USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 852 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 79 ASN : amide:sc= -0.939 K(o=-2.5,f=-3.6!) USER MOD Set 1.2: A 97 MET CE :methyl -138:sc= 0 (180deg=-0.0018) USER MOD Set 1.3: A 98 HIS : no HD1:sc= -1.53 K(o=-2.5,f=-4.1) USER MOD Set 2.1: A 66 HIS : no HE2:sc= -1.01 K(o=-1.6,f=-2.8) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.552 X(o=-1.6,f=-1.7) USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0153 (180deg=-0.223) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.117 (180deg=-0.359) USER MOD Single : A 5 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.4!) USER MOD Single : A 10 GLN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.0259 (180deg=-0.3) USER MOD Single : A 19 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.2) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 31 ASN : amide:sc= -0.337 K(o=-0.34,f=-4.5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 38 CYS SG : rot -66:sc= 0.333 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-3.4!) USER MOD Single : A 46 GLN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -160:sc= -0.0535 USER MOD Single : A 55 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.036) USER MOD Single : A 57 HIS : no HE2:sc= 0.378 K(o=0.38,f=-1.4) USER MOD Single : A 58 CYS SG : rot 98:sc= -1.54 USER MOD Single : A 85 HIS : no HE2:sc= -0.171 K(o=-0.17,f=-1.3) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.479 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -2.44! C(o=-3.4!,f=-2.4!) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -9:sc= 1.13 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0.887 (180deg=0.887) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 1 K(o=1,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.290 -12.699 9.888 1.00 0.00 N ATOM 2 CA MET A 1 -23.265 -11.609 9.724 1.00 0.00 C ATOM 3 C MET A 1 -22.960 -10.493 10.709 1.00 0.00 C ATOM 4 O MET A 1 -22.592 -10.785 11.846 1.00 0.00 O ATOM 5 CB MET A 1 -24.707 -12.100 9.851 1.00 0.00 C ATOM 6 CG MET A 1 -25.049 -12.744 11.197 1.00 0.00 C ATOM 7 SD MET A 1 -26.191 -14.139 11.057 1.00 0.00 S ATOM 8 CE MET A 1 -25.038 -15.344 10.341 1.00 0.00 C ATOM 0 H1 MET A 1 -22.632 -13.548 9.393 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.375 -12.409 9.487 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.174 -12.911 10.899 1.00 0.00 H new ATOM 0 HA MET A 1 -23.169 -11.216 8.712 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.379 -11.258 9.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.901 -12.823 9.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.129 -13.084 11.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.487 -11.990 11.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.418 -15.682 9.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.063 -14.877 10.204 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.940 -16.197 11.012 1.00 0.00 H new ATOM 18 N GLY A 2 -23.091 -9.226 10.302 1.00 0.00 N ATOM 19 CA GLY A 2 -22.618 -8.110 11.115 1.00 0.00 C ATOM 20 C GLY A 2 -21.122 -7.910 10.910 1.00 0.00 C ATOM 21 O GLY A 2 -20.371 -7.781 11.881 1.00 0.00 O ATOM 0 H GLY A 2 -23.519 -8.952 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.155 -7.200 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.826 -8.303 12.167 1.00 0.00 H new ATOM 25 N ALA A 3 -20.686 -7.923 9.648 1.00 0.00 N ATOM 26 CA ALA A 3 -19.303 -7.743 9.231 1.00 0.00 C ATOM 27 C ALA A 3 -19.267 -7.142 7.828 1.00 0.00 C ATOM 28 O ALA A 3 -20.276 -7.183 7.119 1.00 0.00 O ATOM 29 CB ALA A 3 -18.574 -9.084 9.266 1.00 0.00 C ATOM 0 H ALA A 3 -21.318 -8.066 8.860 1.00 0.00 H new ATOM 0 HA ALA A 3 -18.799 -7.060 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.539 -8.944 8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -18.596 -9.483 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.066 -9.783 8.590 1.00 0.00 H new ATOM 35 N GLY A 4 -18.105 -6.625 7.424 1.00 0.00 N ATOM 36 CA GLY A 4 -17.878 -5.949 6.155 1.00 0.00 C ATOM 37 C GLY A 4 -16.724 -6.599 5.403 1.00 0.00 C ATOM 38 O GLY A 4 -16.497 -7.803 5.537 1.00 0.00 O ATOM 0 H GLY A 4 -17.264 -6.670 8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.783 -5.988 5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.658 -4.896 6.331 1.00 0.00 H new ATOM 42 N GLN A 5 -16.008 -5.820 4.592 1.00 0.00 N ATOM 43 CA GLN A 5 -14.875 -6.264 3.794 1.00 0.00 C ATOM 44 C GLN A 5 -13.855 -5.134 3.863 1.00 0.00 C ATOM 45 O GLN A 5 -14.056 -4.069 3.275 1.00 0.00 O ATOM 46 CB GLN A 5 -15.260 -6.572 2.334 1.00 0.00 C ATOM 47 CG GLN A 5 -16.438 -7.544 2.171 1.00 0.00 C ATOM 48 CD GLN A 5 -16.664 -7.986 0.724 1.00 0.00 C ATOM 49 OE1 GLN A 5 -16.860 -9.173 0.462 1.00 0.00 O ATOM 50 NE2 GLN A 5 -16.666 -7.062 -0.224 1.00 0.00 N ATOM 0 H GLN A 5 -16.212 -4.828 4.471 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.478 -7.201 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.507 -5.636 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.391 -6.987 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.261 -8.424 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.346 -7.070 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.501 -6.084 0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.832 -7.328 -1.195 1.00 0.00 H new ATOM 59 N THR A 6 -12.814 -5.336 4.656 1.00 0.00 N ATOM 60 CA THR A 6 -11.644 -4.470 4.747 1.00 0.00 C ATOM 61 C THR A 6 -10.393 -5.362 4.742 1.00 0.00 C ATOM 62 O THR A 6 -10.478 -6.511 5.206 1.00 0.00 O ATOM 63 CB THR A 6 -11.766 -3.585 6.004 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.015 -4.357 7.167 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.946 -2.618 5.853 1.00 0.00 C ATOM 0 H THR A 6 -12.757 -6.141 5.280 1.00 0.00 H new ATOM 0 HA THR A 6 -11.568 -3.790 3.898 1.00 0.00 H new ATOM 0 HB THR A 6 -10.820 -3.053 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.085 -3.764 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.024 -1.997 6.746 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.787 -1.983 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.867 -3.186 5.724 1.00 0.00 H new ATOM 73 N PRO A 7 -9.244 -4.914 4.198 1.00 0.00 N ATOM 74 CA PRO A 7 -8.047 -5.733 4.114 1.00 0.00 C ATOM 75 C PRO A 7 -7.350 -5.786 5.480 1.00 0.00 C ATOM 76 O PRO A 7 -6.326 -5.139 5.693 1.00 0.00 O ATOM 77 CB PRO A 7 -7.191 -5.081 3.037 1.00 0.00 C ATOM 78 CG PRO A 7 -7.494 -3.598 3.224 1.00 0.00 C ATOM 79 CD PRO A 7 -8.981 -3.621 3.580 1.00 0.00 C ATOM 0 HA PRO A 7 -8.256 -6.771 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.132 -5.299 3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.461 -5.427 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.891 -3.155 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.300 -3.024 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.228 -2.808 4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.594 -3.486 2.689 1.00 0.00 H new ATOM 87 N HIS A 8 -7.918 -6.581 6.385 1.00 0.00 N ATOM 88 CA HIS A 8 -7.505 -6.812 7.762 1.00 0.00 C ATOM 89 C HIS A 8 -7.864 -5.626 8.681 1.00 0.00 C ATOM 90 O HIS A 8 -7.767 -4.474 8.263 1.00 0.00 O ATOM 91 CB HIS A 8 -5.996 -7.124 7.808 1.00 0.00 C ATOM 92 CG HIS A 8 -5.639 -8.106 8.873 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.760 -7.886 9.901 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.126 -9.376 8.989 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.763 -8.978 10.678 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.556 -9.917 10.141 1.00 0.00 N ATOM 0 H HIS A 8 -8.749 -7.124 6.151 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.054 -7.673 8.142 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.681 -7.514 6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.444 -6.199 7.974 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.817 -9.866 8.320 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.209 -9.086 11.599 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.713 -10.855 10.508 1.00 0.00 H new ATOM 104 N PRO A 9 -8.237 -5.863 9.953 1.00 0.00 N ATOM 105 CA PRO A 9 -8.482 -4.792 10.918 1.00 0.00 C ATOM 106 C PRO A 9 -7.192 -4.275 11.576 1.00 0.00 C ATOM 107 O PRO A 9 -7.157 -3.132 12.027 1.00 0.00 O ATOM 108 CB PRO A 9 -9.421 -5.409 11.959 1.00 0.00 C ATOM 109 CG PRO A 9 -9.014 -6.882 11.959 1.00 0.00 C ATOM 110 CD PRO A 9 -8.652 -7.145 10.502 1.00 0.00 C ATOM 0 HA PRO A 9 -8.912 -3.918 10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.290 -4.954 12.941 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.468 -5.280 11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.169 -7.066 12.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.828 -7.525 12.294 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.850 -7.880 10.426 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.505 -7.546 9.954 1.00 0.00 H new ATOM 118 N GLN A 10 -6.130 -5.091 11.665 1.00 0.00 N ATOM 119 CA GLN A 10 -4.846 -4.636 12.208 1.00 0.00 C ATOM 120 C GLN A 10 -4.094 -3.737 11.220 1.00 0.00 C ATOM 121 O GLN A 10 -3.175 -3.038 11.647 1.00 0.00 O ATOM 122 CB GLN A 10 -3.942 -5.820 12.586 1.00 0.00 C ATOM 123 CG GLN A 10 -4.284 -6.499 13.918 1.00 0.00 C ATOM 124 CD GLN A 10 -3.758 -5.693 15.102 1.00 0.00 C ATOM 125 OE1 GLN A 10 -4.526 -5.211 15.929 1.00 0.00 O ATOM 126 NE2 GLN A 10 -2.451 -5.535 15.216 1.00 0.00 N ATOM 0 H GLN A 10 -6.138 -6.067 11.368 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.083 -4.061 13.103 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.994 -6.565 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.910 -5.471 12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.365 -6.612 14.004 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.856 -7.501 13.938 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.826 -5.942 14.520 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.068 -5.006 16.000 1.00 0.00 H new ATOM 135 N LEU A 11 -4.449 -3.763 9.928 1.00 0.00 N ATOM 136 CA LEU A 11 -3.995 -2.774 8.961 1.00 0.00 C ATOM 137 C LEU A 11 -4.521 -1.419 9.422 1.00 0.00 C ATOM 138 O LEU A 11 -5.734 -1.233 9.475 1.00 0.00 O ATOM 139 CB LEU A 11 -4.517 -3.156 7.564 1.00 0.00 C ATOM 140 CG LEU A 11 -4.255 -2.099 6.466 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.729 -2.773 5.195 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.507 -1.281 6.129 1.00 0.00 C ATOM 0 H LEU A 11 -5.061 -4.476 9.531 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.908 -2.732 8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.054 -4.096 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.590 -3.335 7.628 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.507 -1.412 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.549 -2.017 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.797 -3.293 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.466 -3.489 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.268 -0.554 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.292 -1.948 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.852 -0.759 7.022 1.00 0.00 H new ATOM 154 N ILE A 12 -3.645 -0.489 9.787 1.00 0.00 N ATOM 155 CA ILE A 12 -4.012 0.879 10.136 1.00 0.00 C ATOM 156 C ILE A 12 -3.764 1.726 8.901 1.00 0.00 C ATOM 157 O ILE A 12 -2.622 1.844 8.466 1.00 0.00 O ATOM 158 CB ILE A 12 -3.197 1.359 11.358 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.456 0.490 12.606 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.474 2.835 11.694 1.00 0.00 C ATOM 161 CD1 ILE A 12 -4.936 0.235 12.916 1.00 0.00 C ATOM 0 H ILE A 12 -2.643 -0.668 9.850 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.060 0.956 10.427 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.149 1.257 11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.956 -0.470 12.473 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.996 0.972 13.469 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.880 3.129 12.559 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.206 3.459 10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.532 2.964 11.920 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.019 -0.384 13.809 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.441 1.186 13.085 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.401 -0.278 12.074 1.00 0.00 H new ATOM 173 N TRP A 13 -4.816 2.309 8.328 1.00 0.00 N ATOM 174 CA TRP A 13 -4.669 3.209 7.195 1.00 0.00 C ATOM 175 C TRP A 13 -3.842 4.441 7.595 1.00 0.00 C ATOM 176 O TRP A 13 -3.882 4.851 8.764 1.00 0.00 O ATOM 177 CB TRP A 13 -6.042 3.626 6.667 1.00 0.00 C ATOM 178 CG TRP A 13 -6.937 2.521 6.215 1.00 0.00 C ATOM 179 CD1 TRP A 13 -7.950 1.991 6.934 1.00 0.00 C ATOM 180 CD2 TRP A 13 -6.932 1.810 4.944 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.533 0.966 6.224 1.00 0.00 N ATOM 182 CE2 TRP A 13 -7.940 0.806 4.995 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.195 1.915 3.746 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.180 -0.071 3.933 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.415 1.022 2.681 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.383 0.012 2.785 1.00 0.00 C ATOM 0 H TRP A 13 -5.779 2.171 8.634 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.140 2.686 6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.555 4.184 7.450 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -5.894 4.311 5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.256 2.321 7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.307 0.397 6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.451 2.692 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -8.971 -0.804 3.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -5.834 1.115 1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.513 -0.699 1.982 1.00 0.00 H new ATOM 197 N PRO A 14 -3.165 5.093 6.633 1.00 0.00 N ATOM 198 CA PRO A 14 -3.124 4.729 5.222 1.00 0.00 C ATOM 199 C PRO A 14 -2.411 3.408 4.925 1.00 0.00 C ATOM 200 O PRO A 14 -1.705 2.871 5.777 1.00 0.00 O ATOM 201 CB PRO A 14 -2.372 5.853 4.538 1.00 0.00 C ATOM 202 CG PRO A 14 -1.598 6.584 5.620 1.00 0.00 C ATOM 203 CD PRO A 14 -2.434 6.322 6.863 1.00 0.00 C ATOM 0 HA PRO A 14 -4.146 4.589 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.697 5.460 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.062 6.529 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.584 6.197 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.512 7.649 5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.798 6.233 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.119 7.149 7.048 1.00 0.00 H new ATOM 211 N ALA A 15 -2.593 2.908 3.700 1.00 0.00 N ATOM 212 CA ALA A 15 -1.939 1.699 3.222 1.00 0.00 C ATOM 213 C ALA A 15 -1.319 1.928 1.842 1.00 0.00 C ATOM 214 O ALA A 15 -1.553 2.967 1.213 1.00 0.00 O ATOM 215 CB ALA A 15 -2.959 0.559 3.193 1.00 0.00 C ATOM 0 H ALA A 15 -3.206 3.340 3.009 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.127 1.430 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.477 -0.351 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.348 0.393 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.779 0.822 2.525 1.00 0.00 H new ATOM 221 N LEU A 16 -0.487 0.977 1.412 1.00 0.00 N ATOM 222 CA LEU A 16 0.287 1.007 0.175 1.00 0.00 C ATOM 223 C LEU A 16 0.241 -0.384 -0.450 1.00 0.00 C ATOM 224 O LEU A 16 1.014 -1.280 -0.083 1.00 0.00 O ATOM 225 CB LEU A 16 1.736 1.470 0.439 1.00 0.00 C ATOM 226 CG LEU A 16 1.898 3.003 0.392 1.00 0.00 C ATOM 227 CD1 LEU A 16 3.211 3.429 1.062 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.863 3.564 -1.034 1.00 0.00 C ATOM 0 H LEU A 16 -0.329 0.123 1.946 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.144 1.728 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.055 1.106 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.396 1.018 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 16 1.046 3.413 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.306 4.514 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.210 3.106 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.051 2.970 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.982 4.647 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.674 3.127 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.908 3.317 -1.499 1.00 0.00 H new ATOM 240 N LEU A 17 -0.702 -0.581 -1.373 1.00 0.00 N ATOM 241 CA LEU A 17 -0.752 -1.792 -2.189 1.00 0.00 C ATOM 242 C LEU A 17 0.361 -1.697 -3.232 1.00 0.00 C ATOM 243 O LEU A 17 0.601 -0.605 -3.764 1.00 0.00 O ATOM 244 CB LEU A 17 -2.133 -1.907 -2.859 1.00 0.00 C ATOM 245 CG LEU A 17 -2.399 -3.229 -3.606 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.691 -4.362 -2.622 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.607 -3.062 -4.532 1.00 0.00 C ATOM 0 H LEU A 17 -1.445 0.088 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.605 -2.683 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.900 -1.781 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.246 -1.083 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.509 -3.478 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.875 -5.284 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.835 -4.499 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.571 -4.111 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.793 -3.998 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.484 -2.797 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.405 -2.272 -5.255 1.00 0.00 H new ATOM 259 N LYS A 18 1.031 -2.805 -3.554 1.00 0.00 N ATOM 260 CA LYS A 18 2.031 -2.834 -4.622 1.00 0.00 C ATOM 261 C LYS A 18 1.930 -4.187 -5.299 1.00 0.00 C ATOM 262 O LYS A 18 2.494 -5.164 -4.797 1.00 0.00 O ATOM 263 CB LYS A 18 3.434 -2.556 -4.069 1.00 0.00 C ATOM 264 CG LYS A 18 4.344 -1.787 -5.033 1.00 0.00 C ATOM 265 CD LYS A 18 4.835 -2.590 -6.237 1.00 0.00 C ATOM 266 CE LYS A 18 5.323 -4.011 -5.941 1.00 0.00 C ATOM 267 NZ LYS A 18 6.294 -4.122 -4.825 1.00 0.00 N ATOM 0 H LYS A 18 0.897 -3.701 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 18 1.844 -2.048 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.342 -1.989 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.908 -3.504 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.807 -0.910 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.210 -1.424 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.025 -2.649 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.648 -2.039 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.459 -4.636 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.781 -4.417 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.067 -4.760 -5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.682 -3.182 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.814 -4.502 -3.984 1.00 0.00 H new ATOM 281 N GLN A 19 1.204 -4.228 -6.410 1.00 0.00 N ATOM 282 CA GLN A 19 0.838 -5.471 -7.048 1.00 0.00 C ATOM 283 C GLN A 19 2.051 -6.316 -7.396 1.00 0.00 C ATOM 284 O GLN A 19 3.152 -5.812 -7.646 1.00 0.00 O ATOM 285 CB GLN A 19 0.043 -5.219 -8.324 1.00 0.00 C ATOM 286 CG GLN A 19 -1.318 -4.580 -8.070 1.00 0.00 C ATOM 287 CD GLN A 19 -2.225 -4.978 -9.213 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.210 -4.370 -10.284 1.00 0.00 O ATOM 289 NE2 GLN A 19 -2.928 -6.078 -9.056 1.00 0.00 N ATOM 0 H GLN A 19 0.856 -3.397 -6.888 1.00 0.00 H new ATOM 0 HA GLN A 19 0.226 -6.013 -6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.623 -4.573 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.099 -6.164 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.729 -4.918 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.228 -3.495 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.923 -6.563 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.478 -6.447 -9.832 1.00 0.00 H new ATOM 298 N GLN A 20 1.813 -7.621 -7.478 1.00 0.00 N ATOM 299 CA GLN A 20 2.817 -8.555 -7.911 1.00 0.00 C ATOM 300 C GLN A 20 3.095 -8.319 -9.395 1.00 0.00 C ATOM 301 O GLN A 20 2.180 -8.297 -10.224 1.00 0.00 O ATOM 302 CB GLN A 20 2.366 -9.988 -7.582 1.00 0.00 C ATOM 303 CG GLN A 20 3.598 -10.805 -7.192 1.00 0.00 C ATOM 304 CD GLN A 20 3.274 -12.197 -6.670 1.00 0.00 C ATOM 305 OE1 GLN A 20 2.334 -12.851 -7.107 1.00 0.00 O ATOM 306 NE2 GLN A 20 4.067 -12.721 -5.752 1.00 0.00 N ATOM 0 H GLN A 20 0.917 -8.049 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 20 3.758 -8.406 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.643 -9.980 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.871 -10.437 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.251 -10.896 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.155 -10.262 -6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.850 -12.180 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.896 -13.666 -5.410 1.00 0.00 H new ATOM 315 N GLY A 21 4.367 -8.087 -9.708 1.00 0.00 N ATOM 316 CA GLY A 21 4.876 -7.867 -11.050 1.00 0.00 C ATOM 317 C GLY A 21 5.061 -6.388 -11.340 1.00 0.00 C ATOM 318 O GLY A 21 6.120 -5.984 -11.823 1.00 0.00 O ATOM 0 H GLY A 21 5.099 -8.046 -8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.828 -8.384 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.187 -8.298 -11.777 1.00 0.00 H new ATOM 322 N CYS A 22 4.061 -5.573 -11.013 1.00 0.00 N ATOM 323 CA CYS A 22 4.119 -4.136 -11.215 1.00 0.00 C ATOM 324 C CYS A 22 4.992 -3.462 -10.154 1.00 0.00 C ATOM 325 O CYS A 22 5.494 -4.090 -9.215 1.00 0.00 O ATOM 326 CB CYS A 22 2.693 -3.584 -11.194 1.00 0.00 C ATOM 327 SG CYS A 22 1.819 -4.090 -12.694 1.00 0.00 S ATOM 0 H CYS A 22 3.187 -5.896 -10.599 1.00 0.00 H new ATOM 0 HA CYS A 22 4.578 -3.921 -12.180 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.165 -3.949 -10.313 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.715 -2.496 -11.124 1.00 0.00 H new ATOM 0 HG CYS A 22 0.607 -3.620 -12.670 1.00 0.00 H new ATOM 333 N ASN A 23 5.178 -2.153 -10.330 1.00 0.00 N ATOM 334 CA ASN A 23 6.056 -1.312 -9.521 1.00 0.00 C ATOM 335 C ASN A 23 5.289 -0.119 -8.966 1.00 0.00 C ATOM 336 O ASN A 23 5.701 0.466 -7.968 1.00 0.00 O ATOM 337 CB ASN A 23 7.229 -0.805 -10.378 1.00 0.00 C ATOM 338 CG ASN A 23 7.903 -1.962 -11.094 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.488 -2.842 -10.468 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.743 -2.066 -12.398 1.00 0.00 N ATOM 0 H ASN A 23 4.703 -1.632 -11.067 1.00 0.00 H new ATOM 0 HA ASN A 23 6.436 -1.908 -8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.868 -0.079 -11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.952 -0.289 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.106 -2.881 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.256 -1.332 -12.912 1.00 0.00 H new ATOM 347 N GLU A 24 4.187 0.252 -9.618 1.00 0.00 N ATOM 348 CA GLU A 24 3.366 1.395 -9.269 1.00 0.00 C ATOM 349 C GLU A 24 2.778 1.178 -7.873 1.00 0.00 C ATOM 350 O GLU A 24 2.090 0.182 -7.637 1.00 0.00 O ATOM 351 CB GLU A 24 2.265 1.525 -10.331 1.00 0.00 C ATOM 352 CG GLU A 24 1.416 2.789 -10.126 1.00 0.00 C ATOM 353 CD GLU A 24 -0.067 2.614 -10.480 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.628 1.512 -10.281 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.708 3.608 -10.901 1.00 0.00 O ATOM 0 H GLU A 24 3.836 -0.257 -10.429 1.00 0.00 H new ATOM 0 HA GLU A 24 3.949 2.316 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.718 1.549 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.621 0.646 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.495 3.102 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.830 3.594 -10.733 1.00 0.00 H new ATOM 362 N LEU A 25 3.045 2.068 -6.921 1.00 0.00 N ATOM 363 CA LEU A 25 2.385 2.006 -5.627 1.00 0.00 C ATOM 364 C LEU A 25 0.942 2.479 -5.757 1.00 0.00 C ATOM 365 O LEU A 25 0.648 3.362 -6.556 1.00 0.00 O ATOM 366 CB LEU A 25 3.131 2.882 -4.611 1.00 0.00 C ATOM 367 CG LEU A 25 4.162 2.131 -3.756 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.520 1.014 -2.927 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.352 1.583 -4.544 1.00 0.00 C ATOM 0 H LEU A 25 3.710 2.835 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 25 2.393 0.974 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.638 3.685 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.402 3.350 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 25 4.558 2.891 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.287 0.511 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.772 1.441 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.043 0.295 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.031 1.067 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.996 0.884 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.878 2.406 -5.028 1.00 0.00 H new ATOM 381 N LEU A 26 0.071 1.946 -4.899 1.00 0.00 N ATOM 382 CA LEU A 26 -1.317 2.363 -4.761 1.00 0.00 C ATOM 383 C LEU A 26 -1.491 3.051 -3.403 1.00 0.00 C ATOM 384 O LEU A 26 -1.711 2.362 -2.403 1.00 0.00 O ATOM 385 CB LEU A 26 -2.318 1.209 -4.977 1.00 0.00 C ATOM 386 CG LEU A 26 -3.484 1.548 -5.918 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.120 2.907 -5.590 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.023 1.457 -7.375 1.00 0.00 C ATOM 0 H LEU A 26 0.324 1.189 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.549 3.075 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.781 0.349 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.723 0.909 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.272 0.811 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.939 3.102 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.503 2.893 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.370 3.692 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.855 1.699 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.209 2.162 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.676 0.445 -7.584 1.00 0.00 H new ATOM 400 N PRO A 27 -1.244 4.367 -3.291 1.00 0.00 N ATOM 401 CA PRO A 27 -1.512 5.093 -2.058 1.00 0.00 C ATOM 402 C PRO A 27 -3.018 5.076 -1.788 1.00 0.00 C ATOM 403 O PRO A 27 -3.817 5.353 -2.683 1.00 0.00 O ATOM 404 CB PRO A 27 -0.987 6.512 -2.305 1.00 0.00 C ATOM 405 CG PRO A 27 -1.123 6.690 -3.818 1.00 0.00 C ATOM 406 CD PRO A 27 -0.891 5.284 -4.366 1.00 0.00 C ATOM 0 HA PRO A 27 -1.031 4.656 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.570 7.255 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.048 6.618 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.108 7.069 -4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.390 7.398 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.504 5.104 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.148 5.150 -4.667 1.00 0.00 H new ATOM 414 N LEU A 28 -3.423 4.763 -0.557 1.00 0.00 N ATOM 415 CA LEU A 28 -4.819 4.667 -0.142 1.00 0.00 C ATOM 416 C LEU A 28 -4.920 5.404 1.192 1.00 0.00 C ATOM 417 O LEU A 28 -4.458 4.870 2.206 1.00 0.00 O ATOM 418 CB LEU A 28 -5.214 3.182 -0.025 1.00 0.00 C ATOM 419 CG LEU A 28 -5.236 2.420 -1.376 1.00 0.00 C ATOM 420 CD1 LEU A 28 -4.778 0.970 -1.219 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.635 2.420 -1.993 1.00 0.00 C ATOM 0 H LEU A 28 -2.768 4.564 0.199 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.504 5.116 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.516 2.684 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.201 3.115 0.433 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.544 2.947 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.808 0.472 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.759 0.950 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.440 0.453 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.616 1.878 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.333 1.935 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.955 3.447 -2.170 1.00 0.00 H new ATOM 433 N ARG A 29 -5.423 6.651 1.201 1.00 0.00 N ATOM 434 CA ARG A 29 -5.339 7.485 2.412 1.00 0.00 C ATOM 435 C ARG A 29 -6.191 6.899 3.545 1.00 0.00 C ATOM 436 O ARG A 29 -5.784 6.939 4.709 1.00 0.00 O ATOM 437 CB ARG A 29 -5.711 8.970 2.214 1.00 0.00 C ATOM 438 CG ARG A 29 -5.283 9.695 0.920 1.00 0.00 C ATOM 439 CD ARG A 29 -6.501 10.169 0.117 1.00 0.00 C ATOM 440 NE ARG A 29 -6.206 11.303 -0.776 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.310 11.306 -2.109 1.00 0.00 C ATOM 442 NH1 ARG A 29 -6.287 10.178 -2.808 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.453 12.470 -2.726 1.00 0.00 N ATOM 0 H ARG A 29 -5.881 7.095 0.405 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.281 7.468 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.796 9.048 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.293 9.526 3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.655 10.550 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.680 9.025 0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.882 9.338 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.293 10.457 0.808 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.893 12.168 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.188 9.283 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.368 10.206 -3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.481 13.334 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.535 12.502 -3.742 1.00 0.00 H new ATOM 457 N THR A 30 -7.363 6.352 3.219 1.00 0.00 N ATOM 458 CA THR A 30 -8.196 5.616 4.157 1.00 0.00 C ATOM 459 C THR A 30 -9.033 4.579 3.423 1.00 0.00 C ATOM 460 O THR A 30 -8.984 4.449 2.198 1.00 0.00 O ATOM 461 CB THR A 30 -9.037 6.576 5.018 1.00 0.00 C ATOM 462 OG1 THR A 30 -9.456 5.929 6.195 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.261 7.188 4.331 1.00 0.00 C ATOM 0 H THR A 30 -7.761 6.411 2.282 1.00 0.00 H new ATOM 0 HA THR A 30 -7.557 5.069 4.850 1.00 0.00 H new ATOM 0 HB THR A 30 -8.366 7.409 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.989 6.548 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.778 7.847 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.941 7.761 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.936 6.393 4.014 1.00 0.00 H new ATOM 471 N ASN A 31 -9.828 3.856 4.203 1.00 0.00 N ATOM 472 CA ASN A 31 -10.616 2.723 3.766 1.00 0.00 C ATOM 473 C ASN A 31 -11.629 3.094 2.690 1.00 0.00 C ATOM 474 O ASN A 31 -11.971 2.237 1.883 1.00 0.00 O ATOM 475 CB ASN A 31 -11.349 2.115 4.968 1.00 0.00 C ATOM 476 CG ASN A 31 -11.452 0.600 4.844 1.00 0.00 C ATOM 477 OD1 ASN A 31 -11.096 -0.129 5.758 1.00 0.00 O ATOM 478 ND2 ASN A 31 -11.883 0.075 3.710 1.00 0.00 N ATOM 0 H ASN A 31 -9.942 4.056 5.197 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.928 1.999 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.821 2.372 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.348 2.545 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.918 -0.938 3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.180 0.683 2.947 1.00 0.00 H new ATOM 485 N ASP A 32 -12.121 4.335 2.664 1.00 0.00 N ATOM 486 CA ASP A 32 -13.072 4.787 1.640 1.00 0.00 C ATOM 487 C ASP A 32 -12.459 4.650 0.243 1.00 0.00 C ATOM 488 O ASP A 32 -13.118 4.197 -0.691 1.00 0.00 O ATOM 489 CB ASP A 32 -13.493 6.236 1.913 1.00 0.00 C ATOM 490 CG ASP A 32 -14.216 6.867 0.717 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.278 6.357 0.297 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.693 7.898 0.225 1.00 0.00 O ATOM 0 H ASP A 32 -11.875 5.052 3.346 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.961 4.157 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.146 6.264 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.611 6.829 2.156 1.00 0.00 H new ATOM 497 N ASP A 33 -11.171 4.971 0.110 1.00 0.00 N ATOM 498 CA ASP A 33 -10.411 4.851 -1.129 1.00 0.00 C ATOM 499 C ASP A 33 -10.390 3.391 -1.581 1.00 0.00 C ATOM 500 O ASP A 33 -10.751 3.099 -2.718 1.00 0.00 O ATOM 501 CB ASP A 33 -8.992 5.396 -0.884 1.00 0.00 C ATOM 502 CG ASP A 33 -8.200 5.728 -2.148 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.490 5.206 -3.244 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.224 6.502 -2.041 1.00 0.00 O ATOM 0 H ASP A 33 -10.615 5.332 0.885 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.874 5.432 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.065 6.295 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.432 4.662 -0.305 1.00 0.00 H new ATOM 509 N TRP A 34 -10.070 2.457 -0.679 1.00 0.00 N ATOM 510 CA TRP A 34 -10.109 1.020 -0.958 1.00 0.00 C ATOM 511 C TRP A 34 -11.506 0.575 -1.385 1.00 0.00 C ATOM 512 O TRP A 34 -11.649 -0.119 -2.385 1.00 0.00 O ATOM 513 CB TRP A 34 -9.644 0.239 0.274 1.00 0.00 C ATOM 514 CG TRP A 34 -9.753 -1.256 0.189 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.869 -1.987 0.424 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.726 -2.222 -0.185 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.597 -3.327 0.237 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.287 -3.531 -0.132 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.376 -2.123 -0.579 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.541 -4.679 -0.432 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.615 -3.266 -0.879 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.192 -4.544 -0.799 1.00 0.00 C ATOM 0 H TRP A 34 -9.775 2.680 0.272 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.432 0.812 -1.787 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.603 0.496 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.224 0.577 1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.827 -1.582 0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.282 -4.073 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.917 -1.148 -0.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.998 -5.656 -0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.581 -3.161 -1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.600 -5.420 -1.019 1.00 0.00 H new ATOM 533 N GLN A 35 -12.542 0.978 -0.648 1.00 0.00 N ATOM 534 CA GLN A 35 -13.919 0.567 -0.910 1.00 0.00 C ATOM 535 C GLN A 35 -14.400 1.096 -2.258 1.00 0.00 C ATOM 536 O GLN A 35 -15.271 0.495 -2.875 1.00 0.00 O ATOM 537 CB GLN A 35 -14.833 1.086 0.206 1.00 0.00 C ATOM 538 CG GLN A 35 -14.490 0.483 1.571 1.00 0.00 C ATOM 539 CD GLN A 35 -15.181 -0.840 1.895 1.00 0.00 C ATOM 540 OE1 GLN A 35 -15.683 -1.539 1.023 1.00 0.00 O ATOM 541 NE2 GLN A 35 -15.161 -1.245 3.156 1.00 0.00 N ATOM 0 H GLN A 35 -12.447 1.603 0.153 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.954 -0.522 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.753 2.172 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.869 0.855 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.412 0.332 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.748 1.207 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.741 -0.655 3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.566 -2.146 3.409 1.00 0.00 H new ATOM 550 N ARG A 36 -13.866 2.226 -2.718 1.00 0.00 N ATOM 551 CA ARG A 36 -14.055 2.708 -4.090 1.00 0.00 C ATOM 552 C ARG A 36 -13.207 1.930 -5.092 1.00 0.00 C ATOM 553 O ARG A 36 -13.682 1.646 -6.192 1.00 0.00 O ATOM 554 CB ARG A 36 -13.773 4.220 -4.139 1.00 0.00 C ATOM 555 CG ARG A 36 -15.033 4.971 -3.686 1.00 0.00 C ATOM 556 CD ARG A 36 -14.779 6.189 -2.790 1.00 0.00 C ATOM 557 NE ARG A 36 -14.504 7.406 -3.563 1.00 0.00 N ATOM 558 CZ ARG A 36 -13.350 8.063 -3.685 1.00 0.00 C ATOM 559 NH1 ARG A 36 -12.260 7.649 -3.047 1.00 0.00 N ATOM 560 NH2 ARG A 36 -13.304 9.161 -4.428 1.00 0.00 N ATOM 0 H ARG A 36 -13.285 2.839 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.090 2.536 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.932 4.469 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.497 4.520 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.580 5.298 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.679 4.275 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.648 6.355 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.936 5.982 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.296 7.799 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.300 6.819 -2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.384 8.161 -3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.146 9.494 -4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.427 9.672 -4.529 1.00 0.00 H new ATOM 574 N PHE A 37 -11.976 1.571 -4.733 1.00 0.00 N ATOM 575 CA PHE A 37 -11.047 0.855 -5.591 1.00 0.00 C ATOM 576 C PHE A 37 -11.632 -0.505 -5.960 1.00 0.00 C ATOM 577 O PHE A 37 -11.905 -0.766 -7.128 1.00 0.00 O ATOM 578 CB PHE A 37 -9.679 0.724 -4.890 1.00 0.00 C ATOM 579 CG PHE A 37 -8.546 0.291 -5.794 1.00 0.00 C ATOM 580 CD1 PHE A 37 -8.404 -1.056 -6.192 1.00 0.00 C ATOM 581 CD2 PHE A 37 -7.626 1.254 -6.247 1.00 0.00 C ATOM 582 CE1 PHE A 37 -7.371 -1.427 -7.074 1.00 0.00 C ATOM 583 CE2 PHE A 37 -6.617 0.884 -7.147 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.480 -0.451 -7.547 1.00 0.00 C ATOM 0 H PHE A 37 -11.591 1.778 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.891 1.412 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.422 1.684 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.771 0.006 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.089 -1.803 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.697 2.275 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.265 -2.456 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.942 1.633 -7.534 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.685 -0.731 -8.223 1.00 0.00 H new ATOM 594 N CYS A 38 -11.849 -1.370 -4.966 1.00 0.00 N ATOM 595 CA CYS A 38 -12.251 -2.746 -5.205 1.00 0.00 C ATOM 596 C CYS A 38 -13.697 -2.845 -5.694 1.00 0.00 C ATOM 597 O CYS A 38 -14.061 -3.841 -6.321 1.00 0.00 O ATOM 598 CB CYS A 38 -12.027 -3.566 -3.930 1.00 0.00 C ATOM 599 SG CYS A 38 -13.117 -3.056 -2.570 1.00 0.00 S ATOM 0 H CYS A 38 -11.750 -1.131 -3.979 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.634 -3.156 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.193 -4.621 -4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.988 -3.465 -3.615 1.00 0.00 H new ATOM 0 HG CYS A 38 -12.811 -1.849 -2.198 1.00 0.00 H new ATOM 605 N ALA A 39 -14.524 -1.832 -5.435 1.00 0.00 N ATOM 606 CA ALA A 39 -15.873 -1.723 -5.974 1.00 0.00 C ATOM 607 C ALA A 39 -15.779 -1.646 -7.491 1.00 0.00 C ATOM 608 O ALA A 39 -16.329 -2.492 -8.196 1.00 0.00 O ATOM 609 CB ALA A 39 -16.587 -0.496 -5.395 1.00 0.00 C ATOM 0 H ALA A 39 -14.267 -1.050 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.461 -2.597 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.593 -0.431 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.646 -0.588 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.030 0.405 -5.653 1.00 0.00 H new ATOM 615 N ASP A 40 -15.008 -0.676 -7.985 1.00 0.00 N ATOM 616 CA ASP A 40 -14.773 -0.498 -9.415 1.00 0.00 C ATOM 617 C ASP A 40 -13.806 -1.549 -9.988 1.00 0.00 C ATOM 618 O ASP A 40 -13.420 -1.474 -11.153 1.00 0.00 O ATOM 619 CB ASP A 40 -14.261 0.926 -9.696 1.00 0.00 C ATOM 620 CG ASP A 40 -14.777 1.500 -11.026 1.00 0.00 C ATOM 621 OD1 ASP A 40 -15.242 0.750 -11.912 1.00 0.00 O ATOM 622 OD2 ASP A 40 -14.742 2.747 -11.170 1.00 0.00 O ATOM 0 H ASP A 40 -14.528 0.009 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.728 -0.642 -9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.565 1.583 -8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.171 0.918 -9.709 1.00 0.00 H new ATOM 627 N SER A 41 -13.358 -2.506 -9.165 1.00 0.00 N ATOM 628 CA SER A 41 -12.214 -3.403 -9.335 1.00 0.00 C ATOM 629 C SER A 41 -10.878 -2.670 -9.461 1.00 0.00 C ATOM 630 O SER A 41 -9.916 -3.068 -8.807 1.00 0.00 O ATOM 631 CB SER A 41 -12.425 -4.371 -10.505 1.00 0.00 C ATOM 632 OG SER A 41 -13.564 -5.180 -10.262 1.00 0.00 O ATOM 0 H SER A 41 -13.834 -2.686 -8.281 1.00 0.00 H new ATOM 0 HA SER A 41 -12.157 -3.984 -8.415 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.556 -3.812 -11.432 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.543 -4.998 -10.633 1.00 0.00 H new ATOM 0 HG SER A 41 -13.695 -5.795 -11.014 1.00 0.00 H new ATOM 638 N LYS A 42 -10.814 -1.624 -10.290 1.00 0.00 N ATOM 639 CA LYS A 42 -9.671 -0.835 -10.737 1.00 0.00 C ATOM 640 C LYS A 42 -8.658 -1.656 -11.517 1.00 0.00 C ATOM 641 O LYS A 42 -8.121 -1.137 -12.493 1.00 0.00 O ATOM 642 CB LYS A 42 -9.033 -0.081 -9.566 1.00 0.00 C ATOM 643 CG LYS A 42 -9.534 1.355 -9.377 1.00 0.00 C ATOM 644 CD LYS A 42 -8.542 2.401 -9.898 1.00 0.00 C ATOM 645 CE LYS A 42 -8.434 2.446 -11.424 1.00 0.00 C ATOM 646 NZ LYS A 42 -7.586 3.579 -11.851 1.00 0.00 N ATOM 0 H LYS A 42 -11.672 -1.270 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.049 -0.092 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.219 -0.639 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.953 -0.058 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.486 1.474 -9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.721 1.534 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.842 3.384 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.557 2.194 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.013 1.510 -11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.427 2.543 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.524 3.594 -12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.004 4.471 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.633 3.470 -11.449 1.00 0.00 H new ATOM 660 N HIS A 43 -8.376 -2.894 -11.124 1.00 0.00 N ATOM 661 CA HIS A 43 -7.478 -3.798 -11.769 1.00 0.00 C ATOM 662 C HIS A 43 -7.833 -5.261 -11.463 1.00 0.00 C ATOM 663 O HIS A 43 -8.796 -5.575 -10.752 1.00 0.00 O ATOM 664 CB HIS A 43 -6.060 -3.389 -11.365 1.00 0.00 C ATOM 665 CG HIS A 43 -5.632 -3.459 -9.927 1.00 0.00 C ATOM 666 ND1 HIS A 43 -4.601 -2.723 -9.387 1.00 0.00 N ATOM 667 CD2 HIS A 43 -6.087 -4.313 -8.967 1.00 0.00 C ATOM 668 CE1 HIS A 43 -4.454 -3.110 -8.110 1.00 0.00 C ATOM 669 NE2 HIS A 43 -5.337 -4.073 -7.811 1.00 0.00 N ATOM 0 H HIS A 43 -8.804 -3.302 -10.293 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.557 -3.736 -12.854 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.370 -4.009 -11.938 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.914 -2.361 -11.695 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.050 -2.013 -9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.879 -5.039 -9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.728 -2.703 -7.422 1.00 0.00 H new ATOM 677 N LEU A 44 -7.022 -6.167 -12.000 1.00 0.00 N ATOM 678 CA LEU A 44 -6.898 -7.555 -11.602 1.00 0.00 C ATOM 679 C LEU A 44 -6.337 -7.606 -10.195 1.00 0.00 C ATOM 680 O LEU A 44 -5.225 -7.136 -9.997 1.00 0.00 O ATOM 681 CB LEU A 44 -5.938 -8.238 -12.567 1.00 0.00 C ATOM 682 CG LEU A 44 -6.230 -9.734 -12.702 1.00 0.00 C ATOM 683 CD1 LEU A 44 -5.075 -10.272 -13.517 1.00 0.00 C ATOM 684 CD2 LEU A 44 -6.325 -10.504 -11.384 1.00 0.00 C ATOM 0 H LEU A 44 -6.398 -5.932 -12.772 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.865 -8.058 -11.623 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.010 -7.765 -13.546 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.914 -8.098 -12.220 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.213 -9.865 -13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.202 -11.345 -13.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.050 -9.773 -14.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.140 -10.086 -12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.534 -11.554 -11.590 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.381 -10.421 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.128 -10.087 -10.776 1.00 0.00 H new ATOM 696 N LEU A 45 -7.063 -8.166 -9.232 1.00 0.00 N ATOM 697 CA LEU A 45 -6.552 -8.360 -7.880 1.00 0.00 C ATOM 698 C LEU A 45 -5.929 -9.747 -7.814 1.00 0.00 C ATOM 699 O LEU A 45 -6.612 -10.731 -8.100 1.00 0.00 O ATOM 700 CB LEU A 45 -7.697 -8.197 -6.869 1.00 0.00 C ATOM 701 CG LEU A 45 -8.158 -6.728 -6.789 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.569 -6.636 -6.197 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.198 -5.909 -5.914 1.00 0.00 C ATOM 0 H LEU A 45 -8.018 -8.497 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.794 -7.618 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.536 -8.830 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.369 -8.533 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.162 -6.325 -7.802 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.876 -5.591 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.265 -7.190 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.571 -7.061 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.539 -4.875 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.176 -6.328 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.197 -5.942 -6.343 1.00 0.00 H new ATOM 715 N GLN A 46 -4.639 -9.834 -7.499 1.00 0.00 N ATOM 716 CA GLN A 46 -3.849 -11.060 -7.578 1.00 0.00 C ATOM 717 C GLN A 46 -3.474 -11.522 -6.176 1.00 0.00 C ATOM 718 O GLN A 46 -3.220 -10.707 -5.281 1.00 0.00 O ATOM 719 CB GLN A 46 -2.571 -10.840 -8.404 1.00 0.00 C ATOM 720 CG GLN A 46 -2.863 -10.333 -9.824 1.00 0.00 C ATOM 721 CD GLN A 46 -1.632 -9.778 -10.529 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.246 -10.228 -11.609 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.008 -8.750 -9.983 1.00 0.00 N ATOM 0 H GLN A 46 -4.100 -9.032 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.452 -11.823 -8.070 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.931 -10.122 -7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.016 -11.776 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.276 -11.150 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.627 -9.557 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.326 -8.376 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.208 -8.330 -10.455 1.00 0.00 H new ATOM 732 N TYR A 47 -3.360 -12.836 -6.012 1.00 0.00 N ATOM 733 CA TYR A 47 -2.648 -13.432 -4.891 1.00 0.00 C ATOM 734 C TYR A 47 -1.219 -12.903 -4.933 1.00 0.00 C ATOM 735 O TYR A 47 -0.616 -12.802 -6.002 1.00 0.00 O ATOM 736 CB TYR A 47 -2.743 -14.966 -4.959 1.00 0.00 C ATOM 737 CG TYR A 47 -4.162 -15.484 -5.163 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.219 -14.962 -4.392 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.438 -16.453 -6.150 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.543 -15.368 -4.625 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.759 -16.888 -6.370 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.818 -16.339 -5.611 1.00 0.00 C ATOM 743 OH TYR A 47 -8.099 -16.766 -5.778 1.00 0.00 O ATOM 0 H TYR A 47 -3.761 -13.518 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.088 -13.158 -3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.114 -15.324 -5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.341 -15.387 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.009 -14.243 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.632 -16.863 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.350 -14.938 -4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.963 -17.640 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.130 -17.434 -6.494 1.00 0.00 H new ATOM 753 N GLY A 48 -0.704 -12.497 -3.773 1.00 0.00 N ATOM 754 CA GLY A 48 0.626 -11.915 -3.682 1.00 0.00 C ATOM 755 C GLY A 48 0.687 -10.395 -3.854 1.00 0.00 C ATOM 756 O GLY A 48 1.788 -9.842 -3.816 1.00 0.00 O ATOM 0 H GLY A 48 -1.194 -12.563 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.052 -12.172 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.259 -12.376 -4.440 1.00 0.00 H new ATOM 760 N ASP A 49 -0.441 -9.687 -3.994 1.00 0.00 N ATOM 761 CA ASP A 49 -0.467 -8.257 -4.370 1.00 0.00 C ATOM 762 C ASP A 49 0.042 -7.276 -3.298 1.00 0.00 C ATOM 763 O ASP A 49 0.091 -6.074 -3.543 1.00 0.00 O ATOM 764 CB ASP A 49 -1.891 -7.850 -4.770 1.00 0.00 C ATOM 765 CG ASP A 49 -2.156 -7.748 -6.274 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.231 -7.877 -7.110 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.337 -7.507 -6.614 1.00 0.00 O ATOM 0 H ASP A 49 -1.368 -10.087 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 49 0.233 -8.179 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.588 -8.572 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.115 -6.885 -4.314 1.00 0.00 H new ATOM 772 N LYS A 50 0.401 -7.803 -2.124 1.00 0.00 N ATOM 773 CA LYS A 50 1.083 -7.205 -0.969 1.00 0.00 C ATOM 774 C LYS A 50 0.560 -5.839 -0.525 1.00 0.00 C ATOM 775 O LYS A 50 0.734 -4.816 -1.199 1.00 0.00 O ATOM 776 CB LYS A 50 2.581 -7.045 -1.259 1.00 0.00 C ATOM 777 CG LYS A 50 3.443 -7.070 0.012 1.00 0.00 C ATOM 778 CD LYS A 50 4.940 -7.053 -0.337 1.00 0.00 C ATOM 779 CE LYS A 50 5.486 -8.425 -0.767 1.00 0.00 C ATOM 780 NZ LYS A 50 5.619 -9.369 0.359 1.00 0.00 N ATOM 0 H LYS A 50 0.194 -8.784 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 50 0.882 -7.905 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.904 -7.844 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.746 -6.104 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.202 -6.210 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.212 -7.962 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.109 -6.336 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.503 -6.702 0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.823 -8.855 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.459 -8.291 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.991 -10.275 0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.272 -8.976 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.688 -9.522 0.796 1.00 0.00 H new ATOM 794 N LEU A 51 0.047 -5.789 0.696 1.00 0.00 N ATOM 795 CA LEU A 51 -0.250 -4.526 1.353 1.00 0.00 C ATOM 796 C LEU A 51 0.827 -4.231 2.388 1.00 0.00 C ATOM 797 O LEU A 51 1.504 -5.142 2.870 1.00 0.00 O ATOM 798 CB LEU A 51 -1.637 -4.598 2.021 1.00 0.00 C ATOM 799 CG LEU A 51 -2.804 -4.213 1.098 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.112 -4.677 1.723 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.935 -2.706 0.869 1.00 0.00 C ATOM 0 H LEU A 51 -0.173 -6.614 1.254 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.263 -3.723 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.798 -5.612 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.644 -3.940 2.890 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.598 -4.691 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.943 -4.406 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.090 -5.759 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.241 -4.199 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.779 -2.510 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.098 -2.206 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.021 -2.327 0.412 1.00 0.00 H new ATOM 813 N VAL A 52 0.927 -2.959 2.758 1.00 0.00 N ATOM 814 CA VAL A 52 1.614 -2.430 3.929 1.00 0.00 C ATOM 815 C VAL A 52 0.665 -1.370 4.504 1.00 0.00 C ATOM 816 O VAL A 52 -0.165 -0.835 3.761 1.00 0.00 O ATOM 817 CB VAL A 52 3.000 -1.872 3.534 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.764 -1.271 4.723 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.899 -2.981 2.966 1.00 0.00 C ATOM 0 H VAL A 52 0.498 -2.216 2.206 1.00 0.00 H new ATOM 0 HA VAL A 52 1.827 -3.188 4.683 1.00 0.00 H new ATOM 0 HB VAL A 52 2.792 -1.098 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.729 -0.896 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.186 -0.451 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.920 -2.039 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.868 -2.561 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.037 -3.758 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.431 -3.411 2.081 1.00 0.00 H new ATOM 829 N ASP A 53 0.760 -1.084 5.803 1.00 0.00 N ATOM 830 CA ASP A 53 -0.057 -0.134 6.556 1.00 0.00 C ATOM 831 C ASP A 53 0.813 0.925 7.260 1.00 0.00 C ATOM 832 O ASP A 53 2.040 0.938 7.105 1.00 0.00 O ATOM 833 CB ASP A 53 -0.931 -0.922 7.545 1.00 0.00 C ATOM 834 CG ASP A 53 -0.257 -1.288 8.869 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.986 -1.368 8.913 1.00 0.00 O ATOM 836 OD2 ASP A 53 -0.986 -1.501 9.859 1.00 0.00 O ATOM 0 H ASP A 53 1.455 -1.540 6.395 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.703 0.419 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.824 -0.336 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.262 -1.840 7.059 1.00 0.00 H new ATOM 841 N SER A 54 0.192 1.822 8.030 1.00 0.00 N ATOM 842 CA SER A 54 0.843 2.882 8.809 1.00 0.00 C ATOM 843 C SER A 54 1.610 2.351 10.038 1.00 0.00 C ATOM 844 O SER A 54 2.148 3.154 10.804 1.00 0.00 O ATOM 845 CB SER A 54 -0.198 3.947 9.215 1.00 0.00 C ATOM 846 OG SER A 54 0.196 5.280 8.902 1.00 0.00 O ATOM 0 H SER A 54 -0.823 1.831 8.133 1.00 0.00 H new ATOM 0 HA SER A 54 1.596 3.339 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.142 3.729 8.715 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.381 3.874 10.287 1.00 0.00 H new ATOM 0 HG SER A 54 -0.322 5.910 9.445 1.00 0.00 H new ATOM 852 N ASN A 55 1.673 1.033 10.251 1.00 0.00 N ATOM 853 CA ASN A 55 2.403 0.354 11.323 1.00 0.00 C ATOM 854 C ASN A 55 3.394 -0.667 10.755 1.00 0.00 C ATOM 855 O ASN A 55 3.887 -1.508 11.510 1.00 0.00 O ATOM 856 CB ASN A 55 1.431 -0.302 12.320 1.00 0.00 C ATOM 857 CG ASN A 55 1.034 0.654 13.424 1.00 0.00 C ATOM 858 OD1 ASN A 55 1.862 1.057 14.242 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.240 1.007 13.474 1.00 0.00 N ATOM 0 H ASN A 55 1.187 0.374 9.643 1.00 0.00 H new ATOM 0 HA ASN A 55 2.979 1.104 11.866 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.539 -0.638 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.897 -1.187 12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.567 1.634 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.895 0.652 12.778 1.00 0.00 H new ATOM 866 N PHE A 56 3.725 -0.581 9.456 1.00 0.00 N ATOM 867 CA PHE A 56 4.723 -1.418 8.789 1.00 0.00 C ATOM 868 C PHE A 56 4.328 -2.904 8.805 1.00 0.00 C ATOM 869 O PHE A 56 5.163 -3.776 8.588 1.00 0.00 O ATOM 870 CB PHE A 56 6.127 -1.132 9.381 1.00 0.00 C ATOM 871 CG PHE A 56 6.741 0.201 8.985 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.198 1.418 9.445 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.873 0.228 8.149 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.745 2.642 9.024 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.420 1.452 7.727 1.00 0.00 C ATOM 876 CZ PHE A 56 7.847 2.663 8.152 1.00 0.00 C ATOM 0 H PHE A 56 3.290 0.094 8.827 1.00 0.00 H new ATOM 0 HA PHE A 56 4.764 -1.156 7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.060 -1.173 10.468 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.802 -1.930 9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.358 1.410 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.325 -0.699 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.317 3.570 9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.281 1.462 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.251 3.604 7.810 1.00 0.00 H new ATOM 886 N HIS A 57 3.061 -3.239 9.029 1.00 0.00 N ATOM 887 CA HIS A 57 2.545 -4.584 8.865 1.00 0.00 C ATOM 888 C HIS A 57 2.498 -4.911 7.375 1.00 0.00 C ATOM 889 O HIS A 57 1.656 -4.364 6.662 1.00 0.00 O ATOM 890 CB HIS A 57 1.157 -4.668 9.489 1.00 0.00 C ATOM 891 CG HIS A 57 1.102 -4.316 10.948 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.117 -3.561 11.548 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.004 -4.693 11.906 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.378 -3.537 12.864 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.492 -4.251 13.132 1.00 0.00 N ATOM 0 H HIS A 57 2.356 -2.568 9.335 1.00 0.00 H new ATOM 0 HA HIS A 57 3.189 -5.308 9.364 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.487 -4.003 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.776 -5.681 9.359 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.665 -3.105 11.079 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.929 -5.227 11.747 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.217 -3.021 13.603 1.00 0.00 H new ATOM 903 N CYS A 58 3.376 -5.790 6.875 1.00 0.00 N ATOM 904 CA CYS A 58 3.141 -6.367 5.558 1.00 0.00 C ATOM 905 C CYS A 58 1.940 -7.308 5.646 1.00 0.00 C ATOM 906 O CYS A 58 1.753 -7.991 6.662 1.00 0.00 O ATOM 907 CB CYS A 58 4.318 -7.208 5.056 1.00 0.00 C ATOM 908 SG CYS A 58 5.911 -6.359 5.055 1.00 0.00 S ATOM 0 H CYS A 58 4.224 -6.105 7.347 1.00 0.00 H new ATOM 0 HA CYS A 58 2.985 -5.535 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.399 -8.101 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.100 -7.543 4.042 1.00 0.00 H new ATOM 0 HG CYS A 58 6.571 -6.674 6.130 1.00 0.00 H new ATOM 914 N PHE A 59 1.227 -7.449 4.535 1.00 0.00 N ATOM 915 CA PHE A 59 0.187 -8.441 4.327 1.00 0.00 C ATOM 916 C PHE A 59 0.352 -9.020 2.923 1.00 0.00 C ATOM 917 O PHE A 59 0.976 -8.399 2.064 1.00 0.00 O ATOM 918 CB PHE A 59 -1.183 -7.777 4.508 1.00 0.00 C ATOM 919 CG PHE A 59 -1.418 -7.199 5.886 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.724 -8.055 6.957 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.276 -5.818 6.110 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.848 -7.540 8.256 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.421 -5.302 7.407 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.681 -6.162 8.488 1.00 0.00 C ATOM 0 H PHE A 59 1.366 -6.849 3.722 1.00 0.00 H new ATOM 0 HA PHE A 59 0.263 -9.252 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.288 -6.981 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.960 -8.512 4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.864 -9.111 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.056 -5.156 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.072 -8.202 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.332 -4.239 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.752 -5.768 9.491 1.00 0.00 H new ATOM 934 N VAL A 60 -0.236 -10.184 2.685 1.00 0.00 N ATOM 935 CA VAL A 60 -0.277 -10.989 1.469 1.00 0.00 C ATOM 936 C VAL A 60 -1.733 -11.431 1.304 1.00 0.00 C ATOM 937 O VAL A 60 -2.389 -11.782 2.285 1.00 0.00 O ATOM 938 CB VAL A 60 0.693 -12.188 1.623 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.471 -13.305 0.591 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.158 -11.738 1.475 1.00 0.00 C ATOM 0 H VAL A 60 -0.760 -10.643 3.430 1.00 0.00 H new ATOM 0 HA VAL A 60 0.042 -10.441 0.583 1.00 0.00 H new ATOM 0 HB VAL A 60 0.485 -12.578 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.188 -14.108 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.542 -13.695 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.610 -12.905 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.816 -12.599 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.305 -11.295 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.391 -11.000 2.243 1.00 0.00 H new ATOM 950 N LEU A 61 -2.237 -11.376 0.069 1.00 0.00 N ATOM 951 CA LEU A 61 -3.528 -11.948 -0.299 1.00 0.00 C ATOM 952 C LEU A 61 -3.296 -13.416 -0.635 1.00 0.00 C ATOM 953 O LEU A 61 -2.381 -13.702 -1.416 1.00 0.00 O ATOM 954 CB LEU A 61 -4.076 -11.235 -1.552 1.00 0.00 C ATOM 955 CG LEU A 61 -5.507 -11.697 -1.902 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.553 -11.052 -0.994 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.856 -11.358 -3.349 1.00 0.00 C ATOM 0 H LEU A 61 -1.753 -10.928 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.241 -11.834 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.073 -10.158 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.416 -11.429 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.523 -12.777 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.546 -11.404 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.352 -11.323 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.509 -9.968 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.869 -11.695 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.793 -10.280 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.156 -11.857 -4.019 1.00 0.00 H new ATOM 969 N GLU A 62 -4.135 -14.303 -0.103 1.00 0.00 N ATOM 970 CA GLU A 62 -4.102 -15.737 -0.371 1.00 0.00 C ATOM 971 C GLU A 62 -5.315 -16.164 -1.206 1.00 0.00 C ATOM 972 O GLU A 62 -6.231 -15.372 -1.422 1.00 0.00 O ATOM 973 CB GLU A 62 -4.059 -16.511 0.957 1.00 0.00 C ATOM 974 CG GLU A 62 -2.784 -16.196 1.755 1.00 0.00 C ATOM 975 CD GLU A 62 -2.454 -17.224 2.844 1.00 0.00 C ATOM 976 OE1 GLU A 62 -3.197 -18.217 3.029 1.00 0.00 O ATOM 977 OE2 GLU A 62 -1.391 -17.055 3.486 1.00 0.00 O ATOM 0 H GLU A 62 -4.877 -14.035 0.544 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.204 -15.966 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.935 -16.258 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.108 -17.581 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.943 -16.132 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.892 -15.215 2.218 1.00 0.00 H new ATOM 984 N GLU A 63 -5.353 -17.432 -1.625 1.00 0.00 N ATOM 985 CA GLU A 63 -6.447 -18.060 -2.375 1.00 0.00 C ATOM 986 C GLU A 63 -7.777 -18.033 -1.614 1.00 0.00 C ATOM 987 O GLU A 63 -8.847 -18.181 -2.209 1.00 0.00 O ATOM 988 CB GLU A 63 -6.059 -19.509 -2.709 1.00 0.00 C ATOM 989 CG GLU A 63 -5.077 -19.580 -3.888 1.00 0.00 C ATOM 990 CD GLU A 63 -4.233 -20.858 -3.912 1.00 0.00 C ATOM 991 OE1 GLU A 63 -4.515 -21.834 -3.178 1.00 0.00 O ATOM 992 OE2 GLU A 63 -3.206 -20.872 -4.628 1.00 0.00 O ATOM 0 H GLU A 63 -4.587 -18.080 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.597 -17.485 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.609 -19.976 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.956 -20.079 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.637 -19.508 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.412 -18.717 -3.848 1.00 0.00 H new ATOM 999 N ASP A 64 -7.730 -17.827 -0.298 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.908 -17.633 0.545 1.00 0.00 C ATOM 1001 C ASP A 64 -9.501 -16.225 0.391 1.00 0.00 C ATOM 1002 O ASP A 64 -10.555 -15.914 0.943 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.505 -17.837 2.003 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.693 -18.348 2.812 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.985 -19.554 2.644 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -10.310 -17.579 3.585 1.00 0.00 O ATOM 0 H ASP A 64 -6.853 -17.790 0.222 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.666 -18.354 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.681 -18.548 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.147 -16.897 2.424 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.803 -15.348 -0.334 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.035 -13.921 -0.514 1.00 0.00 C ATOM 1013 C ALA A 65 -8.989 -13.092 0.779 1.00 0.00 C ATOM 1014 O ALA A 65 -9.290 -11.895 0.730 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.304 -13.687 -1.344 1.00 0.00 C ATOM 0 H ALA A 65 -7.983 -15.653 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.185 -13.538 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.464 -12.616 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.190 -14.154 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.160 -14.124 -0.830 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.616 -13.674 1.926 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.228 -12.886 3.092 1.00 0.00 C ATOM 1023 C HIS A 66 -6.819 -12.318 2.903 1.00 0.00 C ATOM 1024 O HIS A 66 -6.031 -12.827 2.098 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.403 -13.678 4.402 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.653 -14.977 4.515 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -8.185 -16.197 4.880 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -6.307 -15.136 4.348 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -7.170 -17.074 4.937 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -6.007 -16.472 4.637 1.00 0.00 N ATOM 0 H HIS A 66 -8.576 -14.683 2.067 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.903 -12.035 3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.099 -13.037 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.465 -13.886 4.534 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.167 -16.396 5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.604 -14.372 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.274 -18.119 5.189 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.494 -11.295 3.695 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.197 -10.644 3.734 1.00 0.00 C ATOM 1040 C TRP A 67 -4.466 -11.125 4.988 1.00 0.00 C ATOM 1041 O TRP A 67 -4.636 -10.564 6.073 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.381 -9.121 3.674 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.571 -8.577 2.288 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.743 -8.292 1.674 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.531 -8.287 1.309 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.488 -7.795 0.407 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.137 -7.763 0.132 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.128 -8.417 1.307 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.379 -7.367 -0.984 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.359 -8.039 0.193 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.981 -7.504 -0.950 1.00 0.00 C ATOM 0 H TRP A 67 -7.159 -10.886 4.351 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.585 -10.906 2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.244 -8.847 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.510 -8.643 4.123 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.724 -8.431 2.105 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.212 -7.490 -0.244 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.633 -8.816 2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.866 -6.962 -1.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.286 -8.160 0.214 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.386 -7.200 -1.798 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.697 -12.206 4.851 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.907 -12.803 5.927 1.00 0.00 C ATOM 1064 C HIS A 68 -1.611 -12.006 6.163 1.00 0.00 C ATOM 1065 O HIS A 68 -1.211 -11.207 5.306 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.614 -14.280 5.590 1.00 0.00 C ATOM 1067 CG HIS A 68 -3.305 -15.302 6.469 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -4.063 -15.085 7.602 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -3.228 -16.654 6.293 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -4.440 -16.283 8.076 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -3.939 -17.277 7.327 1.00 0.00 N ATOM 0 H HIS A 68 -3.604 -12.703 3.965 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.477 -12.767 6.856 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.904 -14.462 4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.538 -14.442 5.653 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.707 -17.158 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.064 -16.428 8.945 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.052 -18.279 7.479 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.936 -12.197 7.314 1.00 0.00 N ATOM 1080 CA PRO A 69 0.251 -11.430 7.656 1.00 0.00 C ATOM 1081 C PRO A 69 1.444 -11.885 6.819 1.00 0.00 C ATOM 1082 O PRO A 69 1.461 -12.979 6.243 1.00 0.00 O ATOM 1083 CB PRO A 69 0.479 -11.676 9.150 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.096 -13.074 9.367 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.272 -13.114 8.397 1.00 0.00 C ATOM 0 HA PRO A 69 0.128 -10.367 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.537 -11.632 9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.030 -10.932 9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.636 -13.851 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.417 -13.223 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.430 -14.124 8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.195 -12.811 8.891 1.00 0.00 H new ATOM 1093 N ALA A 70 2.469 -11.034 6.769 1.00 0.00 N ATOM 1094 CA ALA A 70 3.678 -11.286 6.004 1.00 0.00 C ATOM 1095 C ALA A 70 4.893 -10.611 6.644 1.00 0.00 C ATOM 1096 O ALA A 70 5.689 -10.001 5.931 1.00 0.00 O ATOM 1097 CB ALA A 70 3.419 -10.834 4.559 1.00 0.00 C ATOM 0 H ALA A 70 2.478 -10.143 7.265 1.00 0.00 H new ATOM 0 HA ALA A 70 3.920 -12.349 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.311 -11.010 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.584 -11.399 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.178 -9.771 4.548 1.00 0.00 H new ATOM 1103 N ALA A 71 5.039 -10.729 7.968 1.00 0.00 N ATOM 1104 CA ALA A 71 6.044 -10.080 8.813 1.00 0.00 C ATOM 1105 C ALA A 71 5.799 -8.564 8.904 1.00 0.00 C ATOM 1106 O ALA A 71 5.002 -8.009 8.134 1.00 0.00 O ATOM 1107 CB ALA A 71 7.464 -10.458 8.343 1.00 0.00 C ATOM 0 H ALA A 71 4.414 -11.322 8.514 1.00 0.00 H new ATOM 0 HA ALA A 71 5.951 -10.449 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.201 -9.968 8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.592 -11.539 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.604 -10.134 7.312 1.00 0.00 H new ATOM 1113 N PRO A 72 6.420 -7.853 9.856 1.00 0.00 N ATOM 1114 CA PRO A 72 6.524 -6.412 9.774 1.00 0.00 C ATOM 1115 C PRO A 72 7.540 -6.027 8.691 1.00 0.00 C ATOM 1116 O PRO A 72 8.074 -6.868 7.955 1.00 0.00 O ATOM 1117 CB PRO A 72 6.958 -5.952 11.164 1.00 0.00 C ATOM 1118 CG PRO A 72 7.851 -7.106 11.607 1.00 0.00 C ATOM 1119 CD PRO A 72 7.105 -8.317 11.052 1.00 0.00 C ATOM 0 HA PRO A 72 5.585 -5.936 9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.498 -5.006 11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.109 -5.812 11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.857 -7.024 11.197 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.952 -7.151 12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.796 -9.126 10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.395 -8.706 11.782 1.00 0.00 H new ATOM 1127 N LEU A 73 7.784 -4.728 8.587 1.00 0.00 N ATOM 1128 CA LEU A 73 8.616 -4.127 7.567 1.00 0.00 C ATOM 1129 C LEU A 73 9.627 -3.198 8.266 1.00 0.00 C ATOM 1130 O LEU A 73 9.260 -2.538 9.242 1.00 0.00 O ATOM 1131 CB LEU A 73 7.616 -3.501 6.575 1.00 0.00 C ATOM 1132 CG LEU A 73 8.179 -3.035 5.233 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.149 -3.024 4.106 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.641 -1.625 5.409 1.00 0.00 C ATOM 0 H LEU A 73 7.392 -4.045 9.235 1.00 0.00 H new ATOM 0 HA LEU A 73 9.254 -4.795 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.830 -4.230 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.145 -2.647 7.061 1.00 0.00 H new ATOM 0 HG LEU A 73 8.970 -3.731 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.621 -2.682 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.757 -4.031 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.332 -2.351 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.051 -1.256 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.799 -1.001 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.411 -1.588 6.180 1.00 0.00 H new ATOM 1146 N PRO A 74 10.883 -3.100 7.788 1.00 0.00 N ATOM 1147 CA PRO A 74 11.924 -2.326 8.453 1.00 0.00 C ATOM 1148 C PRO A 74 11.799 -0.840 8.103 1.00 0.00 C ATOM 1149 O PRO A 74 11.157 -0.496 7.112 1.00 0.00 O ATOM 1150 CB PRO A 74 13.241 -2.921 7.943 1.00 0.00 C ATOM 1151 CG PRO A 74 12.911 -3.457 6.556 1.00 0.00 C ATOM 1152 CD PRO A 74 11.441 -3.847 6.672 1.00 0.00 C ATOM 0 HA PRO A 74 11.856 -2.380 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.026 -2.166 7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.598 -3.714 8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.067 -2.702 5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.535 -4.312 6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.908 -3.616 5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.340 -4.919 6.838 1.00 0.00 H new ATOM 1160 N PRO A 75 12.476 0.075 8.812 1.00 0.00 N ATOM 1161 CA PRO A 75 12.392 1.496 8.487 1.00 0.00 C ATOM 1162 C PRO A 75 12.883 1.806 7.065 1.00 0.00 C ATOM 1163 O PRO A 75 12.421 2.779 6.476 1.00 0.00 O ATOM 1164 CB PRO A 75 13.207 2.213 9.566 1.00 0.00 C ATOM 1165 CG PRO A 75 14.156 1.131 10.072 1.00 0.00 C ATOM 1166 CD PRO A 75 13.337 -0.150 9.959 1.00 0.00 C ATOM 0 HA PRO A 75 11.358 1.840 8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.751 3.065 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.570 2.593 10.364 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.063 1.081 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.466 1.319 11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.977 -1.020 9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.756 -0.332 10.863 1.00 0.00 H new ATOM 1174 N GLU A 76 13.777 0.982 6.506 1.00 0.00 N ATOM 1175 CA GLU A 76 14.287 1.103 5.141 1.00 0.00 C ATOM 1176 C GLU A 76 13.372 0.447 4.096 1.00 0.00 C ATOM 1177 O GLU A 76 13.506 0.720 2.896 1.00 0.00 O ATOM 1178 CB GLU A 76 15.687 0.468 5.066 1.00 0.00 C ATOM 1179 CG GLU A 76 15.694 -1.018 5.447 1.00 0.00 C ATOM 1180 CD GLU A 76 17.030 -1.692 5.178 1.00 0.00 C ATOM 1181 OE1 GLU A 76 18.056 -1.233 5.731 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.047 -2.684 4.418 1.00 0.00 O ATOM 0 H GLU A 76 14.176 0.189 7.009 1.00 0.00 H new ATOM 0 HA GLU A 76 14.327 2.166 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.076 0.579 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.362 1.010 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.449 -1.118 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.913 -1.535 4.889 1.00 0.00 H new ATOM 1189 N GLY A 77 12.464 -0.444 4.520 1.00 0.00 N ATOM 1190 CA GLY A 77 11.651 -1.206 3.592 1.00 0.00 C ATOM 1191 C GLY A 77 10.591 -0.327 2.936 1.00 0.00 C ATOM 1192 O GLY A 77 10.094 -0.667 1.862 1.00 0.00 O ATOM 0 H GLY A 77 12.282 -0.647 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.287 -1.647 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.169 -2.030 4.118 1.00 0.00 H new ATOM 1196 N LEU A 78 10.201 0.766 3.604 1.00 0.00 N ATOM 1197 CA LEU A 78 9.240 1.735 3.094 1.00 0.00 C ATOM 1198 C LEU A 78 9.863 2.397 1.869 1.00 0.00 C ATOM 1199 O LEU A 78 9.251 2.439 0.805 1.00 0.00 O ATOM 1200 CB LEU A 78 8.900 2.761 4.192 1.00 0.00 C ATOM 1201 CG LEU A 78 8.134 4.004 3.689 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.787 3.651 3.042 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.890 4.969 4.856 1.00 0.00 C ATOM 0 H LEU A 78 10.555 1.000 4.531 1.00 0.00 H new ATOM 0 HA LEU A 78 8.304 1.255 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.304 2.268 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.825 3.087 4.667 1.00 0.00 H new ATOM 0 HG LEU A 78 8.755 4.470 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.294 4.564 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.954 2.995 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.155 3.143 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.349 5.845 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.301 4.469 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.846 5.280 5.277 1.00 0.00 H new ATOM 1215 N ASN A 79 11.104 2.866 2.002 1.00 0.00 N ATOM 1216 CA ASN A 79 11.897 3.394 0.904 1.00 0.00 C ATOM 1217 C ASN A 79 12.012 2.333 -0.193 1.00 0.00 C ATOM 1218 O ASN A 79 11.916 2.680 -1.364 1.00 0.00 O ATOM 1219 CB ASN A 79 13.300 3.823 1.371 1.00 0.00 C ATOM 1220 CG ASN A 79 13.326 4.575 2.694 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.128 3.974 3.741 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.537 5.877 2.701 1.00 0.00 N ATOM 0 H ASN A 79 11.592 2.888 2.898 1.00 0.00 H new ATOM 0 HA ASN A 79 11.395 4.280 0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.926 2.935 1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.748 4.452 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.536 6.389 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.701 6.372 1.824 1.00 0.00 H new ATOM 1229 N ASP A 80 12.178 1.050 0.161 1.00 0.00 N ATOM 1230 CA ASP A 80 12.271 -0.057 -0.803 1.00 0.00 C ATOM 1231 C ASP A 80 10.958 -0.269 -1.569 1.00 0.00 C ATOM 1232 O ASP A 80 10.986 -0.586 -2.758 1.00 0.00 O ATOM 1233 CB ASP A 80 12.704 -1.363 -0.115 1.00 0.00 C ATOM 1234 CG ASP A 80 13.335 -2.332 -1.121 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.563 -2.183 -1.324 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.623 -3.197 -1.692 1.00 0.00 O ATOM 0 H ASP A 80 12.252 0.749 1.133 1.00 0.00 H new ATOM 0 HA ASP A 80 13.036 0.224 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.418 -1.141 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.841 -1.833 0.356 1.00 0.00 H new ATOM 1241 N LEU A 81 9.796 -0.049 -0.939 1.00 0.00 N ATOM 1242 CA LEU A 81 8.511 0.019 -1.627 1.00 0.00 C ATOM 1243 C LEU A 81 8.533 1.185 -2.607 1.00 0.00 C ATOM 1244 O LEU A 81 8.413 0.981 -3.814 1.00 0.00 O ATOM 1245 CB LEU A 81 7.357 0.201 -0.621 1.00 0.00 C ATOM 1246 CG LEU A 81 6.474 -1.036 -0.440 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.260 -2.224 0.123 1.00 0.00 C ATOM 1248 CD2 LEU A 81 5.371 -0.662 0.547 1.00 0.00 C ATOM 0 H LEU A 81 9.727 0.087 0.070 1.00 0.00 H new ATOM 0 HA LEU A 81 8.347 -0.915 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.775 0.478 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.733 1.033 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 81 6.076 -1.336 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.595 -3.080 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.070 -2.481 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.676 -1.958 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.717 -1.520 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.817 -0.367 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.790 0.168 0.146 1.00 0.00 H new ATOM 1260 N ILE A 82 8.656 2.411 -2.090 1.00 0.00 N ATOM 1261 CA ILE A 82 8.489 3.631 -2.877 1.00 0.00 C ATOM 1262 C ILE A 82 9.512 3.692 -4.021 1.00 0.00 C ATOM 1263 O ILE A 82 9.205 4.230 -5.083 1.00 0.00 O ATOM 1264 CB ILE A 82 8.527 4.869 -1.950 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.412 4.868 -0.877 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.437 6.169 -2.763 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.986 4.657 -1.394 1.00 0.00 C ATOM 0 H ILE A 82 8.875 2.583 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 82 7.509 3.625 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 82 9.484 4.815 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.634 4.086 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.447 5.818 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.466 7.024 -2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.278 6.225 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.503 6.183 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.289 4.675 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.732 5.452 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.921 3.693 -1.899 1.00 0.00 H new ATOM 1279 N ARG A 83 10.674 3.049 -3.868 1.00 0.00 N ATOM 1280 CA ARG A 83 11.669 2.817 -4.912 1.00 0.00 C ATOM 1281 C ARG A 83 11.025 2.349 -6.210 1.00 0.00 C ATOM 1282 O ARG A 83 11.447 2.802 -7.266 1.00 0.00 O ATOM 1283 CB ARG A 83 12.662 1.741 -4.425 1.00 0.00 C ATOM 1284 CG ARG A 83 14.098 2.213 -4.187 1.00 0.00 C ATOM 1285 CD ARG A 83 15.032 1.854 -5.350 1.00 0.00 C ATOM 1286 NE ARG A 83 16.418 1.755 -4.875 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.524 1.771 -5.623 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.464 1.899 -6.946 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.699 1.674 -5.020 1.00 0.00 N ATOM 0 H ARG A 83 10.957 2.659 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 83 12.182 3.758 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.281 1.317 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.682 0.935 -5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.103 3.293 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.477 1.765 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.724 0.908 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.961 2.611 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 83 16.550 1.664 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.560 1.988 -7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.322 1.909 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.746 1.589 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.557 1.684 -5.571 1.00 0.00 H new ATOM 1303 N ALA A 84 10.030 1.466 -6.154 1.00 0.00 N ATOM 1304 CA ALA A 84 9.399 0.903 -7.334 1.00 0.00 C ATOM 1305 C ALA A 84 8.660 1.988 -8.125 1.00 0.00 C ATOM 1306 O ALA A 84 8.992 2.241 -9.283 1.00 0.00 O ATOM 1307 CB ALA A 84 8.535 -0.288 -6.902 1.00 0.00 C ATOM 0 H ALA A 84 9.639 1.121 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 84 10.139 0.516 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.053 -0.724 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.163 -1.038 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.774 0.051 -6.199 1.00 0.00 H new ATOM 1313 N HIS A 85 7.712 2.673 -7.486 1.00 0.00 N ATOM 1314 CA HIS A 85 6.983 3.808 -8.050 1.00 0.00 C ATOM 1315 C HIS A 85 7.971 4.880 -8.541 1.00 0.00 C ATOM 1316 O HIS A 85 7.889 5.351 -9.677 1.00 0.00 O ATOM 1317 CB HIS A 85 6.021 4.330 -6.965 1.00 0.00 C ATOM 1318 CG HIS A 85 5.319 5.641 -7.232 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.988 5.833 -7.562 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.867 6.877 -7.013 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.755 7.155 -7.552 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.869 7.827 -7.219 1.00 0.00 N ATOM 0 H HIS A 85 7.422 2.447 -6.535 1.00 0.00 H new ATOM 0 HA HIS A 85 6.398 3.515 -8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.260 3.569 -6.795 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.583 4.432 -6.037 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.308 5.103 -7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.890 7.079 -6.731 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.804 7.614 -7.780 1.00 0.00 H new ATOM 1330 N CYS A 86 8.959 5.245 -7.717 1.00 0.00 N ATOM 1331 CA CYS A 86 9.901 6.294 -8.091 1.00 0.00 C ATOM 1332 C CYS A 86 10.749 5.874 -9.286 1.00 0.00 C ATOM 1333 O CYS A 86 11.046 6.720 -10.121 1.00 0.00 O ATOM 1334 CB CYS A 86 10.822 6.680 -6.929 1.00 0.00 C ATOM 1335 SG CYS A 86 9.929 7.670 -5.701 1.00 0.00 S ATOM 0 H CYS A 86 9.123 4.833 -6.798 1.00 0.00 H new ATOM 0 HA CYS A 86 9.302 7.164 -8.361 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.218 5.780 -6.459 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.675 7.244 -7.307 1.00 0.00 H new ATOM 0 HG CYS A 86 10.732 7.981 -4.727 1.00 0.00 H new ATOM 1341 N ALA A 87 11.144 4.605 -9.388 1.00 0.00 N ATOM 1342 CA ALA A 87 11.988 4.130 -10.474 1.00 0.00 C ATOM 1343 C ALA A 87 11.211 3.921 -11.769 1.00 0.00 C ATOM 1344 O ALA A 87 11.840 3.835 -12.821 1.00 0.00 O ATOM 1345 CB ALA A 87 12.666 2.818 -10.074 1.00 0.00 C ATOM 0 H ALA A 87 10.886 3.881 -8.718 1.00 0.00 H new ATOM 0 HA ALA A 87 12.735 4.902 -10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.296 2.470 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.280 2.981 -9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.906 2.067 -9.856 1.00 0.00 H new ATOM 1351 N THR A 88 9.877 3.841 -11.731 1.00 0.00 N ATOM 1352 CA THR A 88 9.106 3.762 -12.962 1.00 0.00 C ATOM 1353 C THR A 88 8.749 5.176 -13.452 1.00 0.00 C ATOM 1354 O THR A 88 8.716 5.395 -14.664 1.00 0.00 O ATOM 1355 CB THR A 88 7.963 2.735 -12.808 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.524 2.249 -14.065 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.752 3.212 -12.009 1.00 0.00 C ATOM 0 H THR A 88 9.323 3.830 -10.875 1.00 0.00 H new ATOM 0 HA THR A 88 9.689 3.356 -13.789 1.00 0.00 H new ATOM 0 HB THR A 88 8.420 1.936 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.802 1.600 -13.931 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.010 2.415 -11.962 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.064 3.477 -10.999 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.316 4.085 -12.495 1.00 0.00 H new ATOM 1365 N LEU A 89 8.582 6.159 -12.558 1.00 0.00 N ATOM 1366 CA LEU A 89 8.266 7.543 -12.934 1.00 0.00 C ATOM 1367 C LEU A 89 9.508 8.441 -13.011 1.00 0.00 C ATOM 1368 O LEU A 89 9.428 9.568 -13.501 1.00 0.00 O ATOM 1369 CB LEU A 89 7.252 8.132 -11.942 1.00 0.00 C ATOM 1370 CG LEU A 89 5.935 7.342 -11.821 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.000 8.018 -10.819 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.204 7.208 -13.160 1.00 0.00 C ATOM 0 H LEU A 89 8.662 6.017 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 89 7.837 7.512 -13.936 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.718 8.188 -10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.020 9.153 -12.244 1.00 0.00 H new ATOM 0 HG LEU A 89 6.205 6.343 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.074 7.448 -10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.481 8.058 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.777 9.031 -11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.283 6.643 -13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.965 8.199 -13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.843 6.686 -13.873 1.00 0.00 H new ATOM 1384 N GLY A 90 10.666 7.961 -12.555 1.00 0.00 N ATOM 1385 CA GLY A 90 11.931 8.685 -12.532 1.00 0.00 C ATOM 1386 C GLY A 90 11.997 9.778 -11.467 1.00 0.00 C ATOM 1387 O GLY A 90 12.686 10.780 -11.666 1.00 0.00 O ATOM 0 H GLY A 90 10.748 7.017 -12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.741 7.976 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.100 9.134 -13.511 1.00 0.00 H new ATOM 1391 N HIS A 91 11.277 9.627 -10.355 1.00 0.00 N ATOM 1392 CA HIS A 91 11.214 10.639 -9.299 1.00 0.00 C ATOM 1393 C HIS A 91 12.447 10.586 -8.380 1.00 0.00 C ATOM 1394 O HIS A 91 13.278 9.672 -8.470 1.00 0.00 O ATOM 1395 CB HIS A 91 9.888 10.514 -8.538 1.00 0.00 C ATOM 1396 CG HIS A 91 8.683 10.846 -9.388 1.00 0.00 C ATOM 1397 ND1 HIS A 91 7.454 10.253 -9.292 1.00 0.00 N flip ATOM 1398 CD2 HIS A 91 8.590 11.838 -10.348 1.00 0.00 C flip ATOM 1399 CE1 HIS A 91 6.609 10.889 -10.204 1.00 0.00 C flip ATOM 1400 NE2 HIS A 91 7.333 11.832 -10.824 1.00 0.00 N flip ATOM 0 H HIS A 91 10.719 8.796 -10.160 1.00 0.00 H new ATOM 0 HA HIS A 91 11.239 11.629 -9.755 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.788 9.497 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.909 11.177 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 91 9.385 12.499 -10.659 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.567 10.663 -10.377 1.00 0.00 H new ATOM 0 HE2 HIS A 91 6.981 12.454 -11.551 1.00 0.00 H new ATOM 1408 N CYS A 92 12.598 11.591 -7.512 1.00 0.00 N ATOM 1409 CA CYS A 92 13.700 11.739 -6.564 1.00 0.00 C ATOM 1410 C CYS A 92 13.201 11.561 -5.127 1.00 0.00 C ATOM 1411 O CYS A 92 12.014 11.735 -4.848 1.00 0.00 O ATOM 1412 CB CYS A 92 14.312 13.139 -6.704 1.00 0.00 C ATOM 1413 SG CYS A 92 15.026 13.413 -8.349 1.00 0.00 S ATOM 0 H CYS A 92 11.925 12.355 -7.450 1.00 0.00 H new ATOM 0 HA CYS A 92 14.448 10.976 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 92 13.545 13.890 -6.513 1.00 0.00 H new ATOM 0 HB3 CYS A 92 15.085 13.273 -5.947 1.00 0.00 H new ATOM 0 HG CYS A 92 15.526 14.611 -8.411 1.00 0.00 H new ATOM 1419 N CYS A 93 14.121 11.306 -4.188 1.00 0.00 N ATOM 1420 CA CYS A 93 13.770 11.112 -2.781 1.00 0.00 C ATOM 1421 C CYS A 93 13.603 12.409 -1.986 1.00 0.00 C ATOM 1422 O CYS A 93 13.406 12.346 -0.771 1.00 0.00 O ATOM 1423 CB CYS A 93 14.778 10.195 -2.082 1.00 0.00 C ATOM 1424 SG CYS A 93 16.381 10.997 -1.781 1.00 0.00 S ATOM 0 H CYS A 93 15.119 11.229 -4.382 1.00 0.00 H new ATOM 0 HA CYS A 93 12.789 10.638 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.360 9.863 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.933 9.304 -2.691 1.00 0.00 H new ATOM 0 HG CYS A 93 17.179 10.161 -1.186 1.00 0.00 H new ATOM 1430 N THR A 94 13.659 13.574 -2.636 1.00 0.00 N ATOM 1431 CA THR A 94 13.417 14.870 -2.013 1.00 0.00 C ATOM 1432 C THR A 94 14.425 15.119 -0.883 1.00 0.00 C ATOM 1433 O THR A 94 15.484 14.484 -0.840 1.00 0.00 O ATOM 1434 CB THR A 94 11.925 15.004 -1.635 1.00 0.00 C ATOM 1435 OG1 THR A 94 11.570 14.198 -0.535 1.00 0.00 O ATOM 1436 CG2 THR A 94 11.004 14.599 -2.791 1.00 0.00 C ATOM 0 H THR A 94 13.879 13.640 -3.630 1.00 0.00 H new ATOM 0 HA THR A 94 13.599 15.683 -2.716 1.00 0.00 H new ATOM 0 HB THR A 94 11.796 16.057 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.315 13.601 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.964 14.708 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.197 15.240 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.195 13.561 -3.062 1.00 0.00 H new ATOM 1444 N SER A 95 14.169 16.094 -0.013 1.00 0.00 N ATOM 1445 CA SER A 95 14.853 16.213 1.271 1.00 0.00 C ATOM 1446 C SER A 95 14.096 15.356 2.303 1.00 0.00 C ATOM 1447 O SER A 95 13.175 14.629 1.924 1.00 0.00 O ATOM 1448 CB SER A 95 14.966 17.703 1.615 1.00 0.00 C ATOM 1449 OG SER A 95 15.637 18.377 0.554 1.00 0.00 O ATOM 0 H SER A 95 13.479 16.826 -0.180 1.00 0.00 H new ATOM 0 HA SER A 95 15.873 15.829 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.975 18.131 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.513 17.833 2.549 1.00 0.00 H new ATOM 0 HG SER A 95 15.711 19.331 0.767 1.00 0.00 H new ATOM 1455 N LYS A 96 14.452 15.414 3.594 1.00 0.00 N ATOM 1456 CA LYS A 96 13.806 14.639 4.665 1.00 0.00 C ATOM 1457 C LYS A 96 13.994 13.121 4.495 1.00 0.00 C ATOM 1458 O LYS A 96 13.160 12.366 4.983 1.00 0.00 O ATOM 1459 CB LYS A 96 12.319 15.041 4.767 1.00 0.00 C ATOM 1460 CG LYS A 96 11.692 14.838 6.157 1.00 0.00 C ATOM 1461 CD LYS A 96 10.206 15.202 6.108 1.00 0.00 C ATOM 1462 CE LYS A 96 9.428 14.140 5.323 1.00 0.00 C ATOM 1463 NZ LYS A 96 8.681 14.692 4.175 1.00 0.00 N ATOM 0 H LYS A 96 15.209 16.010 3.930 1.00 0.00 H new ATOM 0 HA LYS A 96 14.297 14.882 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.220 16.090 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.750 14.463 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.813 13.802 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.205 15.458 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.809 15.280 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.078 16.178 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.124 13.382 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.730 13.640 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.177 13.924 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.994 15.396 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.344 15.145 3.515 1.00 0.00 H new ATOM 1477 N MET A 97 15.079 12.679 3.840 1.00 0.00 N ATOM 1478 CA MET A 97 15.440 11.270 3.636 1.00 0.00 C ATOM 1479 C MET A 97 14.213 10.456 3.206 1.00 0.00 C ATOM 1480 O MET A 97 13.674 9.667 3.980 1.00 0.00 O ATOM 1481 CB MET A 97 16.151 10.720 4.895 1.00 0.00 C ATOM 1482 CG MET A 97 16.999 9.455 4.665 1.00 0.00 C ATOM 1483 SD MET A 97 16.179 7.903 4.182 1.00 0.00 S ATOM 1484 CE MET A 97 15.284 7.493 5.701 1.00 0.00 C ATOM 0 H MET A 97 15.754 13.319 3.422 1.00 0.00 H new ATOM 0 HA MET A 97 16.154 11.181 2.817 1.00 0.00 H new ATOM 0 HB2 MET A 97 16.794 11.501 5.301 1.00 0.00 H new ATOM 0 HB3 MET A 97 15.398 10.501 5.652 1.00 0.00 H new ATOM 0 HG2 MET A 97 17.734 9.690 3.895 1.00 0.00 H new ATOM 0 HG3 MET A 97 17.552 9.260 5.584 1.00 0.00 H new ATOM 0 HE1 MET A 97 15.371 6.424 5.898 1.00 0.00 H new ATOM 0 HE2 MET A 97 15.708 8.051 6.535 1.00 0.00 H new ATOM 0 HE3 MET A 97 14.232 7.756 5.586 1.00 0.00 H new ATOM 1494 N HIS A 98 13.754 10.662 1.966 1.00 0.00 N ATOM 1495 CA HIS A 98 12.451 10.213 1.480 1.00 0.00 C ATOM 1496 C HIS A 98 11.313 10.808 2.316 1.00 0.00 C ATOM 1497 O HIS A 98 10.696 11.793 1.905 1.00 0.00 O ATOM 1498 CB HIS A 98 12.355 8.675 1.398 1.00 0.00 C ATOM 1499 CG HIS A 98 13.086 8.018 0.267 1.00 0.00 C ATOM 1500 ND1 HIS A 98 14.431 7.737 0.197 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.481 7.494 -0.839 1.00 0.00 C ATOM 1502 CE1 HIS A 98 14.636 7.069 -0.951 1.00 0.00 C ATOM 1503 NE2 HIS A 98 13.482 6.906 -1.624 1.00 0.00 N ATOM 0 H HIS A 98 14.295 11.158 1.258 1.00 0.00 H new ATOM 0 HA HIS A 98 12.344 10.585 0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 98 12.730 8.260 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.302 8.402 1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.426 7.527 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 98 15.598 6.711 -1.288 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.360 6.446 -2.526 1.00 0.00 H new ATOM 1511 N LEU A 99 10.964 10.168 3.431 1.00 0.00 N ATOM 1512 CA LEU A 99 9.634 10.217 4.018 1.00 0.00 C ATOM 1513 C LEU A 99 9.757 10.082 5.527 1.00 0.00 C ATOM 1514 O LEU A 99 10.458 9.196 6.009 1.00 0.00 O ATOM 1515 CB LEU A 99 8.808 9.034 3.483 1.00 0.00 C ATOM 1516 CG LEU A 99 8.500 9.086 1.974 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.849 7.765 1.574 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.614 10.283 1.620 1.00 0.00 C ATOM 0 H LEU A 99 11.616 9.589 3.960 1.00 0.00 H new ATOM 0 HA LEU A 99 9.149 11.159 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.344 8.109 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.866 8.991 4.030 1.00 0.00 H new ATOM 0 HG LEU A 99 9.426 9.221 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.622 7.779 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.532 6.943 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.927 7.628 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.418 10.286 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.670 10.210 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.121 11.206 1.899 1.00 0.00 H new ATOM 1530 N HIS A 100 9.038 10.925 6.272 1.00 0.00 N ATOM 1531 CA HIS A 100 9.059 10.869 7.729 1.00 0.00 C ATOM 1532 C HIS A 100 8.364 9.603 8.247 1.00 0.00 C ATOM 1533 O HIS A 100 8.799 9.000 9.230 1.00 0.00 O ATOM 1534 CB HIS A 100 8.408 12.131 8.310 1.00 0.00 C ATOM 1535 CG HIS A 100 8.264 12.086 9.811 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.089 11.873 10.494 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.269 12.188 10.734 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.372 11.861 11.806 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.686 12.084 12.007 1.00 0.00 N ATOM 0 H HIS A 100 8.436 11.653 5.887 1.00 0.00 H new ATOM 0 HA HIS A 100 10.097 10.827 8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.005 13.000 8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.424 12.265 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.319 12.324 10.522 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.648 11.696 12.591 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.162 12.162 12.906 1.00 0.00 H new ATOM 1547 N SER A 101 7.261 9.217 7.608 1.00 0.00 N ATOM 1548 CA SER A 101 6.499 8.014 7.903 1.00 0.00 C ATOM 1549 C SER A 101 5.558 7.721 6.727 1.00 0.00 C ATOM 1550 O SER A 101 5.598 8.388 5.692 1.00 0.00 O ATOM 1551 CB SER A 101 5.741 8.169 9.231 1.00 0.00 C ATOM 1552 OG SER A 101 5.364 6.904 9.758 1.00 0.00 O ATOM 0 H SER A 101 6.861 9.758 6.841 1.00 0.00 H new ATOM 0 HA SER A 101 7.171 7.164 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.368 8.694 9.952 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.852 8.781 9.076 1.00 0.00 H new ATOM 0 HG SER A 101 4.885 7.031 10.603 1.00 0.00 H new ATOM 1558 N VAL A 102 4.703 6.716 6.896 1.00 0.00 N ATOM 1559 CA VAL A 102 3.770 6.220 5.896 1.00 0.00 C ATOM 1560 C VAL A 102 2.774 7.303 5.468 1.00 0.00 C ATOM 1561 O VAL A 102 2.427 7.370 4.290 1.00 0.00 O ATOM 1562 CB VAL A 102 3.063 4.976 6.469 1.00 0.00 C ATOM 1563 CG1 VAL A 102 2.024 4.429 5.490 1.00 0.00 C ATOM 1564 CG2 VAL A 102 4.086 3.874 6.791 1.00 0.00 C ATOM 0 H VAL A 102 4.641 6.203 7.776 1.00 0.00 H new ATOM 0 HA VAL A 102 4.312 5.941 4.992 1.00 0.00 H new ATOM 0 HB VAL A 102 2.556 5.281 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.543 3.552 5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.273 5.194 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.514 4.151 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.568 3.004 7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.615 3.592 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.800 4.244 7.526 1.00 0.00 H new ATOM 1574 N MET A 103 2.307 8.153 6.389 1.00 0.00 N ATOM 1575 CA MET A 103 1.401 9.247 6.045 1.00 0.00 C ATOM 1576 C MET A 103 2.039 10.152 4.995 1.00 0.00 C ATOM 1577 O MET A 103 1.405 10.483 3.992 1.00 0.00 O ATOM 1578 CB MET A 103 1.033 10.047 7.300 1.00 0.00 C ATOM 1579 CG MET A 103 0.374 11.384 6.927 1.00 0.00 C ATOM 1580 SD MET A 103 -0.762 12.016 8.165 1.00 0.00 S ATOM 1581 CE MET A 103 -2.211 11.036 7.690 1.00 0.00 C ATOM 0 H MET A 103 2.544 8.101 7.380 1.00 0.00 H new ATOM 0 HA MET A 103 0.487 8.827 5.626 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.354 9.463 7.921 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.928 10.232 7.893 1.00 0.00 H new ATOM 0 HG2 MET A 103 1.154 12.125 6.754 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.163 11.262 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.046 11.280 8.346 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.482 11.263 6.659 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.978 9.975 7.779 1.00 0.00 H new ATOM 1591 N ASP A 104 3.289 10.530 5.246 1.00 0.00 N ATOM 1592 CA ASP A 104 4.088 11.425 4.421 1.00 0.00 C ATOM 1593 C ASP A 104 4.138 10.914 2.981 1.00 0.00 C ATOM 1594 O ASP A 104 3.959 11.677 2.031 1.00 0.00 O ATOM 1595 CB ASP A 104 5.491 11.496 5.032 1.00 0.00 C ATOM 1596 CG ASP A 104 6.218 12.777 4.670 1.00 0.00 C ATOM 1597 OD1 ASP A 104 6.664 12.932 3.513 1.00 0.00 O ATOM 1598 OD2 ASP A 104 6.477 13.585 5.585 1.00 0.00 O ATOM 0 H ASP A 104 3.795 10.204 6.070 1.00 0.00 H new ATOM 0 HA ASP A 104 3.647 12.421 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.416 11.419 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.076 10.641 4.691 1.00 0.00 H new ATOM 1603 N ALA A 105 4.291 9.592 2.838 1.00 0.00 N ATOM 1604 CA ALA A 105 4.322 8.886 1.562 1.00 0.00 C ATOM 1605 C ALA A 105 3.089 9.188 0.719 1.00 0.00 C ATOM 1606 O ALA A 105 3.200 9.465 -0.471 1.00 0.00 O ATOM 1607 CB ALA A 105 4.419 7.370 1.800 1.00 0.00 C ATOM 0 H ALA A 105 4.400 8.968 3.637 1.00 0.00 H new ATOM 0 HA ALA A 105 5.200 9.233 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.441 6.852 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.330 7.146 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.554 7.036 2.373 1.00 0.00 H new ATOM 1613 N ILE A 106 1.907 9.104 1.322 1.00 0.00 N ATOM 1614 CA ILE A 106 0.649 9.291 0.617 1.00 0.00 C ATOM 1615 C ILE A 106 0.600 10.710 0.047 1.00 0.00 C ATOM 1616 O ILE A 106 0.177 10.885 -1.095 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.514 9.018 1.589 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.449 7.604 2.197 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.901 9.261 0.978 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.643 6.450 1.208 1.00 0.00 C ATOM 0 H ILE A 106 1.797 8.904 2.316 1.00 0.00 H new ATOM 0 HA ILE A 106 0.562 8.594 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.381 9.749 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.518 7.482 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.210 7.526 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.669 9.048 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.982 10.301 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.039 8.607 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.579 5.501 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.622 6.536 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.133 6.491 0.444 1.00 0.00 H new ATOM 1632 N ASP A 107 1.006 11.713 0.834 1.00 0.00 N ATOM 1633 CA ASP A 107 1.038 13.107 0.392 1.00 0.00 C ATOM 1634 C ASP A 107 2.102 13.327 -0.680 1.00 0.00 C ATOM 1635 O ASP A 107 1.874 14.134 -1.582 1.00 0.00 O ATOM 1636 CB ASP A 107 1.244 14.069 1.559 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.078 14.616 2.098 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -0.812 15.322 1.372 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.430 14.249 3.244 1.00 0.00 O ATOM 0 H ASP A 107 1.321 11.578 1.795 1.00 0.00 H new ATOM 0 HA ASP A 107 0.063 13.322 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.777 13.557 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.874 14.898 1.237 1.00 0.00 H new ATOM 1644 N PHE A 108 3.237 12.622 -0.609 1.00 0.00 N ATOM 1645 CA PHE A 108 4.283 12.660 -1.625 1.00 0.00 C ATOM 1646 C PHE A 108 3.712 12.187 -2.960 1.00 0.00 C ATOM 1647 O PHE A 108 3.584 12.997 -3.872 1.00 0.00 O ATOM 1648 CB PHE A 108 5.515 11.840 -1.198 1.00 0.00 C ATOM 1649 CG PHE A 108 6.632 11.831 -2.232 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.152 13.040 -2.735 1.00 0.00 C ATOM 1651 CD2 PHE A 108 7.119 10.610 -2.738 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.128 13.026 -3.746 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.108 10.597 -3.737 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.612 11.806 -4.246 1.00 0.00 C ATOM 0 H PHE A 108 3.453 12.001 0.170 1.00 0.00 H new ATOM 0 HA PHE A 108 4.628 13.687 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.902 12.243 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.207 10.813 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.799 13.982 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.730 9.678 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.507 13.957 -4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.481 9.656 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.368 11.797 -5.018 1.00 0.00 H new ATOM 1664 N LEU A 109 3.311 10.912 -3.062 1.00 0.00 N ATOM 1665 CA LEU A 109 2.712 10.312 -4.245 1.00 0.00 C ATOM 1666 C LEU A 109 1.588 11.181 -4.815 1.00 0.00 C ATOM 1667 O LEU A 109 1.608 11.501 -6.000 1.00 0.00 O ATOM 1668 CB LEU A 109 2.211 8.898 -3.902 1.00 0.00 C ATOM 1669 CG LEU A 109 3.324 7.830 -3.897 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.290 7.795 -2.716 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.694 6.438 -3.986 1.00 0.00 C ATOM 0 H LEU A 109 3.402 10.252 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 109 3.472 10.240 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.735 8.919 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.445 8.609 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 109 3.928 8.120 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.012 6.991 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.816 8.747 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.733 7.622 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.479 5.682 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.036 6.281 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.117 6.358 -4.908 1.00 0.00 H new ATOM 1683 N ASN A 110 0.641 11.618 -3.978 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.477 12.423 -4.470 1.00 0.00 C ATOM 1685 C ASN A 110 -0.026 13.781 -4.998 1.00 0.00 C ATOM 1686 O ASN A 110 -0.669 14.307 -5.906 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.558 12.621 -3.393 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.528 11.454 -3.314 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.581 11.471 -3.940 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.227 10.426 -2.541 1.00 0.00 N ATOM 0 H ASN A 110 0.627 11.431 -2.975 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.906 11.860 -5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.079 12.756 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.112 13.535 -3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.873 9.640 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.349 10.418 -2.022 1.00 0.00 H new ATOM 1697 N ALA A 111 1.037 14.370 -4.440 1.00 0.00 N ATOM 1698 CA ALA A 111 1.569 15.633 -4.927 1.00 0.00 C ATOM 1699 C ALA A 111 2.356 15.441 -6.219 1.00 0.00 C ATOM 1700 O ALA A 111 2.427 16.389 -6.997 1.00 0.00 O ATOM 1701 CB ALA A 111 2.471 16.284 -3.873 1.00 0.00 C ATOM 0 H ALA A 111 1.545 13.983 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 111 0.721 16.287 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.858 17.227 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.895 16.471 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.302 15.617 -3.644 1.00 0.00 H new ATOM 1707 N LEU A 112 2.945 14.266 -6.460 1.00 0.00 N ATOM 1708 CA LEU A 112 3.714 13.994 -7.667 1.00 0.00 C ATOM 1709 C LEU A 112 2.786 14.086 -8.871 1.00 0.00 C ATOM 1710 O LEU A 112 2.956 14.977 -9.699 1.00 0.00 O ATOM 1711 CB LEU A 112 4.397 12.615 -7.608 1.00 0.00 C ATOM 1712 CG LEU A 112 5.616 12.526 -6.668 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.989 11.056 -6.435 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.806 13.300 -7.241 1.00 0.00 C ATOM 0 H LEU A 112 2.898 13.476 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 112 4.508 14.736 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.661 11.876 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.714 12.341 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 112 5.352 12.979 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.851 11.000 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.146 10.534 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.235 10.588 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.653 13.222 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.080 12.882 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.534 14.348 -7.362 1.00 0.00 H new ATOM 1726 N GLU A 113 1.802 13.186 -8.950 1.00 0.00 N ATOM 1727 CA GLU A 113 0.952 12.947 -10.100 1.00 0.00 C ATOM 1728 C GLU A 113 1.767 12.899 -11.400 1.00 0.00 C ATOM 1729 O GLU A 113 1.493 13.590 -12.388 1.00 0.00 O ATOM 1730 CB GLU A 113 -0.201 13.943 -10.093 1.00 0.00 C ATOM 1731 CG GLU A 113 -1.430 13.321 -10.775 1.00 0.00 C ATOM 1732 CD GLU A 113 -2.323 14.296 -11.560 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -1.817 15.306 -12.110 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -3.537 14.030 -11.706 1.00 0.00 O ATOM 0 H GLU A 113 1.572 12.576 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 113 0.499 11.958 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.445 14.223 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.092 14.856 -10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.089 12.541 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.038 12.834 -10.012 1.00 0.00 H new ATOM 1741 N GLY A 114 2.813 12.084 -11.357 1.00 0.00 N ATOM 1742 CA GLY A 114 3.584 11.673 -12.509 1.00 0.00 C ATOM 1743 C GLY A 114 2.834 10.572 -13.230 1.00 0.00 C ATOM 1744 O GLY A 114 2.545 10.726 -14.425 1.00 0.00 O ATOM 0 H GLY A 114 3.155 11.680 -10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.746 12.519 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.567 11.319 -12.199 1.00 0.00 H new TER 1748 GLY A 114