38 -4.327 -0.070 2.056 1.00 0.00 C ATOM 541 O ASP A 38 -4.349 -1.190 2.563 1.00 0.00 O ATOM 542 CB ASP A 38 -5.884 -0.379 0.156 1.00 0.00 C ATOM 543 CG ASP A 38 -6.956 0.712 0.126 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.792 0.813 1.036 1.00 0.00 O ATOM 545 OD2 ASP A 38 -6.911 1.492 -0.902 1.00 0.00 O ATOM 0 H ASP A 38 -3.151 -1.506 0.365 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.367 1.145 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.833 -0.844 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.194 -1.153 0.859 1.00 0.00 H new ATOM 550 N LEU A 39 -4.173 1.058 2.734 1.00 0.00 N ATOM 551 CA LEU A 39 -4.013 1.047 4.178 1.00 0.00 C ATOM 552 C LEU A 39 -4.939 -0.012 4.782 1.00 0.00 C ATOM 553 O LEU A 39 -6.160 0.129 4.738 1.00 0.00 O ATOM 554 CB LEU A 39 -4.225 2.449 4.752 1.00 0.00 C ATOM 555 CG LEU A 39 -3.992 2.601 6.256 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.794 1.766 6.712 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.843 4.075 6.642 1.00 0.00 C ATOM 0 H LEU A 39 -4.156 1.986 2.310 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.993 0.769 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.561 3.138 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.246 2.760 4.529 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.869 2.218 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.650 1.892 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.978 0.715 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.899 2.096 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.678 4.155 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.994 4.506 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.751 4.615 6.373 1.00 0.00 H new ATOM 568 N ALA A 40 -4.323 -1.048 5.331 1.00 0.00 N ATOM 569 CA ALA A 40 -5.076 -2.128 5.943 1.00 0.00 C ATOM 570 C ALA A 40 -4.134 -2.986 6.790 1.00 0.00 C ATOM 571 O ALA A 40 -3.778 -4.096 6.399 1.00 0.00 O ATOM 572 CB ALA A 40 -5.781 -2.940 4.853 1.00 0.00 C ATOM 0 H ALA A 40 -3.310 -1.162 5.365 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.846 -1.731 6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.347 -3.751 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.460 -2.292 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.039 -3.356 4.171 1.00 0.00 H new ATOM 578 N PRO A 41 -3.748 -2.423 7.967 1.00 0.00 N ATOM 579 CA PRO A 41 -2.853 -3.123 8.873 1.00 0.00 C ATOM 580 C PRO A 41 -3.588 -4.244 9.611 1.00 0.00 C ATOM 581 O PRO A 41 -4.799 -4.170 9.812 1.00 0.00 O ATOM 582 CB PRO A 41 -2.318 -2.050 9.806 1.00 0.00 C ATOM 583 CG PRO A 41 -3.280 -0.878 9.688 1.00 0.00 C ATOM 584 CD PRO A 41 -4.150 -1.110 8.463 1.00 0.00 C ATOM 0 HA PRO A 41 -2.036 -3.623 8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.269 -2.414 10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.307 -1.756 9.524 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.896 -0.798 10.584 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.731 0.059 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.209 -1.091 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.990 -0.337 7.712 1.00 0.00 H new ATOM 589 N LEU A 42 -2.825 -5.257 9.995 1.00 0.00 N ATOM 590 CA LEU A 42 -3.389 -6.392 10.706 1.00 0.00 C ATOM 591 C LEU A 42 -4.425 -5.892 11.715 1.00 0.00 C ATOM 592 O LEU A 42 -5.587 -6.292 11.666 1.00 0.00 O ATOM 593 CB LEU A 42 -2.278 -7.236 11.333 1.00 0.00 C ATOM 594 CG LEU A 42 -2.588 -8.723 11.517 1.00 0.00 C ATOM 595 CD1 LEU A 42 -1.391 -9.587 11.119 1.00 0.00 C ATOM 596 CD2 LEU A 42 -3.054 -9.013 12.946 1.00 0.00 C ATOM 0 H LEU A 42 -1.821 -5.315 9.827 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.910 -7.054 10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.386 -7.145 10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.033 -6.813 12.307 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.409 -8.985 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.639 -10.639 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.146 -9.409 10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.534 -9.330 11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.268 -10.077 13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.270 -8.730 13.649 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.956 -8.439 13.158 1.00 0.00 H new ATOM 607 N SER A 43 -3.968 -5.024 12.605 1.00 0.00 N ATOM 608 CA SER A 43 -4.840 -4.465 13.623 1.00 0.00 C ATOM 609 C SER A 43 -6.244 -4.256 13.051 1.00 0.00 C ATOM 610 O SER A 43 -7.236 -4.390 13.767 1.00 0.00 O ATOM 611 CB SER A 43 -4.284 -3.145 14.162 1.00 0.00 C ATOM 612 OG SER A 43 -3.744 -3.290 15.472 1.00 0.00 O ATOM 0 H SER A 43 -3.004 -4.694 12.642 1.00 0.00 H new ATOM 0 HA SER A 43 -4.893 -5.170 14.452 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.510 -2.776 13.489 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.076 -2.397 14.177 1.00 0.00 H new ATOM 0 HG SER A 43 -3.398 -2.427 15.780 1.00 0.00 H new ATOM 617 N VAL A 44 -6.283 -3.931 11.767 1.00 0.00 N ATOM 618 CA VAL A 44 -7.549 -3.702 11.092 1.00 0.00 C ATOM 619 C VAL A 44 -8.121 -5.041 10.622 1.00 0.00 C ATOM 620 O VAL A 44 -9.278 -5.355 10.896 1.00 0.00 O ATOM 621 CB VAL A 44 -7.359 -2.700 9.951 1.00 0.00 C ATOM 622 CG1 VAL A 44 -8.678 -2.447 9.218 1.00 0.00 C ATOM 623 CG2 VAL A 44 -6.758 -1.390 10.465 1.00 0.00 C ATOM 0 H VAL A 44 -5.459 -3.821 11.177 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.273 -3.262 11.777 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.657 -3.134 9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.515 -1.731 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.049 -3.384 8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.411 -2.045 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.634 -0.696 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.424 -0.951 11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.788 -1.589 10.920 1.00 0.00 H new ATOM 633 N LEU A 45 -7.284 -5.793 9.924 1.00 0.00 N ATOM 634 CA LEU A 45 -7.693 -7.091 9.415 1.00 0.00 C ATOM 635 C LEU A 45 -8.404 -7.869 10.524 1.00 0.00 C ATOM 636 O LEU A 45 -9.427 -8.508 10.280 1.00 0.00 O ATOM 637 CB LEU A 45 -6.495 -7.832 8.816 1.00 0.00 C ATOM 638 CG LEU A 45 -5.991 -7.313 7.467 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.564 -8.138 6.313 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.290 -5.820 7.309 1.00 0.00 C ATOM 0 H LEU A 45 -6.325 -5.529 9.699 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.407 -6.973 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.672 -7.789 9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.763 -8.882 8.702 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.908 -7.430 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.190 -7.748 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.259 -9.179 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.652 -8.076 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.922 -5.476 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.366 -5.656 7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.795 -5.264 8.105 1.00 0.00 H new ATOM 651 N GLU A 46 -7.836 -7.790 11.718 1.00 0.00 N ATOM 652 CA GLU A 46 -8.403 -8.478 12.864 1.00 0.00 C ATOM 653 C GLU A 46 -9.727 -7.828 13.271 1.00 0.00 C ATOM 654 O GLU A 46 -10.625 -8.503 13.772 1.00 0.00 O ATOM 655 CB GLU A 46 -7.418 -8.496 14.035 1.00 0.00 C ATOM 656 CG GLU A 46 -6.665 -9.827 14.098 1.00 0.00 C ATOM 657 CD GLU A 46 -7.142 -10.671 15.282 1.00 0.00 C ATOM 658 OE1 GLU A 46 -8.174 -11.352 15.182 1.00 0.00 O ATOM 659 OE2 GLU A 46 -6.399 -10.604 16.334 1.00 0.00 O ATOM 0 H GLU A 46 -6.988 -7.259 11.916 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.600 -9.512 12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.707 -7.677 13.929 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.955 -8.333 14.969 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.815 -10.378 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.595 -9.640 14.188 1.00 0.00 H new ATOM 665 N GLN A 47 -9.807 -6.526 13.039 1.00 0.00 N ATOM 666 CA GLN A 47 -11.007 -5.778 13.376 1.00 0.00 C ATOM 667 C GLN A 47 -12.082 -5.995 12.310 1.00 0.00 C ATOM 668 O GLN A 47 -13.273 -6.011 12.619 1.00 0.00 O ATOM 669 CB GLN A 47 -10.694 -4.291 13.547 1.00 0.00 C ATOM 670 CG GLN A 47 -10.653 -3.906 15.027 1.00 0.00 C ATOM 671 CD GLN A 47 -11.477 -2.643 15.289 1.00 0.00 C ATOM 672 OE1 GLN A 47 -11.463 -1.691 14.526 1.00 0.00 O ATOM 673 NE2 GLN A 47 -12.195 -2.689 16.407 1.00 0.00 N ATOM 0 H GLN A 47 -9.061 -5.970 12.622 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.389 -6.146 14.328 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.736 -4.062 13.081 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.449 -3.695 13.033 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.038 -4.728 15.631 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.620 -3.741 15.335 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.161 -3.517 17.001 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.780 -1.896 16.670 1.00 0.00 H new ATOM 680 N SER A 48 -11.625 -6.155 11.077 1.00 0.00 N ATOM 681 CA SER A 48 -12.534 -6.369 9.964 1.00 0.00 C ATOM 682 C SER A 48 -12.059 -7.554 9.121 1.00 0.00 C ATOM 683 O SER A 48 -12.761 -8.556 8.999 1.00 0.00 O ATOM 684 CB SER A 48 -12.649 -5.114 9.097 1.00 0.00 C ATOM 685 OG SER A 48 -13.917 -5.024 8.452 1.00 0.00 O ATOM 0 H SER A 48 -10.637 -6.141 10.824 1.00 0.00 H new ATOM 0 HA SER A 48 -13.522 -6.591 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.494 -4.230 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.860 -5.119 8.345 1.00 0.00 H new ATOM 0 HG SER A 48 -13.951 -4.208 7.910 1.00 0.00 H new ATOM 690 N GLY A 49 -10.869 -7.401 8.559 1.00 0.00 N ATOM 691 CA GLY A 49 -10.291 -8.445 7.731 1.00 0.00 C ATOM 692 C GLY A 49 -10.339 -8.061 6.251 1.00 0.00 C ATOM 693 O GLY A 49 -10.703 -6.937 5.910 1.00 0.00 O ATOM 0 H GLY A 49 -10.289 -6.568 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.258 -8.622 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.832 -9.378 7.886 1.00 0.00 H new ATOM 697 N LEU A 50 -9.967 -9.017 5.412 1.00 0.00 N ATOM 698 CA LEU A 50 -9.963 -8.792 3.976 1.00 0.00 C ATOM 699 C LEU A 50 -11.172 -7.935 3.595 1.00 0.00 C ATOM 700 O LEU A 50 -12.314 -8.368 3.739 1.00 0.00 O ATOM 701 CB LEU A 50 -9.892 -10.125 3.227 1.00 0.00 C ATOM 702 CG LEU A 50 -10.535 -10.147 1.839 1.00 0.00 C ATOM 703 CD1 LEU A 50 -12.062 -10.141 1.942 1.00 0.00 C ATOM 704 CD2 LEU A 50 -10.014 -8.998 0.973 1.00 0.00 C ATOM 0 H LEU A 50 -9.666 -9.949 5.699 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.073 -8.237 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.844 -10.407 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.370 -10.890 3.840 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.249 -11.076 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.494 -10.157 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.393 -11.021 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.388 -9.241 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.488 -9.038 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.249 -8.047 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.934 -9.090 0.858 1.00 0.00 H new ATOM 715 N PRO A 51 -10.871 -6.704 3.104 1.00 0.00 N ATOM 716 CA PRO A 51 -11.919 -5.783 2.701 1.00 0.00 C ATOM 717 C PRO A 51 -12.535 -6.203 1.365 1.00 0.00 C ATOM 718 O PRO A 51 -12.178 -7.242 0.812 1.00 0.00 O ATOM 719 CB PRO A 51 -11.245 -4.421 2.641 1.00 0.00 C ATOM 720 CG PRO A 51 -9.753 -4.698 2.559 1.00 0.00 C ATOM 721 CD PRO A 51 -9.530 -6.158 2.919 1.00 0.00 C ATOM 0 HA PRO A 51 -12.756 -5.769 3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.585 -3.855 1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.484 -3.828 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.381 -4.491 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.206 -4.048 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.994 -6.683 2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.934 -6.255 3.827 1.00 0.00 H new ATOM 726 N ALA A 52 -13.450 -5.373 0.884 1.00 0.00 N ATOM 727 CA ALA A 52 -14.120 -5.647 -0.376 1.00 0.00 C ATOM 728 C ALA A 52 -13.385 -4.924 -1.506 1.00 0.00 C ATOM 729 O ALA A 52 -12.961 -5.549 -2.477 1.00 0.00 O ATOM 730 CB ALA A 52 -15.589 -5.231 -0.276 1.00 0.00 C ATOM 0 H ALA A 52 -13.743 -4.511 1.344 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.099 -6.714 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.091 -5.437 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.073 -5.794 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.651 -4.165 -0.057 1.00 0.00 H new ATOM 736 N LYS A 53 -13.255 -3.614 -1.342 1.00 0.00 N ATOM 737 CA LYS A 53 -12.579 -2.799 -2.337 1.00 0.00 C ATOM 738 C LYS A 53 -11.344 -3.544 -2.846 1.00 0.00 C ATOM 739 O LYS A 53 -11.090 -3.582 -4.049 1.00 0.00 O ATOM 740 CB LYS A 53 -12.271 -1.411 -1.771 1.00 0.00 C ATOM 741 CG LYS A 53 -11.893 -1.494 -0.291 1.00 0.00 C ATOM 742 CD LYS A 53 -10.802 -0.478 0.055 1.00 0.00 C ATOM 743 CE LYS A 53 -11.410 0.821 0.588 1.00 0.00 C ATOM 744 NZ LYS A 53 -10.631 1.988 0.120 1.00 0.00 N ATOM 0 H LYS A 53 -13.606 -3.098 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.227 -2.631 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.455 -0.958 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.140 -0.764 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.774 -1.310 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.545 -2.500 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.129 -0.901 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.203 -0.267 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.444 0.909 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.427 0.801 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.961 2.844 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.623 1.838 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.761 2.104 -0.905 1.00 0.00 H new ATOM 753 N LEU A 54 -10.607 -4.117 -1.905 1.00 0.00 N ATOM 754 CA LEU A 54 -9.405 -4.859 -2.244 1.00 0.00 C ATOM 755 C LEU A 54 -9.721 -6.356 -2.257 1.00 0.00 C ATOM 756 O LEU A 54 -8.966 -7.159 -1.711 1.00 0.00 O ATOM 757 CB LEU A 54 -8.259 -4.481 -1.303 1.00 0.00 C ATOM 758 CG LEU A 54 -8.076 -2.986 -1.036 1.00 0.00 C ATOM 759 CD1 LEU A 54 -8.832 -2.147 -2.070 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.482 -2.630 0.396 1.00 0.00 C ATOM 0 H LEU A 54 -10.820 -4.082 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.065 -4.596 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.418 -4.983 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.330 -4.872 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.017 -2.749 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.685 -1.088 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.455 -2.372 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.895 -2.383 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.342 -1.561 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.530 -2.887 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.864 -3.188 1.099 1.00 0.00 H new ATOM 771 N ARG A 55 -10.838 -6.687 -2.888 1.00 0.00 N ATOM 772 CA ARG A 55 -11.263 -8.073 -2.981 1.00 0.00 C ATOM 773 C ARG A 55 -11.488 -8.463 -4.443 1.00 0.00 C ATOM 774 O ARG A 55 -12.149 -9.461 -4.728 1.00 0.00 O ATOM 775 CB ARG A 55 -12.554 -8.307 -2.192 1.00 0.00 C ATOM 776 CG ARG A 55 -13.779 -7.903 -3.015 1.00 0.00 C ATOM 777 CD ARG A 55 -14.655 -9.118 -3.328 1.00 0.00 C ATOM 778 NE ARG A 55 -15.991 -8.674 -3.783 1.00 0.00 N ATOM 779 CZ ARG A 55 -16.865 -9.462 -4.444 1.00 0.00 C ATOM 780 NH1 ARG A 55 -16.549 -10.742 -4.736 1.00 0.00 N ATOM 781 NH2 ARG A 55 -18.033 -8.962 -4.804 1.00 0.00 N ATOM 0 H ARG A 55 -11.462 -6.019 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.473 -8.692 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.629 -9.358 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.528 -7.733 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.361 -7.162 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.458 -7.433 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.183 -9.728 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.753 -9.744 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.269 -7.713 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.644 -11.120 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.215 -11.331 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.263 -7.994 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.705 -9.544 -5.304 1.00 0.00 H new ATOM 791 N HIS A 56 -10.927 -7.655 -5.331 1.00 0.00 N ATOM 792 CA HIS A 56 -11.059 -7.903 -6.756 1.00 0.00 C ATOM 793 C HIS A 56 -11.082 -9.411 -7.015 1.00 0.00 C ATOM 794 O HIS A 56 -12.087 -10.074 -6.760 1.00 0.00 O ATOM 795 CB HIS A 56 -9.957 -7.185 -7.537 1.00 0.00 C ATOM 796 CG HIS A 56 -10.042 -7.371 -9.033 1.00 0.00 C ATOM 797 ND1 HIS A 56 -8.935 -7.314 -9.860 1.00 0.00 N ATOM 798 CD2 HIS A 56 -11.114 -7.613 -9.841 1.00 0.00 C ATOM 799 CE1 HIS A 56 -9.333 -7.514 -11.107 1.00 0.00 C ATOM 800 NE2 HIS A 56 -10.684 -7.698 -11.093 1.00 0.00 N ATOM 0 H HIS A 56 -10.380 -6.828 -5.091 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.004 -7.493 -7.113 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.001 -6.120 -7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.988 -7.545 -7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.139 -7.718 -9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.699 -7.529 -11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.268 -7.872 -11.911 1.00 0.00 H new ATOM 807 N GLU A 57 -9.962 -9.910 -7.517 1.00 0.00 N ATOM 808 CA GLU A 57 -9.841 -11.328 -7.813 1.00 0.00 C ATOM 809 C GLU A 57 -8.643 -11.924 -7.074 1.00 0.00 C ATOM 810 O GLU A 57 -8.811 -12.688 -6.125 1.00 0.00 O ATOM 811 CB GLU A 57 -9.730 -11.566 -9.320 1.00 0.00 C ATOM 812 CG GLU A 57 -10.211 -12.970 -9.691 1.00 0.00 C ATOM 813 CD GLU A 57 -9.424 -13.522 -10.882 1.00 0.00 C ATOM 814 OE1 GLU A 57 -8.187 -13.448 -10.895 1.00 0.00 O ATOM 815 OE2 GLU A 57 -10.145 -14.047 -11.815 1.00 0.00 O ATOM 0 H GLU A 57 -9.130 -9.358 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.744 -11.830 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.322 -10.822 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.695 -11.437 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.097 -13.635 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.273 -12.942 -9.934 1.00 0.00 H new ATOM 821 N GLN A 58 -7.457 -11.552 -7.536 1.00 0.00 N ATOM 822 CA GLN A 58 -6.231 -12.040 -6.930 1.00 0.00 C ATOM 823 C GLN A 58 -5.569 -10.934 -6.107 1.00 0.00 C ATOM 824 O GLN A 58 -4.873 -10.081 -6.654 1.00 0.00 O ATOM 825 CB GLN A 58 -5.272 -12.582 -7.992 1.00 0.00 C ATOM 826 CG GLN A 58 -5.427 -14.096 -8.150 1.00 0.00 C ATOM 827 CD GLN A 58 -5.211 -14.520 -9.605 1.00 0.00 C ATOM 828 OE1 GLN A 58 -5.446 -13.771 -10.538 1.00 0.00 O ATOM 829 NE2 GLN A 58 -4.755 -15.761 -9.743 1.00 0.00 N ATOM 0 H GLN A 58 -7.320 -10.918 -8.323 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.482 -12.863 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.466 -12.092 -8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.245 -12.345 -7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.710 -14.608 -7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.421 -14.400 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.579 -16.335 -8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.581 -16.140 -10.674 1.00 0.00 H new ATOM 836 N ILE A 59 -5.809 -10.985 -4.805 1.00 0.00 N ATOM 837 CA ILE A 59 -5.244 -9.998 -3.900 1.00 0.00 C ATOM 838 C ILE A 59 -3.841 -10.440 -3.481 1.00 0.00 C ATOM 839 O ILE A 59 -3.435 -11.568 -3.752 1.00 0.00 O ATOM 840 CB ILE A 59 -6.188 -9.748 -2.722 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.739 -10.528 -1.485 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.635 -10.063 -3.104 1.00 0.00 C ATOM 843 CD1 ILE A 59 -4.929 -9.639 -0.541 1.00 0.00 C ATOM 0 H ILE A 59 -6.387 -11.695 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.138 -9.037 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.145 -8.689 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.611 -10.921 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.137 -11.385 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.286 -9.877 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.938 -9.427 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.714 -11.109 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.622 -10.218 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.045 -9.268 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.541 -8.797 -0.219 1.00 0.00 H new ATOM 854 N ILE A 60 -3.139 -9.527 -2.824 1.00 0.00 N ATOM 855 CA ILE A 60 -1.790 -9.809 -2.365 1.00 0.00 C ATOM 856 C ILE A 60 -1.595 -9.209 -0.970 1.00 0.00 C ATOM 857 O ILE A 60 -2.344 -8.323 -0.563 1.00 0.00 O ATOM 858 CB ILE A 60 -0.762 -9.328 -3.390 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.942 -10.050 -4.727 1.00 0.00 C ATOM 860 CG2 ILE A 60 0.661 -9.468 -2.849 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.344 -9.997 -5.556 1.00 0.00 C ATOM 0 H ILE A 60 -3.480 -8.592 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.636 -10.884 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.932 -8.267 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.222 -11.088 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.758 -9.591 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.371 -9.119 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.766 -8.871 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.862 -10.514 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.189 -10.517 -6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.608 -8.958 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.152 -10.478 -5.005 1.00 0.00 H new ATOM 872 N PHE A 61 -0.586 -9.717 -0.279 1.00 0.00 N ATOM 873 CA PHE A 61 -0.283 -9.243 1.061 1.00 0.00 C ATOM 874 C PHE A 61 1.186 -8.832 1.178 1.00 0.00 C ATOM 875 O PHE A 61 1.985 -9.106 0.283 1.00 0.00 O ATOM 876 CB PHE A 61 -0.553 -10.404 2.019 1.00 0.00 C ATOM 877 CG PHE A 61 -2.007 -10.499 2.488 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.696 -9.368 2.797 1.00 0.00 C ATOM 879 CD2 PHE A 61 -2.608 -11.713 2.598 1.00 0.00 C ATOM 880 CE1 PHE A 61 -4.045 -9.454 3.233 1.00 0.00 C ATOM 881 CE2 PHE A 61 -3.957 -11.799 3.033 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.646 -10.669 3.342 1.00 0.00 C ATOM 0 H PHE A 61 0.033 -10.452 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.896 -8.373 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.279 -11.338 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.093 -10.300 2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.217 -8.404 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.060 -12.611 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.593 -8.556 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.436 -12.763 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.671 -10.736 3.674 1.00 0.00 H new ATOM 891 N HIS A 62 1.499 -8.181 2.289 1.00 0.00 N ATOM 892 CA HIS A 62 2.858 -7.730 2.535 1.00 0.00 C ATOM 893 C HIS A 62 2.932 -7.042 3.900 1.00 0.00 C ATOM 894 O HIS A 62 1.903 -6.720 4.492 1.00 0.00 O ATOM 895 CB HIS A 62 3.349 -6.836 1.394 1.00 0.00 C ATOM 896 CG HIS A 62 3.677 -5.424 1.817 1.00 0.00 C ATOM 897 ND1 HIS A 62 4.932 -5.048 2.264 1.00 0.00 N ATOM 898 CD2 HIS A 62 2.902 -4.302 1.858 1.00 0.00 C ATOM 899 CE1 HIS A 62 4.902 -3.756 2.557 1.00 0.00 C ATOM 900 NE2 HIS A 62 3.643 -3.297 2.305 1.00 0.00 N ATOM 0 H HIS A 62 0.834 -7.955 3.029 1.00 0.00 H new ATOM 0 HA HIS A 62 3.530 -8.588 2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.236 -7.286 0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.585 -6.803 0.617 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.862 -4.242 1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.729 -3.170 2.930 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.323 -2.338 2.438 1.00 0.00 H new ATOM 907 N CYS A 63 4.158 -6.838 4.359 1.00 0.00 N ATOM 908 CA CYS A 63 4.379 -6.195 5.643 1.00 0.00 C ATOM 909 C CYS A 63 5.846 -5.769 5.720 1.00 0.00 C ATOM 910 O CYS A 63 6.245 -4.787 5.095 1.00 0.00 O ATOM 911 CB CYS A 63 3.989 -7.108 6.807 1.00 0.00 C ATOM 912 SG CYS A 63 4.409 -6.307 8.398 1.00 0.00 S ATOM 0 H CYS A 63 5.009 -7.107 3.865 1.00 0.00 H new ATOM 0 HA CYS A 63 3.741 -5.315 5.727 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.921 -7.323 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.509 -8.062 6.722 1.00 0.00 H new ATOM 0 HG CYS A 63 5.701 -6.206 8.506 1.00 0.00 H new ATOM 917 N GLN A 64 6.610 -6.528 6.490 1.00 0.00 N ATOM 918 CA GLN A 64 8.025 -6.241 6.657 1.00 0.00 C ATOM 919 C GLN A 64 8.728 -6.229 5.298 1.00 0.00 C ATOM 920 O GLN A 64 8.075 -6.259 4.257 1.00 0.00 O ATOM 921 CB GLN A 64 8.681 -7.248 7.605 1.00 0.00 C ATOM 922 CG GLN A 64 9.545 -6.537 8.648 1.00 0.00 C ATOM 923 CD GLN A 64 8.735 -5.481 9.403 1.00 0.00 C ATOM 924 OE1 GLN A 64 7.515 -5.479 9.401 1.00 0.00 O ATOM 925 NE2 GLN A 64 9.479 -4.587 10.048 1.00 0.00 N ATOM 0 H GLN A 64 6.276 -7.342 7.006 1.00 0.00 H new ATOM 0 HA GLN A 64 8.125 -5.252 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.912 -7.837 8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.294 -7.945 7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.945 -7.266 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.398 -6.066 8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.496 -4.646 10.008 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.032 -3.842 10.583 1.00 0.00 H new ATOM 932 N ALA A 65 10.052 -6.186 5.353 1.00 0.00 N ATOM 933 CA ALA A 65 10.850 -6.169 4.139 1.00 0.00 C ATOM 934 C ALA A 65 11.644 -7.473 4.038 1.00 0.00 C ATOM 935 O ALA A 65 12.856 -7.452 3.833 1.00 0.00 O ATOM 936 CB ALA A 65 11.754 -4.935 4.140 1.00 0.00 C ATOM 0 H ALA A 65 10.591 -6.162 6.219 1.00 0.00 H new ATOM 0 HA ALA A 65 10.210 -6.104 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.353 -4.922 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.141 -4.035 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.413 -4.968 5.007 1.00 0.00 H new ATOM 942 N GLY A 66 10.927 -8.577 4.187 1.00 0.00 N ATOM 943 CA GLY A 66 11.550 -9.888 4.115 1.00 0.00 C ATOM 944 C GLY A 66 10.497 -10.998 4.157 1.00 0.00 C ATOM 945 O GLY A 66 10.134 -11.553 3.120 1.00 0.00 O ATOM 0 H GLY A 66 9.921 -8.591 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.132 -9.968 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.246 -10.010 4.945 1.00 0.00 H new ATOM 949 N LYS A 67 10.037 -11.290 5.364 1.00 0.00 N ATOM 950 CA LYS A 67 9.033 -12.323 5.554 1.00 0.00 C ATOM 951 C LYS A 67 7.796 -11.711 6.214 1.00 0.00 C ATOM 952 O LYS A 67 6.992 -11.059 5.550 1.00 0.00 O ATOM 953 CB LYS A 67 9.621 -13.505 6.326 1.00 0.00 C ATOM 954 CG LYS A 67 10.710 -14.206 5.511 1.00 0.00 C ATOM 955 CD LYS A 67 11.541 -15.139 6.395 1.00 0.00 C ATOM 956 CE LYS A 67 11.340 -16.600 5.991 1.00 0.00 C ATOM 957 NZ LYS A 67 11.594 -16.778 4.543 1.00 0.00 N ATOM 0 H LYS A 67 10.341 -10.829 6.221 1.00 0.00 H new ATOM 0 HA LYS A 67 8.715 -12.726 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.037 -13.156 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.830 -14.215 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.254 -14.776 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.360 -13.462 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.596 -14.878 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.258 -15.004 7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.012 -17.238 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.323 -16.913 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.031 -17.707 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.695 -16.722 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.235 -16.030 4.208 1.00 0.00 H new ATOM 966 N ARG A 68 7.682 -11.944 7.512 1.00 0.00 N ATOM 967 CA ARG A 68 6.555 -11.423 8.270 1.00 0.00 C ATOM 968 C ARG A 68 5.265 -12.141 7.864 1.00 0.00 C ATOM 969 O ARG A 68 4.592 -12.735 8.703 1.00 0.00 O ATOM 970 CB ARG A 68 6.387 -9.920 8.044 1.00 0.00 C ATOM 971 CG ARG A 68 6.377 -9.164 9.373 1.00 0.00 C ATOM 972 CD ARG A 68 7.743 -9.236 10.056 1.00 0.00 C ATOM 973 NE ARG A 68 7.695 -10.191 11.186 1.00 0.00 N ATOM 974 CZ ARG A 68 8.766 -10.538 11.930 1.00 0.00 C ATOM 975 NH1 ARG A 68 9.981 -10.010 11.670 1.00 0.00 N ATOM 976 NH2 ARG A 68 8.608 -11.401 12.916 1.00 0.00 N ATOM 0 H ARG A 68 8.350 -12.486 8.059 1.00 0.00 H new ATOM 0 HA ARG A 68 6.756 -11.599 9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.198 -9.550 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.458 -9.731 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.107 -8.122 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.616 -9.586 10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.502 -9.547 9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.031 -8.248 10.416 1.00 0.00 H new ATOM 0 HE ARG A 68 6.796 -10.613 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.095 -9.343 10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.785 -10.278 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.687 -11.795 13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.407 -11.674 13.488 1.00 0.00 H new ATOM 986 N THR A 69 4.963 -12.061 6.576 1.00 0.00 N ATOM 987 CA THR A 69 3.766 -12.695 6.050 1.00 0.00 C ATOM 988 C THR A 69 3.821 -14.208 6.273 1.00 0.00 C ATOM 989 O THR A 69 3.001 -14.760 7.006 1.00 0.00 O ATOM 990 CB THR A 69 3.634 -12.304 4.576 1.00 0.00 C ATOM 991 OG1 THR A 69 4.975 -12.301 4.096 1.00 0.00 O ATOM 992 CG2 THR A 69 3.169 -10.857 4.394 1.00 0.00 C ATOM 0 H THR A 69 5.525 -11.568 5.883 1.00 0.00 H new ATOM 0 HA THR A 69 2.874 -12.353 6.575 1.00 0.00 H new ATOM 0 HB THR A 69 2.931 -12.976 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.104 -11.542 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.092 -10.631 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.195 -10.726 4.865 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.889 -10.182 4.857 1.00 0.00 H new ATOM 1000 N SER A 70 4.795 -14.834 5.629 1.00 0.00 N ATOM 1001 CA SER A 70 4.967 -16.272 5.749 1.00 0.00 C ATOM 1002 C SER A 70 5.056 -16.667 7.225 1.00 0.00 C ATOM 1003 O SER A 70 4.828 -17.823 7.576 1.00 0.00 O ATOM 1004 CB SER A 70 6.214 -16.741 4.998 1.00 0.00 C ATOM 1005 OG SER A 70 7.403 -16.538 5.757 1.00 0.00 O ATOM 0 H SER A 70 5.473 -14.372 5.023 1.00 0.00 H new ATOM 0 HA SER A 70 4.101 -16.759 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.115 -17.799 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.291 -16.204 4.053 1.00 0.00 H new ATOM 0 HG SER A 70 8.176 -16.852 5.244 1.00 0.00 H new ATOM 1010 N ASN A 71 5.388 -15.684 8.049 1.00 0.00 N ATOM 1011 CA ASN A 71 5.509 -15.915 9.478 1.00 0.00 C ATOM 1012 C ASN A 71 4.150 -16.333 10.041 1.00 0.00 C ATOM 1013 O ASN A 71 4.080 -17.089 11.008 1.00 0.00 O ATOM 1014 CB ASN A 71 5.952 -14.643 10.205 1.00 0.00 C ATOM 1015 CG ASN A 71 7.106 -14.934 11.167 1.00 0.00 C ATOM 1016 OD1 ASN A 71 8.098 -15.551 10.817 1.00 0.00 O ATOM 1017 ND2 ASN A 71 6.921 -14.456 12.394 1.00 0.00 N ATOM 0 H ASN A 71 5.577 -14.726 7.754 1.00 0.00 H new ATOM 0 HA ASN A 71 6.253 -16.696 9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.261 -13.893 9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.111 -14.224 10.757 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.634 -14.597 13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.066 -13.948 12.620 1.00 0.00 H new ATOM 1023 N ASN A 72 3.102 -15.822 9.410 1.00 0.00 N ATOM 1024 CA ASN A 72 1.748 -16.133 9.836 1.00 0.00 C ATOM 1025 C ASN A 72 0.785 -15.902 8.669 1.00 0.00 C ATOM 1026 O ASN A 72 -0.281 -15.316 8.846 1.00 0.00 O ATOM 1027 CB ASN A 72 1.314 -15.231 10.992 1.00 0.00 C ATOM 1028 CG ASN A 72 2.039 -15.609 12.285 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.659 -16.526 12.994 1.00 0.00 O ATOM 1030 ND2 ASN A 72 3.100 -14.853 12.551 1.00 0.00 N ATOM 0 H ASN A 72 3.164 -15.195 8.608 1.00 0.00 H new ATOM 0 HA ASN A 72 1.728 -17.173 10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.524 -14.190 10.744 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.237 -15.313 11.137 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.651 -15.025 13.392 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.363 -14.101 11.914 1.00 0.00 H new ATOM 1036 N ALA A 73 1.198 -16.375 7.502 1.00 0.00 N ATOM 1037 CA ALA A 73 0.386 -16.228 6.306 1.00 0.00 C ATOM 1038 C ALA A 73 -0.718 -17.288 6.311 1.00 0.00 C ATOM 1039 O ALA A 73 -1.578 -17.298 5.431 1.00 0.00 O ATOM 1040 CB ALA A 73 1.279 -16.321 5.067 1.00 0.00 C ATOM 0 H ALA A 73 2.084 -16.860 7.359 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.096 -15.250 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.669 -16.211 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.027 -15.529 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.778 -17.290 5.050 1.00 0.00 H new ATOM 1046 N ASP A 74 -0.658 -18.155 7.311 1.00 0.00 N ATOM 1047 CA ASP A 74 -1.641 -19.217 7.442 1.00 0.00 C ATOM 1048 C ASP A 74 -3.017 -18.602 7.705 1.00 0.00 C ATOM 1049 O ASP A 74 -3.978 -18.895 6.994 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.303 -20.139 8.615 1.00 0.00 C ATOM 1051 CG ASP A 74 -1.254 -21.629 8.271 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -0.690 -22.030 7.242 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -1.835 -22.404 9.124 1.00 0.00 O ATOM 0 H ASP A 74 0.057 -18.144 8.039 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.639 -19.795 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.337 -19.844 9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.042 -19.987 9.402 1.00 0.00 H new ATOM 1058 N LYS A 75 -3.068 -17.761 8.726 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.311 -17.103 9.092 1.00 0.00 C ATOM 1060 C LYS A 75 -4.677 -16.079 8.016 1.00 0.00 C ATOM 1061 O LYS A 75 -5.770 -16.127 7.454 1.00 0.00 O ATOM 1062 CB LYS A 75 -4.208 -16.507 10.499 1.00 0.00 C ATOM 1063 CG LYS A 75 -5.068 -17.293 11.491 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.533 -17.315 11.051 1.00 0.00 C ATOM 1065 CE LYS A 75 -7.122 -18.721 11.173 1.00 0.00 C ATOM 1066 NZ LYS A 75 -7.679 -18.934 12.527 1.00 0.00 N ATOM 0 H LYS A 75 -2.269 -17.519 9.312 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.126 -17.825 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.168 -16.516 10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.528 -15.465 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.694 -18.314 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.989 -16.844 12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.110 -16.621 11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.612 -16.972 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.903 -18.860 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.351 -19.464 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.075 -19.894 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.925 -18.821 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.429 -18.237 12.707 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.741 -15.176 7.761 1.00 0.00 N ATOM 1076 CA LEU A 76 -3.951 -14.142 6.762 1.00 0.00 C ATOM 1077 C LEU A 76 -4.482 -14.780 5.477 1.00 0.00 C ATOM 1078 O LEU A 76 -5.339 -14.210 4.804 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.673 -13.324 6.560 1.00 0.00 C ATOM 1080 CG LEU A 76 -2.207 -12.501 7.763 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.770 -12.013 7.570 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -3.171 -11.347 8.044 1.00 0.00 C ATOM 0 H LEU A 76 -2.835 -15.139 8.229 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.706 -13.433 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.870 -14.005 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.827 -12.647 5.720 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.213 -13.147 8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.464 -11.431 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.107 -12.870 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.714 -11.390 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.817 -10.778 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.221 -10.694 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.163 -11.745 8.256 1.00 0.00 H new ATOM 1093 N ALA A 77 -3.949 -15.956 5.175 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.359 -16.677 3.982 1.00 0.00 C ATOM 1095 C ALA A 77 -5.854 -16.990 4.069 1.00 0.00 C ATOM 1096 O ALA A 77 -6.577 -16.857 3.083 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.507 -17.940 3.832 1.00 0.00 C ATOM 0 H ALA A 77 -3.238 -16.426 5.735 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.201 -16.068 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.814 -18.482 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.457 -17.662 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.643 -18.577 4.706 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.273 -17.400 5.257 1.00 0.00 N ATOM 1104 CA ALA A 78 -7.668 -17.733 5.485 1.00 0.00 C ATOM 1105 C ALA A 78 -8.503 -16.451 5.466 1.00 0.00 C ATOM 1106 O ALA A 78 -9.695 -16.486 5.162 1.00 0.00 O ATOM 1107 CB ALA A 78 -7.803 -18.498 6.804 1.00 0.00 C ATOM 0 H ALA A 78 -5.670 -17.509 6.072 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.042 -18.382 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.850 -18.748 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.215 -19.414 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.440 -17.877 7.623 1.00 0.00 H new ATOM 1113 N ILE A 79 -7.845 -15.349 5.796 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.512 -14.059 5.820 1.00 0.00 C ATOM 1115 C ILE A 79 -8.977 -13.703 4.408 1.00 0.00 C ATOM 1116 O ILE A 79 -10.176 -13.649 4.141 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.607 -13.001 6.455 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -7.996 -12.749 7.913 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.608 -11.712 5.630 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -6.782 -12.315 8.738 1.00 0.00 C ATOM 0 H ILE A 79 -6.857 -15.323 6.049 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.403 -14.102 6.447 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.586 -13.382 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.766 -11.979 7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.425 -13.655 8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.957 -10.977 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.245 -11.924 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.622 -11.316 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.086 -12.142 9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.024 -13.098 8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.370 -11.395 8.323 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.003 -13.468 3.540 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.299 -13.119 2.160 1.00 0.00 C ATOM 1133 C ALA A 80 -8.461 -14.398 1.338 1.00 0.00 C ATOM 1134 O ALA A 80 -7.917 -14.509 0.241 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.193 -12.212 1.616 1.00 0.00 C ATOM 0 H ALA A 80 -7.009 -13.512 3.765 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.236 -12.566 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.414 -11.950 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.138 -11.304 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.238 -12.735 1.662 1.00 0.00 H new ATOM 1141 N ALA A 81 -9.212 -15.334 1.900 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.453 -16.602 1.233 1.00 0.00 C ATOM 1143 C ALA A 81 -10.944 -16.729 0.912 1.00 0.00 C ATOM 1144 O ALA A 81 -11.766 -16.004 1.468 1.00 0.00 O ATOM 1145 CB ALA A 81 -8.945 -17.746 2.112 1.00 0.00 C ATOM 0 H ALA A 81 -9.662 -15.239 2.811 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.908 -16.650 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.126 -18.697 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.876 -17.625 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.471 -17.733 3.067 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.254 -17.683 -0.008 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.219 -18.499 -0.618 1.00 0.00 C ATOM 1153 C PRO A 82 -9.433 -17.700 -1.660 1.00 0.00 C ATOM 1154 O PRO A 82 -8.535 -18.234 -2.309 1.00 0.00 O ATOM 1155 CB PRO A 82 -10.955 -19.688 -1.213 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.411 -19.265 -1.321 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.594 -18.007 -0.488 1.00 0.00 C ATOM 0 HA PRO A 82 -9.468 -18.830 0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.550 -19.948 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.850 -20.569 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.678 -19.076 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.067 -20.059 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.009 -17.194 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.281 -18.177 0.341 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.800 -16.433 -1.788 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.142 -15.555 -2.740 1.00 0.00 C ATOM 1164 C ALA A 83 -7.653 -15.905 -2.805 1.00 0.00 C ATOM 1165 O ALA A 83 -7.055 -16.276 -1.795 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.381 -14.098 -2.341 1.00 0.00 C ATOM 0 H ALA A 83 -10.545 -15.994 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.557 -15.692 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.887 -13.439 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.451 -13.893 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.975 -13.922 -1.345 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.099 -15.775 -4.001 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.692 -16.072 -4.210 1.00 0.00 C ATOM 1174 C GLU A 84 -4.823 -14.938 -3.662 1.00 0.00 C ATOM 1175 O GLU A 84 -4.936 -13.796 -4.104 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.400 -16.322 -5.691 1.00 0.00 C ATOM 1177 CG GLU A 84 -5.815 -17.736 -6.101 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.724 -18.750 -5.754 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -3.535 -18.486 -5.985 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -5.148 -19.848 -5.226 1.00 0.00 O ATOM 0 H GLU A 84 -7.599 -15.468 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.448 -16.985 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.934 -15.592 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.337 -16.181 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.742 -18.007 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.015 -17.764 -7.172 1.00 0.00 H new ATOM 1186 N ILE A 85 -3.975 -15.294 -2.709 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.086 -14.321 -2.096 1.00 0.00 C ATOM 1188 C ILE A 85 -1.653 -14.580 -2.565 1.00 0.00 C ATOM 1189 O ILE A 85 -1.361 -15.633 -3.128 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.247 -14.331 -0.575 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.361 -13.379 -0.134 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -1.920 -14.021 0.119 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.633 -13.604 -0.955 1.00 0.00 C ATOM 0 H ILE A 85 -3.884 -16.243 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.348 -13.312 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.543 -15.335 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.575 -13.530 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.028 -12.347 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.063 -14.034 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.180 -14.772 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.570 -13.036 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.408 -12.915 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.421 -13.428 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.977 -14.630 -0.820 1.00 0.00 H new ATOM 1204 N PHE A 86 -0.797 -13.599 -2.314 1.00 0.00 N ATOM 1205 CA PHE A 86 0.598 -13.708 -2.703 1.00 0.00 C ATOM 1206 C PHE A 86 1.507 -13.009 -1.689 1.00 0.00 C ATOM 1207 O PHE A 86 1.121 -12.003 -1.096 1.00 0.00 O ATOM 1208 CB PHE A 86 0.740 -13.014 -4.060 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.084 -13.658 -5.177 1.00 0.00 C ATOM 1210 CD1 PHE A 86 -1.440 -13.565 -5.161 1.00 0.00 C ATOM 1211 CD2 PHE A 86 0.541 -14.322 -6.185 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -2.205 -14.163 -6.198 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -0.223 -14.920 -7.222 1.00 0.00 C ATOM 1214 CZ PHE A 86 -1.580 -14.828 -7.207 1.00 0.00 C ATOM 0 H PHE A 86 -1.043 -12.726 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 86 0.890 -14.757 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.440 -11.971 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.791 -13.017 -4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.936 -13.037 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.618 -14.395 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.282 -14.090 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.274 -15.448 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.161 -15.283 -7.996 1.00 0.00 H new ATOM 1223 N LEU A 87 2.695 -13.571 -1.521 1.00 0.00 N ATOM 1224 CA LEU A 87 3.660 -13.014 -0.589 1.00 0.00 C ATOM 1225 C LEU A 87 4.764 -12.298 -1.371 1.00 0.00 C ATOM 1226 O LEU A 87 5.711 -12.930 -1.835 1.00 0.00 O ATOM 1227 CB LEU A 87 4.181 -14.099 0.355 1.00 0.00 C ATOM 1228 CG LEU A 87 3.788 -13.954 1.827 1.00 0.00 C ATOM 1229 CD1 LEU A 87 2.267 -14.007 1.996 1.00 0.00 C ATOM 1230 CD2 LEU A 87 4.498 -14.999 2.690 1.00 0.00 C ATOM 0 H LEU A 87 3.011 -14.406 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 87 3.186 -12.269 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.824 -15.065 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.269 -14.117 0.290 1.00 0.00 H new ATOM 0 HG LEU A 87 4.117 -12.974 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.014 -13.902 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.810 -13.195 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.893 -14.962 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.201 -14.874 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.223 -15.998 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.577 -14.871 2.603 1.00 0.00 H new ATOM 1241 N LEU A 88 4.605 -10.988 -1.493 1.00 0.00 N ATOM 1242 CA LEU A 88 5.575 -10.179 -2.210 1.00 0.00 C ATOM 1243 C LEU A 88 6.973 -10.453 -1.652 1.00 0.00 C ATOM 1244 O LEU A 88 7.421 -9.771 -0.730 1.00 0.00 O ATOM 1245 CB LEU A 88 5.175 -8.703 -2.173 1.00 0.00 C ATOM 1246 CG LEU A 88 5.831 -7.804 -3.222 1.00 0.00 C ATOM 1247 CD1 LEU A 88 5.641 -8.374 -4.629 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.317 -6.367 -3.112 1.00 0.00 C ATOM 0 H LEU A 88 3.818 -10.467 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 88 5.594 -10.453 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.094 -8.637 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.412 -8.308 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 88 6.903 -7.778 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.117 -7.716 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.094 -9.364 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.576 -8.449 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.800 -5.749 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.238 -6.354 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.547 -5.973 -2.122 1.00 0.00 H new ATOM 1259 N GLU A 89 7.622 -11.451 -2.231 1.00 0.00 N ATOM 1260 CA GLU A 89 8.961 -11.823 -1.802 1.00 0.00 C ATOM 1261 C GLU A 89 9.747 -10.579 -1.382 1.00 0.00 C ATOM 1262 O GLU A 89 9.683 -9.546 -2.045 1.00 0.00 O ATOM 1263 CB GLU A 89 9.696 -12.591 -2.902 1.00 0.00 C ATOM 1264 CG GLU A 89 11.139 -12.889 -2.492 1.00 0.00 C ATOM 1265 CD GLU A 89 11.238 -14.234 -1.771 1.00 0.00 C ATOM 1266 OE1 GLU A 89 11.076 -14.292 -0.542 1.00 0.00 O ATOM 1267 OE2 GLU A 89 11.492 -15.244 -2.531 1.00 0.00 O ATOM 0 H GLU A 89 7.247 -12.014 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 89 8.875 -12.484 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.173 -13.524 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.689 -12.009 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.777 -12.898 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.507 -12.096 -1.841 1.00 0.00 H new ATOM 1273 N ASP A 90 10.472 -10.722 -0.282 1.00 0.00 N ATOM 1274 CA ASP A 90 11.270 -9.623 0.235 1.00 0.00 C ATOM 1275 C ASP A 90 10.349 -8.462 0.613 1.00 0.00 C ATOM 1276 O ASP A 90 10.781 -7.311 0.658 1.00 0.00 O ATOM 1277 CB ASP A 90 12.259 -9.117 -0.817 1.00 0.00 C ATOM 1278 CG ASP A 90 13.660 -9.727 -0.735 1.00 0.00 C ATOM 1279 OD1 ASP A 90 14.406 -9.484 0.225 1.00 0.00 O ATOM 1280 OD2 ASP A 90 13.981 -10.492 -1.723 1.00 0.00 O ATOM 0 H ASP A 90 10.523 -11.581 0.265 1.00 0.00 H new ATOM 0 HA ASP A 90 11.820 -9.987 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.849 -9.319 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.344 -8.034 -0.722 1.00 0.00 H new ATOM 1285 N GLY A 91 9.097 -8.804 0.877 1.00 0.00 N ATOM 1286 CA GLY A 91 8.110 -7.804 1.250 1.00 0.00 C ATOM 1287 C GLY A 91 8.257 -6.544 0.396 1.00 0.00 C ATOM 1288 O GLY A 91 8.017 -6.575 -0.809 1.00 0.00 O ATOM 0 H GLY A 91 8.743 -9.760 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.108 -8.215 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.225 -7.549 2.303 1.00 0.00 H new ATOM 1292 N ILE A 92 8.650 -5.464 1.055 1.00 0.00 N ATOM 1293 CA ILE A 92 8.832 -4.195 0.372 1.00 0.00 C ATOM 1294 C ILE A 92 10.206 -4.175 -0.301 1.00 0.00 C ATOM 1295 O ILE A 92 10.371 -3.578 -1.364 1.00 0.00 O ATOM 1296 CB ILE A 92 8.602 -3.029 1.336 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.536 -2.072 0.796 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.915 -2.308 1.646 1.00 0.00 C ATOM 1299 CD1 ILE A 92 8.009 -1.396 -0.493 1.00 0.00 C ATOM 0 H ILE A 92 8.848 -5.442 2.055 1.00 0.00 H new ATOM 0 HA ILE A 92 8.089 -4.077 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 92 8.226 -3.432 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.613 -2.620 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.309 -1.314 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.724 -1.484 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.615 -3.007 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.343 -1.919 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.233 -0.721 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.919 -0.829 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.212 -2.155 -1.248 1.00 0.00 H new ATOM 1310 N ASP A 93 11.155 -4.836 0.345 1.00 0.00 N ATOM 1311 CA ASP A 93 12.509 -4.901 -0.178 1.00 0.00 C ATOM 1312 C ASP A 93 12.478 -5.495 -1.588 1.00 0.00 C ATOM 1313 O ASP A 93 13.385 -5.260 -2.385 1.00 0.00 O ATOM 1314 CB ASP A 93 13.393 -5.795 0.693 1.00 0.00 C ATOM 1315 CG ASP A 93 14.856 -5.882 0.255 1.00 0.00 C ATOM 1316 OD1 ASP A 93 15.311 -6.918 -0.253 1.00 0.00 O ATOM 1317 OD2 ASP A 93 15.550 -4.814 0.456 1.00 0.00 O ATOM 0 H ASP A 93 11.013 -5.331 1.225 1.00 0.00 H new ATOM 0 HA ASP A 93 12.917 -3.890 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.358 -5.427 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.971 -6.800 0.701 1.00 0.00 H new ATOM 1322 N GLY A 94 11.425 -6.255 -1.853 1.00 0.00 N ATOM 1323 CA GLY A 94 11.266 -6.886 -3.152 1.00 0.00 C ATOM 1324 C GLY A 94 10.803 -5.872 -4.199 1.00 0.00 C ATOM 1325 O GLY A 94 11.277 -5.886 -5.334 1.00 0.00 O ATOM 0 H GLY A 94 10.674 -6.448 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.212 -7.330 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.541 -7.697 -3.080 1.00 0.00 H new ATOM 1329 N TRP A 95 9.881 -5.016 -3.781 1.00 0.00 N ATOM 1330 CA TRP A 95 9.348 -3.997 -4.670 1.00 0.00 C ATOM 1331 C TRP A 95 10.522 -3.165 -5.193 1.00 0.00 C ATOM 1332 O TRP A 95 10.536 -2.768 -6.357 1.00 0.00 O ATOM 1333 CB TRP A 95 8.286 -3.154 -3.963 1.00 0.00 C ATOM 1334 CG TRP A 95 7.884 -1.891 -4.727 1.00 0.00 C ATOM 1335 CD1 TRP A 95 7.973 -0.617 -4.320 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.323 -1.831 -6.055 1.00 0.00 C ATOM 1337 NE1 TRP A 95 7.512 0.255 -5.284 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.104 -0.506 -6.373 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.011 -2.862 -6.958 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.564 -0.090 -7.597 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.471 -2.430 -8.176 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.245 -1.101 -8.511 1.00 0.00 C ATOM 0 H TRP A 95 9.490 -5.007 -2.839 1.00 0.00 H new ATOM 0 HA TRP A 95 8.839 -4.453 -5.519 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.399 -3.766 -3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.659 -2.868 -2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.357 -0.312 -3.358 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.477 1.272 -5.211 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.175 -3.905 -6.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.403 0.954 -7.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.212 -3.183 -8.906 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.825 -0.849 -9.473 1.00 0.00 H new ATOM 1352 N LYS A 96 11.477 -2.926 -4.306 1.00 0.00 N ATOM 1353 CA LYS A 96 12.652 -2.149 -4.663 1.00 0.00 C ATOM 1354 C LYS A 96 13.650 -3.048 -5.393 1.00 0.00 C ATOM 1355 O LYS A 96 14.438 -2.572 -6.211 1.00 0.00 O ATOM 1356 CB LYS A 96 13.234 -1.461 -3.427 1.00 0.00 C ATOM 1357 CG LYS A 96 14.657 -0.964 -3.695 1.00 0.00 C ATOM 1358 CD LYS A 96 14.944 0.323 -2.919 1.00 0.00 C ATOM 1359 CE LYS A 96 16.083 0.118 -1.919 1.00 0.00 C ATOM 1360 NZ LYS A 96 17.373 -0.036 -2.629 1.00 0.00 N ATOM 0 H LYS A 96 11.461 -3.257 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 96 12.384 -1.346 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.600 -0.622 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.240 -2.157 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.374 -1.733 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.789 -0.786 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.205 1.121 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.045 0.642 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.135 0.968 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.887 -0.766 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.150 -0.055 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.368 -0.925 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.509 0.764 -3.280 1.00 0.00 H new ATOM 1369 N LYS A 97 13.586 -4.332 -5.074 1.00 0.00 N ATOM 1370 CA LYS A 97 14.475 -5.302 -5.690 1.00 0.00 C ATOM 1371 C LYS A 97 14.527 -5.055 -7.199 1.00 0.00 C ATOM 1372 O LYS A 97 15.605 -5.000 -7.787 1.00 0.00 O ATOM 1373 CB LYS A 97 14.057 -6.726 -5.315 1.00 0.00 C ATOM 1374 CG LYS A 97 15.107 -7.742 -5.767 1.00 0.00 C ATOM 1375 CD LYS A 97 15.883 -8.298 -4.572 1.00 0.00 C ATOM 1376 CE LYS A 97 17.346 -8.557 -4.939 1.00 0.00 C ATOM 1377 NZ LYS A 97 18.212 -7.479 -4.412 1.00 0.00 N ATOM 0 H LYS A 97 12.932 -4.723 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 97 15.490 -5.181 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.919 -6.796 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.097 -6.960 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.621 -8.559 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.798 -7.270 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.832 -7.594 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.420 -9.225 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.664 -9.518 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.450 -8.618 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.201 -7.671 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.918 -6.568 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.126 -7.440 -3.376 1.00 0.00 H new ATOM 1386 N ALA A 98 13.346 -4.910 -7.783 1.00 0.00 N ATOM 1387 CA ALA A 98 13.242 -4.668 -9.213 1.00 0.00 C ATOM 1388 C ALA A 98 13.684 -3.235 -9.517 1.00 0.00 C ATOM 1389 O ALA A 98 14.230 -2.964 -10.585 1.00 0.00 O ATOM 1390 CB ALA A 98 11.812 -4.948 -9.676 1.00 0.00 C ATOM 0 H ALA A 98 12.453 -4.955 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 98 13.900 -5.340 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.735 -4.766 -10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.558 -5.987 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.123 -4.291 -9.146 1.00 0.00 H new ATOM 1396 N GLY A 99 13.431 -2.356 -8.558 1.00 0.00 N ATOM 1397 CA GLY A 99 13.796 -0.958 -8.711 1.00 0.00 C ATOM 1398 C GLY A 99 12.557 -0.090 -8.939 1.00 0.00 C ATOM 1399 O GLY A 99 12.650 0.988 -9.523 1.00 0.00 O ATOM 0 H GLY A 99 12.978 -2.585 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.325 -0.617 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.482 -0.847 -9.551 1.00 0.00 H new ATOM 1403 N LEU A 100 11.426 -0.593 -8.469 1.00 0.00 N ATOM 1404 CA LEU A 100 10.170 0.122 -8.615 1.00 0.00 C ATOM 1405 C LEU A 100 9.987 1.071 -7.429 1.00 0.00 C ATOM 1406 O LEU A 100 10.001 0.640 -6.277 1.00 0.00 O ATOM 1407 CB LEU A 100 9.011 -0.860 -8.801 1.00 0.00 C ATOM 1408 CG LEU A 100 9.311 -2.096 -9.651 1.00 0.00 C ATOM 1409 CD1 LEU A 100 10.382 -1.795 -10.701 1.00 0.00 C ATOM 1410 CD2 LEU A 100 9.692 -3.288 -8.770 1.00 0.00 C ATOM 0 H LEU A 100 11.353 -1.488 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 100 10.185 0.735 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.680 -1.192 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.177 -0.325 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 100 8.402 -2.369 -10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.575 -2.691 -11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.034 -0.997 -11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.301 -1.482 -10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.900 -4.153 -9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.579 -3.041 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.868 -3.520 -8.095 1.00 0.00 H new ATOM 1421 N PRO A 101 9.814 2.379 -7.760 1.00 0.00 N ATOM 1422 CA PRO A 101 9.629 3.393 -6.736 1.00 0.00 C ATOM 1423 C PRO A 101 8.221 3.322 -6.143 1.00 0.00 C ATOM 1424 O PRO A 101 7.251 3.093 -6.864 1.00 0.00 O ATOM 1425 CB PRO A 101 9.915 4.714 -7.432 1.00 0.00 C ATOM 1426 CG PRO A 101 9.794 4.433 -8.921 1.00 0.00 C ATOM 1427 CD PRO A 101 9.792 2.926 -9.114 1.00 0.00 C ATOM 0 HA PRO A 101 10.295 3.256 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.207 5.482 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.911 5.080 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.878 4.870 -9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.624 4.886 -9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.907 2.598 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.659 2.599 -9.687 1.00 0.00 H new ATOM 1432 N VAL A 102 8.152 3.522 -4.835 1.00 0.00 N ATOM 1433 CA VAL A 102 6.879 3.483 -4.137 1.00 0.00 C ATOM 1434 C VAL A 102 6.158 4.820 -4.327 1.00 0.00 C ATOM 1435 O VAL A 102 6.699 5.740 -4.938 1.00 0.00 O ATOM 1436 CB VAL A 102 7.099 3.128 -2.666 1.00 0.00 C ATOM 1437 CG1 VAL A 102 7.884 1.821 -2.529 1.00 0.00 C ATOM 1438 CG2 VAL A 102 7.799 4.267 -1.924 1.00 0.00 C ATOM 0 H VAL A 102 8.958 3.712 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 102 6.239 2.705 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 102 6.121 2.982 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.027 1.591 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.330 1.012 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 102 8.855 1.928 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.943 3.987 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.768 4.460 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.186 5.167 -1.977 1.00 0.00 H new ATOM 1448 N ALA A 103 4.947 4.883 -3.792 1.00 0.00 N ATOM 1449 CA ALA A 103 4.145 6.091 -3.896 1.00 0.00 C ATOM 1450 C ALA A 103 4.628 7.108 -2.859 1.00 0.00 C ATOM 1451 O ALA A 103 3.850 7.564 -2.024 1.00 0.00 O ATOM 1452 CB ALA A 103 2.667 5.739 -3.723 1.00 0.00 C ATOM 0 H ALA A 103 4.502 4.118 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 103 4.258 6.544 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.066 6.645 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.367 5.036 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.513 5.285 -2.744 1.00 0.00 H new ATOM 1458 N VAL A 104 5.910 7.433 -2.947 1.00 0.00 N ATOM 1459 CA VAL A 104 6.505 8.387 -2.028 1.00 0.00 C ATOM 1460 C VAL A 104 6.167 9.808 -2.483 1.00 0.00 C ATOM 1461 O VAL A 104 6.945 10.434 -3.201 1.00 0.00 O ATOM 1462 CB VAL A 104 8.010 8.136 -1.916 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.303 6.965 -0.976 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.631 7.903 -3.294 1.00 0.00 C ATOM 0 H VAL A 104 6.553 7.052 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 104 6.093 8.261 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 104 8.467 9.029 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.380 6.808 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.912 7.188 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.826 6.063 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.701 7.727 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.166 7.035 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.469 8.781 -3.919 1.00 0.00 H new ATOM 1474 N ASN A 105 5.006 10.274 -2.048 1.00 0.00 N ATOM 1475 CA ASN A 105 4.556 11.609 -2.403 1.00 0.00 C ATOM 1476 C ASN A 105 5.651 12.620 -2.060 1.00 0.00 C ATOM 1477 O ASN A 105 6.198 13.273 -2.947 1.00 0.00 O ATOM 1478 CB ASN A 105 3.297 11.992 -1.622 1.00 0.00 C ATOM 1479 CG ASN A 105 2.714 13.310 -2.134 1.00 0.00 C ATOM 1480 OD1 ASN A 105 3.119 13.844 -3.153 1.00 0.00 O ATOM 1481 ND2 ASN A 105 1.740 13.802 -1.374 1.00 0.00 N ATOM 0 H ASN A 105 4.363 9.751 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 105 4.335 11.617 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 105 2.553 11.201 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 105 3.536 12.083 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 105 1.284 14.677 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 105 1.449 13.304 -0.533 1.00 0.00 H new ATOM 1487 N LYS A 106 5.940 12.718 -0.771 1.00 0.00 N ATOM 1488 CA LYS A 106 6.960 13.638 -0.299 1.00 0.00 C ATOM 1489 C LYS A 106 7.156 13.448 1.206 1.00 0.00 C ATOM 1490 O LYS A 106 8.200 12.967 1.644 1.00 0.00 O ATOM 1491 CB LYS A 106 6.611 15.074 -0.697 1.00 0.00 C ATOM 1492 CG LYS A 106 7.858 15.960 -0.701 1.00 0.00 C ATOM 1493 CD LYS A 106 7.690 17.142 -1.658 1.00 0.00 C ATOM 1494 CE LYS A 106 9.015 17.490 -2.338 1.00 0.00 C ATOM 1495 NZ LYS A 106 10.011 17.933 -1.337 1.00 0.00 N ATOM 0 H LYS A 106 5.485 12.174 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 106 7.917 13.423 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.153 15.080 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.875 15.479 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.050 16.328 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.726 15.370 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.942 16.899 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.320 18.008 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.393 16.621 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.856 18.277 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.863 18.277 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.607 18.700 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.263 17.134 -0.721 1.00 0.00 H new ATOM 1504 N SER A 107 6.136 13.836 1.958 1.00 0.00 N ATOM 1505 CA SER A 107 6.183 13.713 3.404 1.00 0.00 C ATOM 1506 C SER A 107 7.400 14.461 3.953 1.00 0.00 C ATOM 1507 O SER A 107 8.433 13.853 4.231 1.00 0.00 O ATOM 1508 CB SER A 107 6.224 12.245 3.833 1.00 0.00 C ATOM 1509 OG SER A 107 5.232 11.467 3.168 1.00 0.00 O ATOM 0 H SER A 107 5.272 14.236 1.592 1.00 0.00 H new ATOM 0 HA SER A 107 5.276 14.157 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.210 11.833 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.075 12.178 4.911 1.00 0.00 H new ATOM 0 HG SER A 107 5.666 10.756 2.652 1.00 0.00 H new ATOM 1514 N GLN A 108 7.238 15.768 4.093 1.00 0.00 N ATOM 1515 CA GLN A 108 8.311 16.605 4.604 1.00 0.00 C ATOM 1516 C GLN A 108 7.751 17.665 5.555 1.00 0.00 C ATOM 1517 O GLN A 108 7.804 17.502 6.772 1.00 0.00 O ATOM 1518 CB GLN A 108 9.093 17.252 3.460 1.00 0.00 C ATOM 1519 CG GLN A 108 10.425 17.818 3.957 1.00 0.00 C ATOM 1520 CD GLN A 108 11.491 17.752 2.861 1.00 0.00 C ATOM 1521 OE1 GLN A 108 11.215 17.479 1.705 1.00 0.00 O ATOM 1522 NE2 GLN A 108 12.722 18.017 3.288 1.00 0.00 N ATOM 0 H GLN A 108 6.380 16.269 3.862 1.00 0.00 H new ATOM 0 HA GLN A 108 9.003 15.975 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.276 16.515 2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.499 18.050 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.289 18.852 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.760 17.257 4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.884 18.239 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.504 17.999 2.633 1.00 0.00 H new TER 1529 GLN A 108