USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 990 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 47 SER OG : rot 104:sc= -0.0612 USER MOD Set 1.2: A 113 CYS SG : rot 6:sc= -0.179 USER MOD Set 2.1: A 50 ASN : amide:sc= -2.33 K(o=-1.6,f=-7.7!) USER MOD Set 2.2: A 52 THR OG1 : rot 87:sc= 0.727 USER MOD Set 3.1: A 16 ASN : amide:sc= -1.66 K(o=-1.7,f=-12!) USER MOD Set 3.2: A 94 TYR OH : rot 150:sc= -0.0737 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.093 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.0779 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0482 (180deg=-0.322) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -1.62! (180deg=-2.21!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 35:sc= 0.316 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -4.19 K(o=-4.2,f=-8.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -2.75 X(o=-2.7,f=-2.3) USER MOD Single : A 45 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.065) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.925 K(o=-0.93,f=-2.8!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -50:sc= -1.2 USER MOD Single : A 80 MET CE :methyl -143:sc= -2.73 (180deg=-2.79!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -84:sc= 0.511 USER MOD Single : A 92 SER OG : rot -92:sc= 0.0924 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 58:sc= -0.157 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.708 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 137:sc= 1.1 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.137 F(o=-0.67,f=-0.14) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.056 -17.406 -7.809 1.00 0.00 N ATOM 2 CA GLY A 1 -11.891 -17.913 -6.736 1.00 0.00 C ATOM 3 C GLY A 1 -11.086 -18.595 -5.648 1.00 0.00 C ATOM 4 O GLY A 1 -9.858 -18.516 -5.633 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.254 -16.396 -7.955 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.054 -17.529 -7.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.260 -17.929 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.459 -17.090 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.614 -18.619 -7.145 1.00 0.00 H new ATOM 8 N SER A 2 -11.779 -19.266 -4.733 1.00 0.00 N ATOM 9 CA SER A 2 -11.121 -19.960 -3.633 1.00 0.00 C ATOM 10 C SER A 2 -10.741 -21.382 -4.037 1.00 0.00 C ATOM 11 O SER A 2 -11.500 -22.068 -4.721 1.00 0.00 O ATOM 12 CB SER A 2 -12.032 -19.993 -2.405 1.00 0.00 C ATOM 13 OG SER A 2 -13.210 -20.737 -2.664 1.00 0.00 O ATOM 0 H SER A 2 -12.796 -19.343 -4.732 1.00 0.00 H new ATOM 0 HA SER A 2 -10.210 -19.415 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.497 -20.434 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.297 -18.976 -2.117 1.00 0.00 H new ATOM 0 HG SER A 2 -13.775 -20.745 -1.863 1.00 0.00 H new ATOM 19 N SER A 3 -9.560 -21.817 -3.609 1.00 0.00 N ATOM 20 CA SER A 3 -9.076 -23.155 -3.928 1.00 0.00 C ATOM 21 C SER A 3 -9.432 -24.140 -2.819 1.00 0.00 C ATOM 22 O SER A 3 -9.963 -25.220 -3.079 1.00 0.00 O ATOM 23 CB SER A 3 -7.562 -23.135 -4.142 1.00 0.00 C ATOM 24 OG SER A 3 -7.071 -24.432 -4.433 1.00 0.00 O ATOM 0 H SER A 3 -8.921 -21.262 -3.040 1.00 0.00 H new ATOM 0 HA SER A 3 -9.561 -23.480 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.316 -22.458 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.070 -22.748 -3.249 1.00 0.00 H new ATOM 0 HG SER A 3 -6.101 -24.392 -4.567 1.00 0.00 H new ATOM 30 N GLY A 4 -9.136 -23.760 -1.580 1.00 0.00 N ATOM 31 CA GLY A 4 -9.431 -24.620 -0.449 1.00 0.00 C ATOM 32 C GLY A 4 -9.212 -23.926 0.880 1.00 0.00 C ATOM 33 O GLY A 4 -10.150 -23.751 1.659 1.00 0.00 O ATOM 0 H GLY A 4 -8.697 -22.871 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.466 -24.957 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.802 -25.509 -0.499 1.00 0.00 H new ATOM 37 N SER A 5 -7.971 -23.529 1.142 1.00 0.00 N ATOM 38 CA SER A 5 -7.631 -22.855 2.389 1.00 0.00 C ATOM 39 C SER A 5 -7.597 -21.342 2.197 1.00 0.00 C ATOM 40 O SER A 5 -6.946 -20.835 1.283 1.00 0.00 O ATOM 41 CB SER A 5 -6.277 -23.345 2.906 1.00 0.00 C ATOM 42 OG SER A 5 -5.265 -23.170 1.930 1.00 0.00 O ATOM 0 H SER A 5 -7.184 -23.663 0.507 1.00 0.00 H new ATOM 0 HA SER A 5 -8.400 -23.094 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.011 -22.800 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.347 -24.398 3.177 1.00 0.00 H new ATOM 0 HG SER A 5 -5.434 -22.346 1.428 1.00 0.00 H new ATOM 48 N SER A 6 -8.303 -20.625 3.066 1.00 0.00 N ATOM 49 CA SER A 6 -8.358 -19.170 2.990 1.00 0.00 C ATOM 50 C SER A 6 -7.809 -18.539 4.267 1.00 0.00 C ATOM 51 O SER A 6 -6.952 -17.657 4.218 1.00 0.00 O ATOM 52 CB SER A 6 -9.796 -18.704 2.755 1.00 0.00 C ATOM 53 OG SER A 6 -9.909 -17.300 2.907 1.00 0.00 O ATOM 0 H SER A 6 -8.845 -21.028 3.831 1.00 0.00 H new ATOM 0 HA SER A 6 -7.739 -18.851 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.115 -18.991 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.463 -19.204 3.458 1.00 0.00 H new ATOM 0 HG SER A 6 -10.837 -17.028 2.750 1.00 0.00 H new ATOM 59 N GLY A 7 -8.312 -18.997 5.409 1.00 0.00 N ATOM 60 CA GLY A 7 -7.861 -18.467 6.683 1.00 0.00 C ATOM 61 C GLY A 7 -8.480 -17.120 7.002 1.00 0.00 C ATOM 62 O GLY A 7 -8.878 -16.384 6.099 1.00 0.00 O ATOM 0 H GLY A 7 -9.023 -19.725 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.108 -19.174 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.775 -18.371 6.669 1.00 0.00 H new ATOM 66 N GLU A 8 -8.562 -16.798 8.289 1.00 0.00 N ATOM 67 CA GLU A 8 -9.139 -15.531 8.723 1.00 0.00 C ATOM 68 C GLU A 8 -8.054 -14.584 9.229 1.00 0.00 C ATOM 69 O GLU A 8 -8.242 -13.886 10.225 1.00 0.00 O ATOM 70 CB GLU A 8 -10.177 -15.769 9.822 1.00 0.00 C ATOM 71 CG GLU A 8 -11.572 -16.053 9.289 1.00 0.00 C ATOM 72 CD GLU A 8 -11.771 -17.510 8.922 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.735 -18.363 9.833 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.962 -17.798 7.722 1.00 0.00 O ATOM 0 H GLU A 8 -8.237 -17.396 9.048 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.628 -15.070 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.855 -16.608 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.216 -14.893 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.309 -15.768 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.755 -15.433 8.411 1.00 0.00 H new ATOM 81 N GLU A 9 -6.920 -14.568 8.536 1.00 0.00 N ATOM 82 CA GLU A 9 -5.806 -13.708 8.916 1.00 0.00 C ATOM 83 C GLU A 9 -5.526 -12.670 7.834 1.00 0.00 C ATOM 84 O GLU A 9 -5.245 -11.509 8.131 1.00 0.00 O ATOM 85 CB GLU A 9 -4.551 -14.546 9.172 1.00 0.00 C ATOM 86 CG GLU A 9 -4.755 -15.651 10.195 1.00 0.00 C ATOM 87 CD GLU A 9 -3.842 -16.839 9.960 1.00 0.00 C ATOM 88 OE1 GLU A 9 -2.610 -16.675 10.081 1.00 0.00 O ATOM 89 OE2 GLU A 9 -4.361 -17.933 9.654 1.00 0.00 O ATOM 0 H GLU A 9 -6.749 -15.140 7.709 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.079 -13.186 9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.222 -14.989 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.750 -13.890 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.578 -15.253 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.793 -15.983 10.164 1.00 0.00 H new ATOM 96 N TRP A 10 -5.604 -13.097 6.579 1.00 0.00 N ATOM 97 CA TRP A 10 -5.358 -12.205 5.451 1.00 0.00 C ATOM 98 C TRP A 10 -6.409 -12.399 4.364 1.00 0.00 C ATOM 99 O TRP A 10 -7.157 -13.378 4.377 1.00 0.00 O ATOM 100 CB TRP A 10 -3.962 -12.448 4.877 1.00 0.00 C ATOM 101 CG TRP A 10 -2.860 -11.953 5.765 1.00 0.00 C ATOM 102 CD1 TRP A 10 -2.356 -12.577 6.870 1.00 0.00 C ATOM 103 CD2 TRP A 10 -2.128 -10.731 5.622 1.00 0.00 C ATOM 104 NE1 TRP A 10 -1.355 -11.815 7.424 1.00 0.00 N ATOM 105 CE2 TRP A 10 -1.195 -10.678 6.676 1.00 0.00 C ATOM 106 CE3 TRP A 10 -2.169 -9.676 4.706 1.00 0.00 C ATOM 107 CZ2 TRP A 10 -0.314 -9.613 6.837 1.00 0.00 C ATOM 108 CZ3 TRP A 10 -1.293 -8.620 4.868 1.00 0.00 C ATOM 109 CH2 TRP A 10 -0.375 -8.594 5.926 1.00 0.00 C ATOM 0 H TRP A 10 -5.836 -14.055 6.316 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.421 -11.178 5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.828 -13.516 4.705 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.885 -11.957 3.907 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -2.694 -13.529 7.252 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.818 -12.057 8.257 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.873 -9.686 3.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.393 -9.592 7.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.316 -7.799 4.166 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.297 -7.754 6.024 1.00 0.00 H new ATOM 120 N LEU A 11 -6.462 -11.463 3.424 1.00 0.00 N ATOM 121 CA LEU A 11 -7.422 -11.532 2.328 1.00 0.00 C ATOM 122 C LEU A 11 -6.709 -11.580 0.980 1.00 0.00 C ATOM 123 O LEU A 11 -5.881 -10.722 0.674 1.00 0.00 O ATOM 124 CB LEU A 11 -8.366 -10.329 2.374 1.00 0.00 C ATOM 125 CG LEU A 11 -9.168 -10.055 1.101 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.496 -9.395 1.438 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.366 -9.186 0.143 1.00 0.00 C ATOM 0 H LEU A 11 -5.851 -10.647 3.398 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.002 -12.447 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.066 -10.474 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.779 -9.441 2.608 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.373 -11.007 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.053 -9.208 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.075 -10.053 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.313 -8.451 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.952 -9.001 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.130 -8.237 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.441 -9.697 -0.124 1.00 0.00 H new ATOM 139 N ASP A 12 -7.036 -12.589 0.180 1.00 0.00 N ATOM 140 CA ASP A 12 -6.429 -12.748 -1.137 1.00 0.00 C ATOM 141 C ASP A 12 -7.102 -11.837 -2.159 1.00 0.00 C ATOM 142 O ASP A 12 -8.188 -12.140 -2.654 1.00 0.00 O ATOM 143 CB ASP A 12 -6.522 -14.205 -1.592 1.00 0.00 C ATOM 144 CG ASP A 12 -7.844 -14.845 -1.216 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.847 -14.110 -1.098 1.00 0.00 O ATOM 146 OD2 ASP A 12 -7.876 -16.081 -1.040 1.00 0.00 O ATOM 0 H ASP A 12 -7.718 -13.309 0.420 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.379 -12.466 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.392 -14.254 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.706 -14.775 -1.147 1.00 0.00 H new ATOM 151 N ILE A 13 -6.450 -10.722 -2.470 1.00 0.00 N ATOM 152 CA ILE A 13 -6.986 -9.768 -3.433 1.00 0.00 C ATOM 153 C ILE A 13 -7.052 -10.376 -4.830 1.00 0.00 C ATOM 154 O ILE A 13 -8.043 -10.212 -5.544 1.00 0.00 O ATOM 155 CB ILE A 13 -6.139 -8.483 -3.484 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.165 -7.775 -2.128 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.645 -7.558 -4.580 1.00 0.00 C ATOM 158 CD1 ILE A 13 -4.953 -6.905 -1.877 1.00 0.00 C ATOM 0 H ILE A 13 -5.550 -10.457 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.993 -9.516 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.108 -8.754 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.063 -7.160 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.235 -8.523 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.036 -6.654 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.579 -8.065 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.683 -7.291 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.039 -6.435 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.052 -7.518 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.893 -6.134 -2.646 1.00 0.00 H new ATOM 170 N LEU A 14 -5.993 -11.079 -5.214 1.00 0.00 N ATOM 171 CA LEU A 14 -5.930 -11.714 -6.526 1.00 0.00 C ATOM 172 C LEU A 14 -6.445 -13.148 -6.461 1.00 0.00 C ATOM 173 O LEU A 14 -6.934 -13.688 -7.453 1.00 0.00 O ATOM 174 CB LEU A 14 -4.494 -11.698 -7.054 1.00 0.00 C ATOM 175 CG LEU A 14 -3.838 -10.323 -7.173 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.323 -10.448 -7.120 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.274 -9.633 -8.457 1.00 0.00 C ATOM 0 H LEU A 14 -5.166 -11.224 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.567 -11.149 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.880 -12.316 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.484 -12.169 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.161 -9.713 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.873 -9.459 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.028 -10.900 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.981 -11.075 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.797 -8.655 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.981 -10.240 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.357 -9.509 -8.454 1.00 0.00 H new ATOM 189 N GLY A 15 -6.333 -13.760 -5.286 1.00 0.00 N ATOM 190 CA GLY A 15 -6.793 -15.125 -5.113 1.00 0.00 C ATOM 191 C GLY A 15 -5.653 -16.125 -5.102 1.00 0.00 C ATOM 192 O GLY A 15 -5.713 -17.136 -4.405 1.00 0.00 O ATOM 0 H GLY A 15 -5.932 -13.334 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.349 -15.202 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.485 -15.376 -5.917 1.00 0.00 H new ATOM 196 N ASN A 16 -4.612 -15.841 -5.878 1.00 0.00 N ATOM 197 CA ASN A 16 -3.454 -16.724 -5.956 1.00 0.00 C ATOM 198 C ASN A 16 -2.820 -16.913 -4.581 1.00 0.00 C ATOM 199 O ASN A 16 -2.469 -18.028 -4.196 1.00 0.00 O ATOM 200 CB ASN A 16 -2.421 -16.159 -6.933 1.00 0.00 C ATOM 201 CG ASN A 16 -2.200 -14.670 -6.744 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.690 -14.075 -5.784 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.461 -14.060 -7.663 1.00 0.00 N ATOM 0 H ASN A 16 -4.547 -15.007 -6.461 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.793 -17.695 -6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.475 -16.684 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.750 -16.348 -7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.280 -13.059 -7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.074 -14.592 -8.442 1.00 0.00 H new ATOM 210 N GLY A 17 -2.678 -15.815 -3.844 1.00 0.00 N ATOM 211 CA GLY A 17 -2.088 -15.882 -2.521 1.00 0.00 C ATOM 212 C GLY A 17 -0.922 -14.928 -2.357 1.00 0.00 C ATOM 213 O GLY A 17 -0.483 -14.657 -1.239 1.00 0.00 O ATOM 0 H GLY A 17 -2.961 -14.881 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.849 -15.652 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.750 -16.900 -2.328 1.00 0.00 H new ATOM 217 N LEU A 18 -0.416 -14.417 -3.475 1.00 0.00 N ATOM 218 CA LEU A 18 0.708 -13.488 -3.451 1.00 0.00 C ATOM 219 C LEU A 18 0.308 -12.165 -2.807 1.00 0.00 C ATOM 220 O LEU A 18 0.799 -11.811 -1.734 1.00 0.00 O ATOM 221 CB LEU A 18 1.222 -13.243 -4.871 1.00 0.00 C ATOM 222 CG LEU A 18 2.234 -14.258 -5.404 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.388 -14.424 -4.428 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.558 -15.596 -5.666 1.00 0.00 C ATOM 0 H LEU A 18 -0.767 -14.631 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 18 1.504 -13.934 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.367 -13.223 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.678 -12.254 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 18 2.634 -13.884 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.098 -15.150 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.888 -13.466 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.006 -14.776 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.292 -16.307 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.131 -15.976 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.766 -15.465 -6.403 1.00 0.00 H new ATOM 236 N LEU A 19 -0.587 -11.438 -3.467 1.00 0.00 N ATOM 237 CA LEU A 19 -1.056 -10.154 -2.958 1.00 0.00 C ATOM 238 C LEU A 19 -2.184 -10.347 -1.949 1.00 0.00 C ATOM 239 O LEU A 19 -3.274 -10.797 -2.302 1.00 0.00 O ATOM 240 CB LEU A 19 -1.533 -9.270 -4.111 1.00 0.00 C ATOM 241 CG LEU A 19 -2.084 -7.898 -3.721 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.007 -7.061 -3.049 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.637 -7.178 -4.942 1.00 0.00 C ATOM 0 H LEU A 19 -1.003 -11.716 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.223 -9.665 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.700 -9.123 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.307 -9.808 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.898 -8.044 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.418 -6.088 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.658 -7.570 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.172 -6.924 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.025 -6.203 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.843 -7.044 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.440 -7.770 -5.381 1.00 0.00 H new ATOM 255 N ARG A 20 -1.914 -10.002 -0.695 1.00 0.00 N ATOM 256 CA ARG A 20 -2.906 -10.137 0.365 1.00 0.00 C ATOM 257 C ARG A 20 -3.200 -8.785 1.010 1.00 0.00 C ATOM 258 O ARG A 20 -2.541 -7.788 0.715 1.00 0.00 O ATOM 259 CB ARG A 20 -2.420 -11.125 1.426 1.00 0.00 C ATOM 260 CG ARG A 20 -2.448 -12.574 0.967 1.00 0.00 C ATOM 261 CD ARG A 20 -1.435 -13.418 1.724 1.00 0.00 C ATOM 262 NE ARG A 20 -1.858 -14.811 1.838 1.00 0.00 N ATOM 263 CZ ARG A 20 -1.349 -15.665 2.720 1.00 0.00 C ATOM 264 NH1 ARG A 20 -0.404 -15.269 3.560 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.787 -16.917 2.762 1.00 0.00 N ATOM 0 H ARG A 20 -1.017 -9.627 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.826 -10.516 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.402 -10.864 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.040 -11.023 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.447 -12.984 1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.238 -12.622 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.472 -13.372 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.289 -13.001 2.720 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.584 -15.147 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.066 -14.307 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.015 -15.926 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.515 -17.225 2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.396 -17.572 3.439 1.00 0.00 H new ATOM 279 N LYS A 21 -4.193 -8.760 1.891 1.00 0.00 N ATOM 280 CA LYS A 21 -4.575 -7.532 2.579 1.00 0.00 C ATOM 281 C LYS A 21 -4.982 -7.820 4.021 1.00 0.00 C ATOM 282 O LYS A 21 -5.735 -8.756 4.289 1.00 0.00 O ATOM 283 CB LYS A 21 -5.726 -6.846 1.841 1.00 0.00 C ATOM 284 CG LYS A 21 -5.746 -5.337 2.013 1.00 0.00 C ATOM 285 CD LYS A 21 -6.845 -4.695 1.183 1.00 0.00 C ATOM 286 CE LYS A 21 -8.223 -5.010 1.743 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.421 -4.418 3.095 1.00 0.00 N ATOM 0 H LYS A 21 -4.749 -9.576 2.146 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.711 -6.868 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.657 -7.081 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.671 -7.256 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.893 -5.092 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.780 -4.924 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.700 -3.615 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.780 -5.049 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.986 -4.629 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.355 -6.091 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.437 -4.384 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.933 -5.002 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.031 -3.454 3.112 1.00 0.00 H new ATOM 301 N LYS A 22 -4.480 -7.009 4.946 1.00 0.00 N ATOM 302 CA LYS A 22 -4.793 -7.174 6.360 1.00 0.00 C ATOM 303 C LYS A 22 -5.183 -5.841 6.991 1.00 0.00 C ATOM 304 O LYS A 22 -4.337 -4.972 7.205 1.00 0.00 O ATOM 305 CB LYS A 22 -3.594 -7.770 7.103 1.00 0.00 C ATOM 306 CG LYS A 22 -3.901 -8.162 8.537 1.00 0.00 C ATOM 307 CD LYS A 22 -2.635 -8.498 9.307 1.00 0.00 C ATOM 308 CE LYS A 22 -2.041 -7.264 9.968 1.00 0.00 C ATOM 309 NZ LYS A 22 -2.702 -6.958 11.267 1.00 0.00 N ATOM 0 H LYS A 22 -3.854 -6.230 4.741 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.639 -7.856 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.242 -8.649 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.779 -7.046 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.424 -7.345 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.571 -9.021 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.858 -9.247 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.902 -8.938 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.974 -7.417 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.142 -6.409 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.088 -6.336 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.610 -6.482 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.871 -7.842 11.788 1.00 0.00 H new ATOM 323 N THR A 23 -6.469 -5.685 7.287 1.00 0.00 N ATOM 324 CA THR A 23 -6.971 -4.459 7.893 1.00 0.00 C ATOM 325 C THR A 23 -6.387 -4.254 9.286 1.00 0.00 C ATOM 326 O THR A 23 -6.782 -4.924 10.241 1.00 0.00 O ATOM 327 CB THR A 23 -8.509 -4.468 7.990 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.082 -4.578 6.683 1.00 0.00 O ATOM 329 CG2 THR A 23 -9.016 -3.205 8.668 1.00 0.00 C ATOM 0 H THR A 23 -7.183 -6.394 7.117 1.00 0.00 H new ATOM 0 HA THR A 23 -6.660 -3.638 7.247 1.00 0.00 H new ATOM 0 HB THR A 23 -8.808 -5.328 8.590 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.059 -4.585 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.104 -3.234 8.725 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.602 -3.141 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.706 -2.333 8.092 1.00 0.00 H new ATOM 337 N LEU A 24 -5.443 -3.325 9.395 1.00 0.00 N ATOM 338 CA LEU A 24 -4.803 -3.032 10.673 1.00 0.00 C ATOM 339 C LEU A 24 -5.748 -2.261 11.590 1.00 0.00 C ATOM 340 O LEU A 24 -5.867 -2.569 12.776 1.00 0.00 O ATOM 341 CB LEU A 24 -3.521 -2.228 10.451 1.00 0.00 C ATOM 342 CG LEU A 24 -2.440 -2.908 9.610 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.414 -1.891 9.135 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.765 -4.017 10.405 1.00 0.00 C ATOM 0 H LEU A 24 -5.104 -2.762 8.615 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.552 -3.979 11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.786 -1.285 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.096 -1.984 11.424 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.914 -3.352 8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.653 -2.394 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.908 -1.132 8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.945 -1.418 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.999 -4.490 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.305 -3.596 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.507 -4.760 10.695 1.00 0.00 H new ATOM 356 N VAL A 25 -6.418 -1.258 11.033 1.00 0.00 N ATOM 357 CA VAL A 25 -7.355 -0.445 11.799 1.00 0.00 C ATOM 358 C VAL A 25 -8.504 0.043 10.924 1.00 0.00 C ATOM 359 O VAL A 25 -8.317 0.822 9.989 1.00 0.00 O ATOM 360 CB VAL A 25 -6.654 0.772 12.432 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.655 1.631 13.189 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.527 0.321 13.348 1.00 0.00 C ATOM 0 H VAL A 25 -6.329 -0.989 10.053 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.751 -1.081 12.591 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.223 1.376 11.634 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.141 2.486 13.629 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.424 1.984 12.502 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.118 1.040 13.979 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.043 1.194 13.786 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.932 -0.306 14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.797 -0.248 12.773 1.00 0.00 H new ATOM 372 N PRO A 26 -9.722 -0.425 11.232 1.00 0.00 N ATOM 373 CA PRO A 26 -10.927 -0.050 10.486 1.00 0.00 C ATOM 374 C PRO A 26 -11.320 1.406 10.715 1.00 0.00 C ATOM 375 O PRO A 26 -11.114 1.951 11.798 1.00 0.00 O ATOM 376 CB PRO A 26 -11.998 -0.988 11.046 1.00 0.00 C ATOM 377 CG PRO A 26 -11.520 -1.336 12.413 1.00 0.00 C ATOM 378 CD PRO A 26 -10.018 -1.357 12.333 1.00 0.00 C ATOM 0 HA PRO A 26 -10.784 -0.140 9.409 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.972 -0.501 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.108 -1.878 10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.862 -0.604 13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.908 -2.305 12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.561 -1.032 13.268 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.641 -2.358 12.124 1.00 0.00 H new ATOM 386 N GLY A 27 -11.889 2.029 9.688 1.00 0.00 N ATOM 387 CA GLY A 27 -12.303 3.416 9.798 1.00 0.00 C ATOM 388 C GLY A 27 -13.720 3.558 10.319 1.00 0.00 C ATOM 389 O GLY A 27 -14.399 2.574 10.610 1.00 0.00 O ATOM 0 H GLY A 27 -12.071 1.598 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.620 3.944 10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.229 3.893 8.821 1.00 0.00 H new ATOM 393 N PRO A 28 -14.185 4.810 10.444 1.00 0.00 N ATOM 394 CA PRO A 28 -15.534 5.108 10.935 1.00 0.00 C ATOM 395 C PRO A 28 -16.615 4.701 9.940 1.00 0.00 C ATOM 396 O PRO A 28 -16.341 4.381 8.784 1.00 0.00 O ATOM 397 CB PRO A 28 -15.518 6.628 11.115 1.00 0.00 C ATOM 398 CG PRO A 28 -14.475 7.111 10.168 1.00 0.00 C ATOM 399 CD PRO A 28 -13.430 6.031 10.116 1.00 0.00 C ATOM 0 HA PRO A 28 -15.766 4.559 11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.491 7.064 10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.278 6.902 12.142 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.899 7.292 9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.046 8.053 10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.968 5.966 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.629 6.212 10.832 1.00 0.00 H new ATOM 407 N PRO A 29 -17.876 4.712 10.398 1.00 0.00 N ATOM 408 CA PRO A 29 -19.025 4.347 9.564 1.00 0.00 C ATOM 409 C PRO A 29 -19.306 5.382 8.480 1.00 0.00 C ATOM 410 O PRO A 29 -19.950 5.084 7.475 1.00 0.00 O ATOM 411 CB PRO A 29 -20.184 4.290 10.562 1.00 0.00 C ATOM 412 CG PRO A 29 -19.774 5.195 11.672 1.00 0.00 C ATOM 413 CD PRO A 29 -18.277 5.082 11.766 1.00 0.00 C ATOM 0 HA PRO A 29 -18.859 3.412 9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.116 4.622 10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.348 3.274 10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.076 6.223 11.470 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.247 4.902 12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.822 6.022 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.976 4.326 12.491 1.00 0.00 H new ATOM 421 N GLY A 30 -18.817 6.601 8.690 1.00 0.00 N ATOM 422 CA GLY A 30 -19.025 7.661 7.722 1.00 0.00 C ATOM 423 C GLY A 30 -18.148 7.507 6.495 1.00 0.00 C ATOM 424 O GLY A 30 -18.615 7.661 5.366 1.00 0.00 O ATOM 0 H GLY A 30 -18.280 6.873 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.072 7.670 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.821 8.623 8.192 1.00 0.00 H new ATOM 428 N SER A 31 -16.873 7.204 6.716 1.00 0.00 N ATOM 429 CA SER A 31 -15.927 7.034 5.619 1.00 0.00 C ATOM 430 C SER A 31 -16.477 6.073 4.570 1.00 0.00 C ATOM 431 O SER A 31 -17.445 5.355 4.818 1.00 0.00 O ATOM 432 CB SER A 31 -14.588 6.517 6.148 1.00 0.00 C ATOM 433 OG SER A 31 -14.770 5.721 7.307 1.00 0.00 O ATOM 0 H SER A 31 -16.471 7.071 7.644 1.00 0.00 H new ATOM 0 HA SER A 31 -15.774 8.006 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.090 5.931 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.936 7.359 6.380 1.00 0.00 H new ATOM 0 HG SER A 31 -15.609 5.220 7.232 1.00 0.00 H new ATOM 439 N SER A 32 -15.853 6.067 3.397 1.00 0.00 N ATOM 440 CA SER A 32 -16.282 5.198 2.307 1.00 0.00 C ATOM 441 C SER A 32 -15.200 5.096 1.236 1.00 0.00 C ATOM 442 O SER A 32 -14.613 6.101 0.833 1.00 0.00 O ATOM 443 CB SER A 32 -17.579 5.722 1.689 1.00 0.00 C ATOM 444 OG SER A 32 -17.519 7.124 1.488 1.00 0.00 O ATOM 0 H SER A 32 -15.049 6.654 3.177 1.00 0.00 H new ATOM 0 HA SER A 32 -16.459 4.203 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.760 5.223 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.419 5.481 2.340 1.00 0.00 H new ATOM 0 HG SER A 32 -18.359 7.434 1.090 1.00 0.00 H new ATOM 450 N ARG A 33 -14.942 3.875 0.779 1.00 0.00 N ATOM 451 CA ARG A 33 -13.930 3.640 -0.244 1.00 0.00 C ATOM 452 C ARG A 33 -13.933 4.762 -1.279 1.00 0.00 C ATOM 453 O ARG A 33 -14.982 5.258 -1.690 1.00 0.00 O ATOM 454 CB ARG A 33 -14.174 2.296 -0.933 1.00 0.00 C ATOM 455 CG ARG A 33 -14.002 1.100 -0.011 1.00 0.00 C ATOM 456 CD ARG A 33 -13.840 -0.191 -0.799 1.00 0.00 C ATOM 457 NE ARG A 33 -14.271 -1.357 -0.033 1.00 0.00 N ATOM 458 CZ ARG A 33 -14.357 -2.581 -0.543 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.044 -2.797 -1.813 1.00 0.00 N ATOM 460 NH2 ARG A 33 -14.758 -3.591 0.218 1.00 0.00 N ATOM 0 H ARG A 33 -15.420 3.033 1.101 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.955 3.620 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.184 2.286 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.487 2.198 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.130 1.252 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.867 1.020 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.419 -0.128 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.796 -0.312 -1.086 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.520 -1.225 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.736 -2.023 -2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.111 -3.738 -2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.001 -3.428 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.824 -4.530 -0.174 1.00 0.00 H new ATOM 474 N PRO A 34 -12.731 5.173 -1.710 1.00 0.00 N ATOM 475 CA PRO A 34 -12.568 6.240 -2.702 1.00 0.00 C ATOM 476 C PRO A 34 -13.030 5.815 -4.091 1.00 0.00 C ATOM 477 O PRO A 34 -13.642 4.760 -4.258 1.00 0.00 O ATOM 478 CB PRO A 34 -11.060 6.502 -2.696 1.00 0.00 C ATOM 479 CG PRO A 34 -10.455 5.222 -2.231 1.00 0.00 C ATOM 480 CD PRO A 34 -11.439 4.627 -1.263 1.00 0.00 C ATOM 0 HA PRO A 34 -13.168 7.117 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.701 6.772 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.804 7.326 -2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.275 4.548 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.492 5.397 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.429 3.538 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.215 4.914 -0.236 1.00 0.00 H new ATOM 488 N VAL A 35 -12.733 6.644 -5.087 1.00 0.00 N ATOM 489 CA VAL A 35 -13.117 6.354 -6.464 1.00 0.00 C ATOM 490 C VAL A 35 -11.897 6.308 -7.376 1.00 0.00 C ATOM 491 O VAL A 35 -10.884 6.956 -7.111 1.00 0.00 O ATOM 492 CB VAL A 35 -14.109 7.401 -7.003 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.669 8.804 -6.613 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.246 7.277 -8.513 1.00 0.00 C ATOM 0 H VAL A 35 -12.228 7.522 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.600 5.377 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.086 7.215 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.382 9.530 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.627 8.883 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.682 9.005 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.951 8.024 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.274 7.436 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.611 6.281 -8.765 1.00 0.00 H new ATOM 504 N LYS A 36 -12.000 5.539 -8.455 1.00 0.00 N ATOM 505 CA LYS A 36 -10.906 5.409 -9.410 1.00 0.00 C ATOM 506 C LYS A 36 -10.854 6.613 -10.345 1.00 0.00 C ATOM 507 O LYS A 36 -11.854 6.972 -10.966 1.00 0.00 O ATOM 508 CB LYS A 36 -11.063 4.123 -10.225 1.00 0.00 C ATOM 509 CG LYS A 36 -10.236 4.105 -11.498 1.00 0.00 C ATOM 510 CD LYS A 36 -10.497 2.851 -12.316 1.00 0.00 C ATOM 511 CE LYS A 36 -10.299 3.103 -13.802 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.773 1.957 -14.627 1.00 0.00 N ATOM 0 H LYS A 36 -12.831 4.996 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.972 5.365 -8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.779 3.273 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.114 3.992 -10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.469 4.986 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.177 4.162 -11.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.827 2.056 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.515 2.504 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.836 4.006 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.243 3.282 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.621 2.168 -15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.243 1.100 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.787 1.802 -14.455 1.00 0.00 H new ATOM 526 N GLY A 37 -9.682 7.232 -10.441 1.00 0.00 N ATOM 527 CA GLY A 37 -9.522 8.388 -11.304 1.00 0.00 C ATOM 528 C GLY A 37 -9.377 9.679 -10.523 1.00 0.00 C ATOM 529 O GLY A 37 -9.442 10.767 -11.094 1.00 0.00 O ATOM 0 H GLY A 37 -8.840 6.954 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.644 8.248 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.383 8.464 -11.968 1.00 0.00 H new ATOM 533 N GLN A 38 -9.181 9.558 -9.214 1.00 0.00 N ATOM 534 CA GLN A 38 -9.030 10.725 -8.353 1.00 0.00 C ATOM 535 C GLN A 38 -7.673 10.716 -7.657 1.00 0.00 C ATOM 536 O GLN A 38 -6.919 9.747 -7.756 1.00 0.00 O ATOM 537 CB GLN A 38 -10.150 10.766 -7.312 1.00 0.00 C ATOM 538 CG GLN A 38 -11.507 11.127 -7.893 1.00 0.00 C ATOM 539 CD GLN A 38 -12.387 11.867 -6.904 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.545 11.505 -6.694 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.841 12.911 -6.291 1.00 0.00 N ATOM 0 H GLN A 38 -9.123 8.664 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.092 11.616 -8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.219 9.793 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.890 11.490 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.366 11.744 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.014 10.217 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.877 13.176 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.385 13.448 -5.616 1.00 0.00 H new ATOM 550 N VAL A 39 -7.366 11.801 -6.954 1.00 0.00 N ATOM 551 CA VAL A 39 -6.100 11.918 -6.241 1.00 0.00 C ATOM 552 C VAL A 39 -6.189 11.289 -4.855 1.00 0.00 C ATOM 553 O VAL A 39 -6.913 11.775 -3.986 1.00 0.00 O ATOM 554 CB VAL A 39 -5.670 13.390 -6.097 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.577 13.528 -5.049 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.208 13.943 -7.437 1.00 0.00 C ATOM 0 H VAL A 39 -7.977 12.612 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.355 11.385 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.531 13.971 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.287 14.575 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.948 13.173 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.712 12.935 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.908 14.984 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.361 13.360 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.024 13.881 -8.157 1.00 0.00 H new ATOM 566 N VAL A 40 -5.449 10.203 -4.655 1.00 0.00 N ATOM 567 CA VAL A 40 -5.443 9.507 -3.374 1.00 0.00 C ATOM 568 C VAL A 40 -4.091 9.641 -2.682 1.00 0.00 C ATOM 569 O VAL A 40 -3.051 9.323 -3.259 1.00 0.00 O ATOM 570 CB VAL A 40 -5.773 8.012 -3.546 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.269 7.776 -3.402 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.273 7.508 -4.892 1.00 0.00 C ATOM 0 H VAL A 40 -4.846 9.786 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.212 9.973 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.263 7.452 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.484 6.715 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.595 8.099 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.802 8.346 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.514 6.450 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.753 8.071 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.193 7.641 -4.952 1.00 0.00 H new ATOM 582 N THR A 41 -4.112 10.115 -1.440 1.00 0.00 N ATOM 583 CA THR A 41 -2.889 10.292 -0.669 1.00 0.00 C ATOM 584 C THR A 41 -2.832 9.319 0.504 1.00 0.00 C ATOM 585 O THR A 41 -3.730 9.294 1.346 1.00 0.00 O ATOM 586 CB THR A 41 -2.766 11.731 -0.134 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.163 12.665 -1.144 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.339 12.026 0.303 1.00 0.00 C ATOM 0 H THR A 41 -4.964 10.383 -0.947 1.00 0.00 H new ATOM 0 HA THR A 41 -2.058 10.091 -1.345 1.00 0.00 H new ATOM 0 HB THR A 41 -3.422 11.830 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.084 13.577 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.277 13.048 0.677 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.049 11.332 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.667 11.909 -0.547 1.00 0.00 H new ATOM 596 N VAL A 42 -1.771 8.520 0.553 1.00 0.00 N ATOM 597 CA VAL A 42 -1.597 7.546 1.624 1.00 0.00 C ATOM 598 C VAL A 42 -0.142 7.480 2.075 1.00 0.00 C ATOM 599 O VAL A 42 0.712 8.203 1.561 1.00 0.00 O ATOM 600 CB VAL A 42 -2.051 6.142 1.185 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.443 6.197 0.574 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.054 5.541 0.206 1.00 0.00 C ATOM 0 H VAL A 42 -1.019 8.528 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.218 7.876 2.457 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.092 5.501 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.747 5.195 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.149 6.582 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.433 6.853 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.391 4.549 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.978 6.179 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.077 5.464 0.683 1.00 0.00 H new ATOM 612 N HIS A 43 0.134 6.608 3.039 1.00 0.00 N ATOM 613 CA HIS A 43 1.487 6.446 3.560 1.00 0.00 C ATOM 614 C HIS A 43 2.007 5.037 3.291 1.00 0.00 C ATOM 615 O HIS A 43 1.676 4.094 4.011 1.00 0.00 O ATOM 616 CB HIS A 43 1.517 6.735 5.060 1.00 0.00 C ATOM 617 CG HIS A 43 2.900 6.807 5.629 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.231 7.601 6.707 1.00 0.00 N ATOM 619 CD2 HIS A 43 4.041 6.176 5.265 1.00 0.00 C ATOM 620 CE1 HIS A 43 4.516 7.457 6.979 1.00 0.00 C ATOM 621 NE2 HIS A 43 5.030 6.597 6.119 1.00 0.00 N ATOM 0 H HIS A 43 -0.561 6.002 3.476 1.00 0.00 H new ATOM 0 HA HIS A 43 2.135 7.158 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.005 7.679 5.250 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.958 5.959 5.582 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.585 8.205 7.215 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.153 5.472 4.454 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.054 7.958 7.770 1.00 0.00 H new ATOM 630 N LEU A 44 2.822 4.900 2.250 1.00 0.00 N ATOM 631 CA LEU A 44 3.387 3.606 1.886 1.00 0.00 C ATOM 632 C LEU A 44 4.828 3.485 2.372 1.00 0.00 C ATOM 633 O LEU A 44 5.634 4.396 2.186 1.00 0.00 O ATOM 634 CB LEU A 44 3.331 3.412 0.370 1.00 0.00 C ATOM 635 CG LEU A 44 4.471 2.600 -0.246 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.768 3.395 -0.217 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.639 1.276 0.485 1.00 0.00 C ATOM 0 H LEU A 44 3.106 5.670 1.644 1.00 0.00 H new ATOM 0 HA LEU A 44 2.794 2.829 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.389 2.924 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.316 4.395 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 44 4.221 2.389 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.568 2.802 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.643 4.317 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.023 3.637 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.455 0.712 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.867 1.466 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.716 0.701 0.413 1.00 0.00 H new ATOM 649 N GLN A 45 5.144 2.354 2.994 1.00 0.00 N ATOM 650 CA GLN A 45 6.488 2.114 3.506 1.00 0.00 C ATOM 651 C GLN A 45 6.967 0.713 3.140 1.00 0.00 C ATOM 652 O GLN A 45 6.471 -0.283 3.668 1.00 0.00 O ATOM 653 CB GLN A 45 6.519 2.297 5.024 1.00 0.00 C ATOM 654 CG GLN A 45 6.295 3.733 5.469 1.00 0.00 C ATOM 655 CD GLN A 45 6.949 4.040 6.801 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.273 4.374 7.775 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.271 3.929 6.852 1.00 0.00 N ATOM 0 H GLN A 45 4.488 1.590 3.156 1.00 0.00 H new ATOM 0 HA GLN A 45 7.160 2.839 3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.755 1.663 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.482 1.954 5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.689 4.410 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.224 3.924 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.792 3.649 6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.766 4.123 7.722 1.00 0.00 H new ATOM 666 N THR A 46 7.937 0.642 2.233 1.00 0.00 N ATOM 667 CA THR A 46 8.482 -0.637 1.796 1.00 0.00 C ATOM 668 C THR A 46 9.595 -1.107 2.725 1.00 0.00 C ATOM 669 O THR A 46 10.511 -0.350 3.044 1.00 0.00 O ATOM 670 CB THR A 46 9.031 -0.552 0.359 1.00 0.00 C ATOM 671 OG1 THR A 46 8.078 0.096 -0.492 1.00 0.00 O ATOM 672 CG2 THR A 46 9.342 -1.938 -0.184 1.00 0.00 C ATOM 0 H THR A 46 8.361 1.456 1.787 1.00 0.00 H new ATOM 0 HA THR A 46 7.662 -1.355 1.823 1.00 0.00 H new ATOM 0 HB THR A 46 9.953 0.029 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.435 0.148 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.728 -1.853 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.089 -2.418 0.449 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.432 -2.539 -0.191 1.00 0.00 H new ATOM 680 N SER A 47 9.509 -2.361 3.157 1.00 0.00 N ATOM 681 CA SER A 47 10.508 -2.931 4.053 1.00 0.00 C ATOM 682 C SER A 47 10.695 -4.421 3.782 1.00 0.00 C ATOM 683 O SER A 47 9.723 -5.168 3.661 1.00 0.00 O ATOM 684 CB SER A 47 10.098 -2.715 5.512 1.00 0.00 C ATOM 685 OG SER A 47 9.334 -1.530 5.656 1.00 0.00 O ATOM 0 H SER A 47 8.758 -3.002 2.901 1.00 0.00 H new ATOM 0 HA SER A 47 11.455 -2.424 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.519 -3.570 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.988 -2.656 6.138 1.00 0.00 H new ATOM 0 HG SER A 47 8.387 -1.762 5.760 1.00 0.00 H new ATOM 691 N LEU A 48 11.950 -4.845 3.686 1.00 0.00 N ATOM 692 CA LEU A 48 12.267 -6.246 3.429 1.00 0.00 C ATOM 693 C LEU A 48 11.551 -7.157 4.421 1.00 0.00 C ATOM 694 O LEU A 48 11.250 -6.753 5.543 1.00 0.00 O ATOM 695 CB LEU A 48 13.777 -6.471 3.510 1.00 0.00 C ATOM 696 CG LEU A 48 14.561 -6.245 2.217 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.351 -7.405 1.256 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.150 -4.931 1.567 1.00 0.00 C ATOM 0 H LEU A 48 12.765 -4.239 3.782 1.00 0.00 H new ATOM 0 HA LEU A 48 11.923 -6.492 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.182 -5.810 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.954 -7.493 3.844 1.00 0.00 H new ATOM 0 HG LEU A 48 15.622 -6.190 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.917 -7.227 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.694 -8.329 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.291 -7.492 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.718 -4.786 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.085 -4.957 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.352 -4.107 2.252 1.00 0.00 H new ATOM 710 N GLU A 49 11.284 -8.389 3.998 1.00 0.00 N ATOM 711 CA GLU A 49 10.605 -9.358 4.851 1.00 0.00 C ATOM 712 C GLU A 49 11.363 -9.556 6.160 1.00 0.00 C ATOM 713 O GLU A 49 10.833 -10.116 7.118 1.00 0.00 O ATOM 714 CB GLU A 49 10.461 -10.697 4.125 1.00 0.00 C ATOM 715 CG GLU A 49 9.862 -11.795 4.987 1.00 0.00 C ATOM 716 CD GLU A 49 8.561 -11.377 5.644 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.698 -10.807 4.945 1.00 0.00 O ATOM 718 OE2 GLU A 49 8.407 -11.619 6.860 1.00 0.00 O ATOM 0 H GLU A 49 11.527 -8.739 3.071 1.00 0.00 H new ATOM 0 HA GLU A 49 9.613 -8.969 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.836 -10.557 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.442 -11.017 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.687 -12.679 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.579 -12.079 5.757 1.00 0.00 H new ATOM 725 N ASN A 50 12.609 -9.092 6.192 1.00 0.00 N ATOM 726 CA ASN A 50 13.441 -9.219 7.383 1.00 0.00 C ATOM 727 C ASN A 50 13.272 -8.009 8.296 1.00 0.00 C ATOM 728 O ASN A 50 13.265 -8.138 9.520 1.00 0.00 O ATOM 729 CB ASN A 50 14.911 -9.373 6.988 1.00 0.00 C ATOM 730 CG ASN A 50 15.251 -8.620 5.716 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.219 -7.390 5.682 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.578 -9.358 4.661 1.00 0.00 N ATOM 0 H ASN A 50 13.064 -8.625 5.407 1.00 0.00 H new ATOM 0 HA ASN A 50 13.122 -10.109 7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.542 -9.012 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.139 -10.430 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.816 -8.907 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.591 -10.375 4.735 1.00 0.00 H new ATOM 739 N GLY A 51 13.136 -6.832 7.692 1.00 0.00 N ATOM 740 CA GLY A 51 12.968 -5.616 8.465 1.00 0.00 C ATOM 741 C GLY A 51 13.908 -4.513 8.021 1.00 0.00 C ATOM 742 O GLY A 51 14.509 -3.827 8.850 1.00 0.00 O ATOM 0 H GLY A 51 13.139 -6.700 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.938 -5.270 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.139 -5.833 9.519 1.00 0.00 H new ATOM 746 N THR A 52 14.038 -4.340 6.710 1.00 0.00 N ATOM 747 CA THR A 52 14.913 -3.314 6.157 1.00 0.00 C ATOM 748 C THR A 52 14.140 -2.358 5.256 1.00 0.00 C ATOM 749 O THR A 52 13.829 -2.685 4.111 1.00 0.00 O ATOM 750 CB THR A 52 16.070 -3.937 5.352 1.00 0.00 C ATOM 751 OG1 THR A 52 16.726 -4.941 6.134 1.00 0.00 O ATOM 752 CG2 THR A 52 17.075 -2.873 4.938 1.00 0.00 C ATOM 0 H THR A 52 13.548 -4.898 6.011 1.00 0.00 H new ATOM 0 HA THR A 52 15.323 -2.761 7.002 1.00 0.00 H new ATOM 0 HB THR A 52 15.654 -4.392 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.270 -5.800 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.883 -3.336 4.371 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.579 -2.126 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.484 -2.394 5.827 1.00 0.00 H new ATOM 760 N ARG A 53 13.832 -1.177 5.781 1.00 0.00 N ATOM 761 CA ARG A 53 13.094 -0.173 5.024 1.00 0.00 C ATOM 762 C ARG A 53 13.851 0.219 3.758 1.00 0.00 C ATOM 763 O ARG A 53 15.011 0.627 3.817 1.00 0.00 O ATOM 764 CB ARG A 53 12.845 1.066 5.886 1.00 0.00 C ATOM 765 CG ARG A 53 11.665 0.921 6.833 1.00 0.00 C ATOM 766 CD ARG A 53 11.068 2.274 7.189 1.00 0.00 C ATOM 767 NE ARG A 53 11.687 2.849 8.380 1.00 0.00 N ATOM 768 CZ ARG A 53 12.818 3.545 8.357 1.00 0.00 C ATOM 769 NH1 ARG A 53 13.450 3.751 7.210 1.00 0.00 N ATOM 770 NH2 ARG A 53 13.319 4.037 9.483 1.00 0.00 N ATOM 0 H ARG A 53 14.082 -0.892 6.728 1.00 0.00 H new ATOM 0 HA ARG A 53 12.136 -0.605 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.742 1.281 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.674 1.923 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.901 0.295 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.987 0.413 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.193 2.958 6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.996 2.165 7.354 1.00 0.00 H new ATOM 0 HE ARG A 53 11.226 2.708 9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.068 3.375 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.318 4.286 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.835 3.881 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.188 4.571 9.464 1.00 0.00 H new ATOM 784 N VAL A 54 13.187 0.091 2.614 1.00 0.00 N ATOM 785 CA VAL A 54 13.797 0.432 1.334 1.00 0.00 C ATOM 786 C VAL A 54 13.215 1.726 0.776 1.00 0.00 C ATOM 787 O VAL A 54 13.916 2.505 0.131 1.00 0.00 O ATOM 788 CB VAL A 54 13.601 -0.694 0.301 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.264 -0.330 -1.018 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.147 -2.009 0.837 1.00 0.00 C ATOM 0 H VAL A 54 12.227 -0.246 2.547 1.00 0.00 H new ATOM 0 HA VAL A 54 14.863 0.565 1.517 1.00 0.00 H new ATOM 0 HB VAL A 54 12.533 -0.817 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.115 -1.137 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.821 0.587 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.332 -0.178 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.000 -2.793 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.211 -1.902 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.621 -2.274 1.754 1.00 0.00 H new ATOM 800 N GLN A 55 11.929 1.947 1.028 1.00 0.00 N ATOM 801 CA GLN A 55 11.253 3.148 0.550 1.00 0.00 C ATOM 802 C GLN A 55 10.377 3.751 1.643 1.00 0.00 C ATOM 803 O GLN A 55 9.458 3.103 2.142 1.00 0.00 O ATOM 804 CB GLN A 55 10.403 2.824 -0.680 1.00 0.00 C ATOM 805 CG GLN A 55 11.152 2.976 -1.994 1.00 0.00 C ATOM 806 CD GLN A 55 11.343 4.426 -2.392 1.00 0.00 C ATOM 807 OE1 GLN A 55 12.398 5.014 -2.153 1.00 0.00 O ATOM 808 NE2 GLN A 55 10.320 5.012 -3.004 1.00 0.00 N ATOM 0 H GLN A 55 11.335 1.311 1.560 1.00 0.00 H new ATOM 0 HA GLN A 55 12.014 3.878 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.034 1.802 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.531 3.477 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.126 2.495 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.606 2.456 -2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.464 4.487 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.391 5.987 -3.296 1.00 0.00 H new ATOM 817 N GLU A 56 10.670 4.995 2.010 1.00 0.00 N ATOM 818 CA GLU A 56 9.909 5.684 3.045 1.00 0.00 C ATOM 819 C GLU A 56 9.225 6.926 2.482 1.00 0.00 C ATOM 820 O GLU A 56 9.856 7.967 2.303 1.00 0.00 O ATOM 821 CB GLU A 56 10.825 6.076 4.207 1.00 0.00 C ATOM 822 CG GLU A 56 10.144 6.943 5.253 1.00 0.00 C ATOM 823 CD GLU A 56 11.110 7.456 6.304 1.00 0.00 C ATOM 824 OE1 GLU A 56 12.313 7.579 5.995 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.661 7.735 7.435 1.00 0.00 O ATOM 0 H GLU A 56 11.428 5.545 1.606 1.00 0.00 H new ATOM 0 HA GLU A 56 9.142 5.002 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.199 5.171 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.690 6.609 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.664 7.789 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.356 6.368 5.739 1.00 0.00 H new ATOM 832 N GLU A 57 7.930 6.806 2.203 1.00 0.00 N ATOM 833 CA GLU A 57 7.160 7.919 1.658 1.00 0.00 C ATOM 834 C GLU A 57 5.978 8.256 2.562 1.00 0.00 C ATOM 835 O GLU A 57 4.954 7.572 2.568 1.00 0.00 O ATOM 836 CB GLU A 57 6.662 7.582 0.252 1.00 0.00 C ATOM 837 CG GLU A 57 6.520 8.796 -0.651 1.00 0.00 C ATOM 838 CD GLU A 57 7.694 9.750 -0.534 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.773 9.431 -1.076 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.533 10.814 0.100 1.00 0.00 O ATOM 0 H GLU A 57 7.393 5.951 2.345 1.00 0.00 H new ATOM 0 HA GLU A 57 7.814 8.789 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.352 6.876 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.697 7.081 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.426 8.466 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.600 9.325 -0.401 1.00 0.00 H new ATOM 847 N PRO A 58 6.121 9.336 3.344 1.00 0.00 N ATOM 848 CA PRO A 58 5.076 9.790 4.266 1.00 0.00 C ATOM 849 C PRO A 58 3.865 10.359 3.535 1.00 0.00 C ATOM 850 O PRO A 58 2.726 10.164 3.958 1.00 0.00 O ATOM 851 CB PRO A 58 5.771 10.884 5.081 1.00 0.00 C ATOM 852 CG PRO A 58 6.858 11.384 4.193 1.00 0.00 C ATOM 853 CD PRO A 58 7.314 10.198 3.388 1.00 0.00 C ATOM 0 HA PRO A 58 4.684 8.973 4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.077 11.682 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.172 10.488 6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.496 12.181 3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.680 11.798 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.635 10.491 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.157 9.693 3.859 1.00 0.00 H new ATOM 861 N GLU A 59 4.119 11.061 2.436 1.00 0.00 N ATOM 862 CA GLU A 59 3.048 11.658 1.647 1.00 0.00 C ATOM 863 C GLU A 59 3.077 11.142 0.211 1.00 0.00 C ATOM 864 O GLU A 59 3.630 11.787 -0.682 1.00 0.00 O ATOM 865 CB GLU A 59 3.168 13.184 1.654 1.00 0.00 C ATOM 866 CG GLU A 59 2.065 13.885 0.880 1.00 0.00 C ATOM 867 CD GLU A 59 2.086 15.390 1.068 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.839 16.068 0.338 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.350 15.889 1.945 1.00 0.00 O ATOM 0 H GLU A 59 5.057 11.230 2.072 1.00 0.00 H new ATOM 0 HA GLU A 59 2.098 11.373 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.157 13.536 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.132 13.466 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.167 13.654 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.098 13.496 1.200 1.00 0.00 H new ATOM 876 N LEU A 60 2.480 9.976 -0.004 1.00 0.00 N ATOM 877 CA LEU A 60 2.437 9.371 -1.331 1.00 0.00 C ATOM 878 C LEU A 60 1.129 9.707 -2.040 1.00 0.00 C ATOM 879 O LEU A 60 0.044 9.430 -1.529 1.00 0.00 O ATOM 880 CB LEU A 60 2.599 7.853 -1.227 1.00 0.00 C ATOM 881 CG LEU A 60 2.129 7.044 -2.436 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.611 7.044 -2.521 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.737 7.596 -3.717 1.00 0.00 C ATOM 0 H LEU A 60 2.019 9.430 0.723 1.00 0.00 H new ATOM 0 HA LEU A 60 3.261 9.779 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.652 7.631 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.052 7.509 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 60 2.465 6.015 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.295 6.463 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.196 6.600 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.252 8.068 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.391 7.008 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.432 8.634 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.824 7.542 -3.657 1.00 0.00 H new ATOM 895 N VAL A 61 1.240 10.303 -3.224 1.00 0.00 N ATOM 896 CA VAL A 61 0.066 10.673 -4.006 1.00 0.00 C ATOM 897 C VAL A 61 0.107 10.039 -5.391 1.00 0.00 C ATOM 898 O VAL A 61 1.179 9.833 -5.961 1.00 0.00 O ATOM 899 CB VAL A 61 -0.049 12.202 -4.156 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.135 12.752 -4.936 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.361 12.573 -4.829 1.00 0.00 C ATOM 0 H VAL A 61 2.130 10.540 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.805 10.302 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.038 12.650 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.037 13.833 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.059 12.517 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.159 12.300 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.426 13.657 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.405 12.116 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.194 12.213 -4.225 1.00 0.00 H new ATOM 911 N PHE A 62 -1.069 9.731 -5.930 1.00 0.00 N ATOM 912 CA PHE A 62 -1.168 9.120 -7.250 1.00 0.00 C ATOM 913 C PHE A 62 -2.607 9.153 -7.758 1.00 0.00 C ATOM 914 O PHE A 62 -3.532 9.490 -7.018 1.00 0.00 O ATOM 915 CB PHE A 62 -0.664 7.676 -7.206 1.00 0.00 C ATOM 916 CG PHE A 62 -1.572 6.747 -6.451 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.754 6.299 -7.019 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.243 6.321 -5.174 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.591 5.445 -6.327 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.077 5.467 -4.477 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.252 5.027 -5.055 1.00 0.00 C ATOM 0 H PHE A 62 -1.966 9.895 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.546 9.694 -7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.548 7.309 -8.226 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.324 7.658 -6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.024 6.621 -8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.325 6.660 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.510 5.104 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.810 5.144 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.904 4.358 -4.513 1.00 0.00 H new ATOM 931 N THR A 63 -2.789 8.801 -9.027 1.00 0.00 N ATOM 932 CA THR A 63 -4.113 8.792 -9.635 1.00 0.00 C ATOM 933 C THR A 63 -4.649 7.371 -9.764 1.00 0.00 C ATOM 934 O THR A 63 -4.220 6.610 -10.633 1.00 0.00 O ATOM 935 CB THR A 63 -4.096 9.450 -11.028 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.660 10.809 -10.922 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.476 9.402 -11.666 1.00 0.00 C ATOM 0 H THR A 63 -2.035 8.518 -9.654 1.00 0.00 H new ATOM 0 HA THR A 63 -4.766 9.366 -8.978 1.00 0.00 H new ATOM 0 HB THR A 63 -3.402 8.895 -11.660 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.650 11.220 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.439 9.872 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.792 8.364 -11.772 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.187 9.935 -11.035 1.00 0.00 H new ATOM 945 N LEU A 64 -5.589 7.017 -8.894 1.00 0.00 N ATOM 946 CA LEU A 64 -6.185 5.686 -8.911 1.00 0.00 C ATOM 947 C LEU A 64 -6.683 5.330 -10.308 1.00 0.00 C ATOM 948 O LEU A 64 -7.389 6.111 -10.944 1.00 0.00 O ATOM 949 CB LEU A 64 -7.340 5.610 -7.910 1.00 0.00 C ATOM 950 CG LEU A 64 -7.997 4.239 -7.746 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.959 3.191 -7.374 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.097 4.297 -6.697 1.00 0.00 C ATOM 0 H LEU A 64 -5.955 7.633 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.417 4.967 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.972 5.933 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.106 6.324 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.445 3.956 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.445 2.222 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.206 3.130 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.482 3.469 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.553 3.313 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.672 4.602 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.855 5.018 -7.004 1.00 0.00 H new ATOM 964 N GLY A 65 -6.313 4.142 -10.778 1.00 0.00 N ATOM 965 CA GLY A 65 -6.733 3.703 -12.095 1.00 0.00 C ATOM 966 C GLY A 65 -5.565 3.509 -13.042 1.00 0.00 C ATOM 967 O GLY A 65 -5.516 2.531 -13.787 1.00 0.00 O ATOM 0 H GLY A 65 -5.730 3.477 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.282 2.766 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.421 4.436 -12.517 1.00 0.00 H new ATOM 971 N ASP A 66 -4.622 4.445 -13.014 1.00 0.00 N ATOM 972 CA ASP A 66 -3.449 4.374 -13.877 1.00 0.00 C ATOM 973 C ASP A 66 -2.382 3.468 -13.270 1.00 0.00 C ATOM 974 O ASP A 66 -1.347 3.212 -13.886 1.00 0.00 O ATOM 975 CB ASP A 66 -2.875 5.772 -14.110 1.00 0.00 C ATOM 976 CG ASP A 66 -2.138 5.883 -15.430 1.00 0.00 C ATOM 977 OD1 ASP A 66 -2.809 5.995 -16.478 1.00 0.00 O ATOM 978 OD2 ASP A 66 -0.889 5.858 -15.416 1.00 0.00 O ATOM 0 H ASP A 66 -4.647 5.261 -12.403 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.758 3.952 -14.834 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.684 6.502 -14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.195 6.023 -13.296 1.00 0.00 H new ATOM 983 N CYS A 67 -2.641 2.986 -12.059 1.00 0.00 N ATOM 984 CA CYS A 67 -1.703 2.110 -11.368 1.00 0.00 C ATOM 985 C CYS A 67 -0.297 2.702 -11.379 1.00 0.00 C ATOM 986 O CYS A 67 0.694 1.974 -11.444 1.00 0.00 O ATOM 987 CB CYS A 67 -1.692 0.726 -12.018 1.00 0.00 C ATOM 988 SG CYS A 67 -1.273 -0.619 -10.883 1.00 0.00 S ATOM 0 H CYS A 67 -3.493 3.188 -11.536 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.029 2.014 -10.332 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.674 0.531 -12.449 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.977 0.729 -12.841 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.292 -1.750 -11.524 1.00 0.00 H new ATOM 994 N ASP A 68 -0.218 4.027 -11.317 1.00 0.00 N ATOM 995 CA ASP A 68 1.066 4.717 -11.321 1.00 0.00 C ATOM 996 C ASP A 68 1.940 4.245 -10.163 1.00 0.00 C ATOM 997 O ASP A 68 3.154 4.451 -10.163 1.00 0.00 O ATOM 998 CB ASP A 68 0.857 6.230 -11.235 1.00 0.00 C ATOM 999 CG ASP A 68 1.983 7.008 -11.886 1.00 0.00 C ATOM 1000 OD1 ASP A 68 3.028 7.201 -11.231 1.00 0.00 O ATOM 1001 OD2 ASP A 68 1.818 7.424 -13.052 1.00 0.00 O ATOM 0 H ASP A 68 -1.028 4.644 -11.263 1.00 0.00 H new ATOM 0 HA ASP A 68 1.574 4.481 -12.256 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.086 6.491 -11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.774 6.523 -10.189 1.00 0.00 H new ATOM 1006 N VAL A 69 1.315 3.612 -9.175 1.00 0.00 N ATOM 1007 CA VAL A 69 2.035 3.111 -8.011 1.00 0.00 C ATOM 1008 C VAL A 69 2.135 1.591 -8.040 1.00 0.00 C ATOM 1009 O VAL A 69 1.696 0.947 -8.993 1.00 0.00 O ATOM 1010 CB VAL A 69 1.353 3.545 -6.700 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.504 5.044 -6.490 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.114 3.144 -6.705 1.00 0.00 C ATOM 0 H VAL A 69 0.311 3.434 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 69 3.037 3.539 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 69 1.842 3.035 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.016 5.332 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.562 5.299 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.042 5.576 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.580 3.458 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.620 3.624 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.195 2.062 -6.805 1.00 0.00 H new ATOM 1022 N ILE A 70 2.716 1.022 -6.988 1.00 0.00 N ATOM 1023 CA ILE A 70 2.873 -0.424 -6.892 1.00 0.00 C ATOM 1024 C ILE A 70 1.544 -1.137 -7.118 1.00 0.00 C ATOM 1025 O ILE A 70 0.480 -0.595 -6.821 1.00 0.00 O ATOM 1026 CB ILE A 70 3.439 -0.839 -5.522 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.551 0.120 -5.093 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.957 -2.269 -5.574 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.559 0.403 -6.185 1.00 0.00 C ATOM 0 H ILE A 70 3.085 1.540 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 70 3.577 -0.718 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 70 2.638 -0.790 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.104 1.060 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.069 -0.300 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.354 -2.548 -4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.142 -2.942 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.747 -2.343 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.318 1.090 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.033 -0.529 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.053 0.852 -7.040 1.00 0.00 H new ATOM 1041 N GLN A 71 1.614 -2.356 -7.642 1.00 0.00 N ATOM 1042 CA GLN A 71 0.416 -3.144 -7.906 1.00 0.00 C ATOM 1043 C GLN A 71 -0.201 -3.648 -6.606 1.00 0.00 C ATOM 1044 O GLN A 71 -1.348 -4.093 -6.583 1.00 0.00 O ATOM 1045 CB GLN A 71 0.748 -4.326 -8.819 1.00 0.00 C ATOM 1046 CG GLN A 71 0.615 -4.008 -10.299 1.00 0.00 C ATOM 1047 CD GLN A 71 0.756 -5.237 -11.175 1.00 0.00 C ATOM 1048 OE1 GLN A 71 1.844 -5.545 -11.662 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -0.347 -5.947 -11.381 1.00 0.00 N ATOM 0 H GLN A 71 2.487 -2.820 -7.892 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.309 -2.501 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.767 -4.655 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.089 -5.159 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.355 -3.546 -10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.374 -3.278 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.228 -5.655 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.313 -6.784 -11.963 1.00 0.00 H new ATOM 1058 N ALA A 72 0.568 -3.575 -5.524 1.00 0.00 N ATOM 1059 CA ALA A 72 0.096 -4.023 -4.220 1.00 0.00 C ATOM 1060 C ALA A 72 -0.569 -2.882 -3.456 1.00 0.00 C ATOM 1061 O ALA A 72 -1.256 -3.107 -2.459 1.00 0.00 O ATOM 1062 CB ALA A 72 1.247 -4.602 -3.412 1.00 0.00 C ATOM 0 H ALA A 72 1.520 -3.210 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.649 -4.803 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.880 -4.932 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.676 -5.450 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.012 -3.839 -3.270 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.358 -1.659 -3.928 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.937 -0.482 -3.289 1.00 0.00 C ATOM 1070 C LEU A 73 -2.178 -0.009 -4.039 1.00 0.00 C ATOM 1071 O LEU A 73 -3.187 0.344 -3.428 1.00 0.00 O ATOM 1072 CB LEU A 73 0.095 0.646 -3.224 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.468 2.067 -3.160 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.228 2.282 -1.861 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.650 3.090 -3.303 1.00 0.00 C ATOM 0 H LEU A 73 0.210 -1.456 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.231 -0.757 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.724 0.486 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.741 0.571 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.163 2.200 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.621 3.298 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.053 1.572 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.556 2.130 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.232 4.095 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.370 2.958 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.150 2.950 -4.261 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.097 -0.007 -5.364 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.215 0.419 -6.198 1.00 0.00 C ATOM 1089 C ASP A 74 -4.342 -0.608 -6.161 1.00 0.00 C ATOM 1090 O ASP A 74 -5.516 -0.263 -6.305 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.751 0.634 -7.640 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.579 1.676 -8.365 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.398 2.879 -8.084 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.408 1.288 -9.215 1.00 0.00 O ATOM 0 H ASP A 74 -1.269 -0.296 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.593 1.362 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.705 0.941 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.806 -0.311 -8.181 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.979 -1.871 -5.970 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.959 -2.950 -5.915 1.00 0.00 C ATOM 1101 C LEU A 75 -5.514 -3.111 -4.503 1.00 0.00 C ATOM 1102 O LEU A 75 -6.381 -3.950 -4.258 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.329 -4.264 -6.380 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.966 -4.346 -7.863 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.409 -3.017 -8.351 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.965 -5.467 -8.106 1.00 0.00 C ATOM 0 H LEU A 75 -3.012 -2.174 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.782 -2.693 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.426 -4.438 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.019 -5.076 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.872 -4.566 -8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.156 -3.095 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.157 -2.236 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.514 -2.767 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.718 -5.511 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.059 -5.277 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.400 -6.417 -7.795 1.00 0.00 H new ATOM 1118 N SER A 76 -5.010 -2.299 -3.579 1.00 0.00 N ATOM 1119 CA SER A 76 -5.453 -2.352 -2.191 1.00 0.00 C ATOM 1120 C SER A 76 -6.111 -1.038 -1.780 1.00 0.00 C ATOM 1121 O SER A 76 -6.959 -1.007 -0.888 1.00 0.00 O ATOM 1122 CB SER A 76 -4.272 -2.655 -1.267 1.00 0.00 C ATOM 1123 OG SER A 76 -3.638 -1.461 -0.842 1.00 0.00 O ATOM 0 H SER A 76 -4.295 -1.597 -3.767 1.00 0.00 H new ATOM 0 HA SER A 76 -6.189 -3.151 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.620 -3.215 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.552 -3.288 -1.787 1.00 0.00 H new ATOM 0 HG SER A 76 -3.453 -0.894 -1.620 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.714 0.046 -2.438 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.264 1.364 -2.144 1.00 0.00 C ATOM 1131 C VAL A 77 -7.787 1.352 -2.217 1.00 0.00 C ATOM 1132 O VAL A 77 -8.482 1.682 -1.256 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.722 2.429 -3.116 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.760 3.515 -3.350 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.426 3.023 -2.585 1.00 0.00 C ATOM 0 H VAL A 77 -5.013 0.038 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.953 1.618 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.511 1.951 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.360 4.259 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.660 3.072 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.006 3.994 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.057 3.774 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.609 3.488 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.683 2.234 -2.474 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.320 0.962 -3.385 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.766 0.897 -3.612 1.00 0.00 C ATOM 1147 C PRO A 78 -10.427 -0.228 -2.823 1.00 0.00 C ATOM 1148 O PRO A 78 -11.631 -0.460 -2.941 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.878 0.632 -5.116 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.596 -0.035 -5.479 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.551 0.555 -4.573 1.00 0.00 C ATOM 0 HA PRO A 78 -10.270 1.807 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.734 -0.004 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.013 1.559 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.666 -1.114 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.348 0.139 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.779 -0.173 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.050 1.404 -5.037 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.633 -0.924 -2.017 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.141 -2.026 -1.207 1.00 0.00 C ATOM 1161 C LEU A 79 -10.250 -1.619 0.259 1.00 0.00 C ATOM 1162 O LEU A 79 -10.524 -2.449 1.125 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.230 -3.247 -1.342 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.791 -3.603 -2.763 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.271 -5.031 -2.820 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -9.942 -3.413 -3.740 1.00 0.00 C ATOM 0 H LEU A 79 -8.635 -0.745 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.137 -2.281 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.338 -3.078 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.744 -4.108 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.982 -2.932 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.963 -5.266 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.417 -5.134 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.059 -5.718 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.612 -3.671 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.772 -4.059 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.268 -2.373 -3.721 1.00 0.00 H new ATOM 1178 N MET A 80 -10.035 -0.335 0.529 1.00 0.00 N ATOM 1179 CA MET A 80 -10.112 0.183 1.890 1.00 0.00 C ATOM 1180 C MET A 80 -10.837 1.524 1.921 1.00 0.00 C ATOM 1181 O MET A 80 -10.741 2.314 0.981 1.00 0.00 O ATOM 1182 CB MET A 80 -8.709 0.334 2.481 1.00 0.00 C ATOM 1183 CG MET A 80 -7.675 0.814 1.476 1.00 0.00 C ATOM 1184 SD MET A 80 -5.997 0.328 1.921 1.00 0.00 S ATOM 1185 CE MET A 80 -5.767 1.251 3.439 1.00 0.00 C ATOM 0 H MET A 80 -9.806 0.365 -0.177 1.00 0.00 H new ATOM 0 HA MET A 80 -10.677 -0.529 2.492 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.748 1.037 3.314 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.390 -0.625 2.888 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.917 0.412 0.492 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.726 1.900 1.398 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.739 1.608 3.495 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.448 2.102 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.974 0.605 4.292 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.562 1.775 3.005 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.303 3.022 3.158 1.00 0.00 C ATOM 1197 C ASP A 81 -11.383 4.147 3.622 1.00 0.00 C ATOM 1198 O ASP A 81 -10.367 3.904 4.273 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.449 2.840 4.155 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.429 1.768 3.721 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -15.070 1.943 2.663 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.555 0.754 4.438 1.00 0.00 O ATOM 0 H ASP A 81 -11.653 1.132 3.791 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.716 3.292 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.040 2.580 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.978 3.786 4.273 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.746 5.379 3.280 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.954 6.543 3.661 1.00 0.00 C ATOM 1209 C VAL A 82 -10.868 6.676 5.178 1.00 0.00 C ATOM 1210 O VAL A 82 -11.844 7.031 5.836 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.543 7.839 3.075 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.053 7.869 3.256 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.896 9.056 3.719 1.00 0.00 C ATOM 0 H VAL A 82 -12.583 5.597 2.740 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.954 6.392 3.255 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.329 7.865 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.452 8.792 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.498 7.016 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.293 7.820 4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.324 9.964 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.078 9.039 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.822 9.039 3.532 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.691 6.390 5.726 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.498 6.485 7.161 1.00 0.00 C ATOM 1225 C GLY A 83 -9.271 5.132 7.806 1.00 0.00 C ATOM 1226 O GLY A 83 -9.306 5.008 9.030 1.00 0.00 O ATOM 0 H GLY A 83 -8.868 6.094 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.644 7.130 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.371 6.957 7.612 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.038 4.117 6.981 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.807 2.766 7.479 1.00 0.00 C ATOM 1232 C GLU A 84 -7.394 2.296 7.142 1.00 0.00 C ATOM 1233 O GLU A 84 -6.975 2.331 5.985 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.833 1.797 6.888 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.357 0.355 6.849 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.341 -0.566 6.155 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.505 -0.636 6.602 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.947 -1.217 5.165 1.00 0.00 O ATOM 0 H GLU A 84 -9.004 4.204 5.965 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.917 2.783 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.751 1.852 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.081 2.116 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.397 0.307 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.192 0.003 7.867 1.00 0.00 H new ATOM 1245 N THR A 85 -6.664 1.857 8.162 1.00 0.00 N ATOM 1246 CA THR A 85 -5.299 1.382 7.976 1.00 0.00 C ATOM 1247 C THR A 85 -5.277 -0.093 7.591 1.00 0.00 C ATOM 1248 O THR A 85 -5.750 -0.947 8.341 1.00 0.00 O ATOM 1249 CB THR A 85 -4.456 1.580 9.251 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.614 2.917 9.739 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.985 1.306 8.975 1.00 0.00 C ATOM 0 H THR A 85 -6.996 1.821 9.126 1.00 0.00 H new ATOM 0 HA THR A 85 -4.867 1.972 7.168 1.00 0.00 H new ATOM 0 HB THR A 85 -4.805 0.874 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.077 3.035 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.410 1.452 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.865 0.279 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.625 1.991 8.207 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.726 -0.386 6.418 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.641 -1.758 5.936 1.00 0.00 C ATOM 1261 C ALA A 86 -3.247 -2.066 5.399 1.00 0.00 C ATOM 1262 O ALA A 86 -2.592 -1.203 4.816 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.689 -2.006 4.861 1.00 0.00 C ATOM 0 H ALA A 86 -4.332 0.309 5.784 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.834 -2.425 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.614 -3.035 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.683 -1.836 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.522 -1.325 4.026 1.00 0.00 H new ATOM 1269 N MET A 87 -2.799 -3.301 5.600 1.00 0.00 N ATOM 1270 CA MET A 87 -1.483 -3.722 5.135 1.00 0.00 C ATOM 1271 C MET A 87 -1.601 -4.617 3.906 1.00 0.00 C ATOM 1272 O MET A 87 -2.661 -5.182 3.637 1.00 0.00 O ATOM 1273 CB MET A 87 -0.737 -4.461 6.249 1.00 0.00 C ATOM 1274 CG MET A 87 0.617 -5.000 5.819 1.00 0.00 C ATOM 1275 SD MET A 87 1.672 -5.423 7.218 1.00 0.00 S ATOM 1276 CE MET A 87 2.539 -3.876 7.469 1.00 0.00 C ATOM 0 H MET A 87 -3.328 -4.028 6.082 1.00 0.00 H new ATOM 0 HA MET A 87 -0.920 -2.830 4.860 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.599 -3.785 7.093 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.353 -5.288 6.601 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.471 -5.884 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.120 -4.256 5.201 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.232 -3.978 8.304 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.094 -3.619 6.567 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.820 -3.087 7.689 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.506 -4.742 3.162 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.487 -5.569 1.962 1.00 0.00 C ATOM 1288 C VAL A 88 0.860 -6.262 1.793 1.00 0.00 C ATOM 1289 O VAL A 88 1.913 -5.627 1.876 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.784 -4.735 0.701 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.125 -4.028 0.832 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.333 -3.734 0.449 1.00 0.00 C ATOM 0 H VAL A 88 0.380 -4.281 3.370 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.267 -6.321 2.084 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.837 -5.408 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.318 -3.444 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.915 -4.768 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.104 -3.365 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.107 -3.154 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.421 -3.064 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.274 -4.266 0.308 1.00 0.00 H new ATOM 1302 N THR A 89 0.822 -7.569 1.556 1.00 0.00 N ATOM 1303 CA THR A 89 2.039 -8.350 1.376 1.00 0.00 C ATOM 1304 C THR A 89 2.011 -9.117 0.059 1.00 0.00 C ATOM 1305 O THR A 89 1.330 -10.134 -0.063 1.00 0.00 O ATOM 1306 CB THR A 89 2.244 -9.346 2.533 1.00 0.00 C ATOM 1307 OG1 THR A 89 0.993 -9.946 2.890 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.843 -8.651 3.746 1.00 0.00 C ATOM 0 H THR A 89 -0.040 -8.110 1.484 1.00 0.00 H new ATOM 0 HA THR A 89 2.869 -7.643 1.364 1.00 0.00 H new ATOM 0 HB THR A 89 2.936 -10.119 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.512 -9.357 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.978 -9.375 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.808 -8.220 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.172 -7.859 4.080 1.00 0.00 H new ATOM 1316 N ALA A 90 2.757 -8.623 -0.924 1.00 0.00 N ATOM 1317 CA ALA A 90 2.819 -9.264 -2.231 1.00 0.00 C ATOM 1318 C ALA A 90 4.254 -9.629 -2.596 1.00 0.00 C ATOM 1319 O ALA A 90 5.202 -9.189 -1.944 1.00 0.00 O ATOM 1320 CB ALA A 90 2.218 -8.355 -3.294 1.00 0.00 C ATOM 0 H ALA A 90 3.327 -7.781 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 90 2.238 -10.185 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.271 -8.847 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.176 -8.147 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.776 -7.419 -3.330 1.00 0.00 H new ATOM 1326 N ASP A 91 4.407 -10.436 -3.639 1.00 0.00 N ATOM 1327 CA ASP A 91 5.728 -10.861 -4.090 1.00 0.00 C ATOM 1328 C ASP A 91 6.427 -9.741 -4.855 1.00 0.00 C ATOM 1329 O ASP A 91 5.778 -8.914 -5.495 1.00 0.00 O ATOM 1330 CB ASP A 91 5.613 -12.104 -4.974 1.00 0.00 C ATOM 1331 CG ASP A 91 6.906 -12.421 -5.698 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.985 -12.206 -5.107 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.840 -12.885 -6.856 1.00 0.00 O ATOM 0 H ASP A 91 3.633 -10.810 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 91 6.324 -11.104 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.325 -12.957 -4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.818 -11.954 -5.705 1.00 0.00 H new ATOM 1338 N SER A 92 7.754 -9.721 -4.782 1.00 0.00 N ATOM 1339 CA SER A 92 8.541 -8.700 -5.464 1.00 0.00 C ATOM 1340 C SER A 92 7.991 -8.433 -6.862 1.00 0.00 C ATOM 1341 O SER A 92 8.097 -7.322 -7.382 1.00 0.00 O ATOM 1342 CB SER A 92 10.006 -9.130 -5.553 1.00 0.00 C ATOM 1343 OG SER A 92 10.789 -8.143 -6.201 1.00 0.00 O ATOM 0 H SER A 92 8.306 -10.400 -4.258 1.00 0.00 H new ATOM 0 HA SER A 92 8.475 -7.779 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.397 -9.309 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.079 -10.072 -6.097 1.00 0.00 H new ATOM 0 HG SER A 92 10.828 -8.334 -7.161 1.00 0.00 H new ATOM 1349 N LYS A 93 7.403 -9.460 -7.465 1.00 0.00 N ATOM 1350 CA LYS A 93 6.834 -9.339 -8.802 1.00 0.00 C ATOM 1351 C LYS A 93 5.853 -8.173 -8.873 1.00 0.00 C ATOM 1352 O LYS A 93 5.876 -7.386 -9.819 1.00 0.00 O ATOM 1353 CB LYS A 93 6.129 -10.638 -9.198 1.00 0.00 C ATOM 1354 CG LYS A 93 4.707 -10.742 -8.675 1.00 0.00 C ATOM 1355 CD LYS A 93 4.046 -12.040 -9.109 1.00 0.00 C ATOM 1356 CE LYS A 93 4.725 -13.247 -8.481 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.078 -14.524 -8.893 1.00 0.00 N ATOM 0 H LYS A 93 7.308 -10.386 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 93 7.649 -9.148 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.114 -10.717 -10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.707 -11.484 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.713 -10.682 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.122 -9.896 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.993 -12.026 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.084 -12.124 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.776 -13.263 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.693 -13.158 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.570 -15.323 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.081 -14.520 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.131 -14.622 -9.927 1.00 0.00 H new ATOM 1371 N TYR A 94 4.993 -8.068 -7.866 1.00 0.00 N ATOM 1372 CA TYR A 94 4.003 -6.998 -7.814 1.00 0.00 C ATOM 1373 C TYR A 94 4.613 -5.718 -7.251 1.00 0.00 C ATOM 1374 O TYR A 94 4.085 -4.624 -7.455 1.00 0.00 O ATOM 1375 CB TYR A 94 2.806 -7.424 -6.963 1.00 0.00 C ATOM 1376 CG TYR A 94 2.067 -8.623 -7.514 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.307 -8.523 -8.673 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.129 -9.855 -6.876 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.629 -9.615 -9.180 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.456 -10.953 -7.376 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.708 -10.828 -8.528 1.00 0.00 C ATOM 1382 OH TYR A 94 0.035 -11.919 -9.029 1.00 0.00 O ATOM 0 H TYR A 94 4.961 -8.711 -7.075 1.00 0.00 H new ATOM 0 HA TYR A 94 3.665 -6.800 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.151 -7.652 -5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.113 -6.587 -6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.245 -7.575 -9.187 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.713 -9.956 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.041 -9.519 -10.081 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.515 -11.904 -6.868 1.00 0.00 H new ATOM 0 HH TYR A 94 0.521 -12.738 -8.798 1.00 0.00 H new ATOM 1392 N CYS A 95 5.727 -5.864 -6.542 1.00 0.00 N ATOM 1393 CA CYS A 95 6.410 -4.720 -5.948 1.00 0.00 C ATOM 1394 C CYS A 95 7.204 -3.954 -7.001 1.00 0.00 C ATOM 1395 O CYS A 95 6.858 -2.827 -7.356 1.00 0.00 O ATOM 1396 CB CYS A 95 7.340 -5.182 -4.826 1.00 0.00 C ATOM 1397 SG CYS A 95 6.530 -6.189 -3.561 1.00 0.00 S ATOM 0 H CYS A 95 6.176 -6.762 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 95 5.655 -4.053 -5.532 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.159 -5.754 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.781 -4.306 -4.350 1.00 0.00 H new ATOM 0 HG CYS A 95 5.995 -7.235 -4.116 1.00 0.00 H new ATOM 1403 N TYR A 96 8.271 -4.572 -7.495 1.00 0.00 N ATOM 1404 CA TYR A 96 9.117 -3.947 -8.504 1.00 0.00 C ATOM 1405 C TYR A 96 9.302 -4.867 -9.707 1.00 0.00 C ATOM 1406 O TYR A 96 9.380 -4.411 -10.846 1.00 0.00 O ATOM 1407 CB TYR A 96 10.479 -3.589 -7.907 1.00 0.00 C ATOM 1408 CG TYR A 96 10.424 -2.457 -6.907 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.823 -2.628 -5.666 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.974 -1.215 -7.203 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.770 -1.595 -4.750 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.926 -0.177 -6.292 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.323 -0.372 -5.067 1.00 0.00 C ATOM 1414 OH TYR A 96 10.273 0.658 -4.157 1.00 0.00 O ATOM 0 H TYR A 96 8.570 -5.505 -7.213 1.00 0.00 H new ATOM 0 HA TYR A 96 8.624 -3.035 -8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.897 -4.471 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.160 -3.317 -8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.390 -3.585 -5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.447 -1.059 -8.161 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.298 -1.745 -3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.358 0.782 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 96 10.278 0.292 -3.248 1.00 0.00 H new ATOM 1424 N GLY A 97 9.370 -6.169 -9.443 1.00 0.00 N ATOM 1425 CA GLY A 97 9.544 -7.134 -10.512 1.00 0.00 C ATOM 1426 C GLY A 97 10.578 -8.191 -10.176 1.00 0.00 C ATOM 1427 O GLY A 97 11.418 -8.009 -9.295 1.00 0.00 O ATOM 0 H GLY A 97 9.308 -6.572 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.589 -7.617 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.843 -6.614 -11.422 1.00 0.00 H new ATOM 1431 N PRO A 98 10.523 -9.326 -10.889 1.00 0.00 N ATOM 1432 CA PRO A 98 11.454 -10.438 -10.679 1.00 0.00 C ATOM 1433 C PRO A 98 12.870 -10.104 -11.137 1.00 0.00 C ATOM 1434 O PRO A 98 13.779 -10.924 -11.019 1.00 0.00 O ATOM 1435 CB PRO A 98 10.865 -11.560 -11.537 1.00 0.00 C ATOM 1436 CG PRO A 98 10.087 -10.859 -12.596 1.00 0.00 C ATOM 1437 CD PRO A 98 9.548 -9.610 -11.955 1.00 0.00 C ATOM 0 HA PRO A 98 11.550 -10.695 -9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.649 -12.182 -11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.227 -12.217 -10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.720 -10.618 -13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.278 -11.488 -12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.482 -8.789 -12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.547 -9.765 -11.553 1.00 0.00 H new ATOM 1445 N GLN A 99 13.048 -8.894 -11.658 1.00 0.00 N ATOM 1446 CA GLN A 99 14.353 -8.453 -12.134 1.00 0.00 C ATOM 1447 C GLN A 99 15.054 -7.596 -11.085 1.00 0.00 C ATOM 1448 O GLN A 99 16.276 -7.640 -10.949 1.00 0.00 O ATOM 1449 CB GLN A 99 14.205 -7.665 -13.437 1.00 0.00 C ATOM 1450 CG GLN A 99 13.442 -6.360 -13.275 1.00 0.00 C ATOM 1451 CD GLN A 99 13.315 -5.593 -14.576 1.00 0.00 C ATOM 1452 OE1 GLN A 99 12.774 -6.100 -15.559 1.00 0.00 O ATOM 1453 NE2 GLN A 99 13.813 -4.362 -14.589 1.00 0.00 N ATOM 0 H GLN A 99 12.305 -8.203 -11.761 1.00 0.00 H new ATOM 0 HA GLN A 99 14.962 -9.338 -12.320 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.196 -7.450 -13.836 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.693 -8.287 -14.172 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.447 -6.572 -12.884 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.948 -5.737 -12.538 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.253 -3.981 -13.751 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.755 -3.797 -15.437 1.00 0.00 H new ATOM 1462 N GLY A 100 14.271 -6.817 -10.344 1.00 0.00 N ATOM 1463 CA GLY A 100 14.834 -5.961 -9.317 1.00 0.00 C ATOM 1464 C GLY A 100 14.669 -4.488 -9.634 1.00 0.00 C ATOM 1465 O GLY A 100 14.100 -4.129 -10.665 1.00 0.00 O ATOM 0 H GLY A 100 13.257 -6.764 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.354 -6.180 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.894 -6.188 -9.200 1.00 0.00 H new ATOM 1469 N SER A 101 15.167 -3.634 -8.747 1.00 0.00 N ATOM 1470 CA SER A 101 15.067 -2.191 -8.935 1.00 0.00 C ATOM 1471 C SER A 101 16.450 -1.567 -9.097 1.00 0.00 C ATOM 1472 O SER A 101 17.467 -2.256 -9.014 1.00 0.00 O ATOM 1473 CB SER A 101 14.342 -1.550 -7.751 1.00 0.00 C ATOM 1474 OG SER A 101 13.771 -0.305 -8.115 1.00 0.00 O ATOM 0 H SER A 101 15.644 -3.916 -7.891 1.00 0.00 H new ATOM 0 HA SER A 101 14.495 -2.007 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.561 -2.221 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.041 -1.406 -6.927 1.00 0.00 H new ATOM 0 HG SER A 101 12.866 -0.240 -7.746 1.00 0.00 H new ATOM 1480 N ARG A 102 16.479 -0.259 -9.329 1.00 0.00 N ATOM 1481 CA ARG A 102 17.736 0.459 -9.504 1.00 0.00 C ATOM 1482 C ARG A 102 18.063 1.292 -8.268 1.00 0.00 C ATOM 1483 O ARG A 102 19.050 1.036 -7.578 1.00 0.00 O ATOM 1484 CB ARG A 102 17.664 1.362 -10.736 1.00 0.00 C ATOM 1485 CG ARG A 102 17.647 0.599 -12.051 1.00 0.00 C ATOM 1486 CD ARG A 102 19.023 0.049 -12.393 1.00 0.00 C ATOM 1487 NE ARG A 102 19.165 -0.220 -13.822 1.00 0.00 N ATOM 1488 CZ ARG A 102 20.220 -0.826 -14.354 1.00 0.00 C ATOM 1489 NH1 ARG A 102 21.221 -1.224 -13.581 1.00 0.00 N ATOM 1490 NH2 ARG A 102 20.277 -1.034 -15.664 1.00 0.00 N ATOM 0 H ARG A 102 15.646 0.326 -9.400 1.00 0.00 H new ATOM 0 HA ARG A 102 18.529 -0.276 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.767 1.979 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.518 2.039 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.931 -0.221 -11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 102 17.308 1.257 -12.851 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.786 0.762 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.196 -0.870 -11.832 1.00 0.00 H new ATOM 0 HE ARG A 102 18.413 0.074 -14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.182 -1.065 -12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.030 -1.689 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.510 -0.728 -16.263 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.088 -1.500 -16.072 1.00 0.00 H new ATOM 1504 N SER A 103 17.228 2.289 -7.995 1.00 0.00 N ATOM 1505 CA SER A 103 17.430 3.163 -6.845 1.00 0.00 C ATOM 1506 C SER A 103 16.104 3.739 -6.360 1.00 0.00 C ATOM 1507 O SER A 103 15.461 4.540 -7.039 1.00 0.00 O ATOM 1508 CB SER A 103 18.392 4.297 -7.203 1.00 0.00 C ATOM 1509 OG SER A 103 19.113 4.733 -6.063 1.00 0.00 O ATOM 0 H SER A 103 16.405 2.512 -8.554 1.00 0.00 H new ATOM 0 HA SER A 103 17.863 2.569 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.088 3.959 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.833 5.132 -7.625 1.00 0.00 H new ATOM 0 HG SER A 103 19.722 5.457 -6.318 1.00 0.00 H new ATOM 1515 N PRO A 104 15.683 3.323 -5.157 1.00 0.00 N ATOM 1516 CA PRO A 104 16.440 2.370 -4.340 1.00 0.00 C ATOM 1517 C PRO A 104 16.436 0.966 -4.935 1.00 0.00 C ATOM 1518 O PRO A 104 15.395 0.463 -5.360 1.00 0.00 O ATOM 1519 CB PRO A 104 15.699 2.384 -3.000 1.00 0.00 C ATOM 1520 CG PRO A 104 14.310 2.803 -3.340 1.00 0.00 C ATOM 1521 CD PRO A 104 14.436 3.751 -4.501 1.00 0.00 C ATOM 0 HA PRO A 104 17.492 2.644 -4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 104 15.712 1.401 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.162 3.079 -2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 104 13.696 1.942 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 104 13.830 3.288 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 104 13.582 3.677 -5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 104 14.492 4.788 -4.169 1.00 0.00 H new ATOM 1529 N TYR A 105 17.606 0.338 -4.963 1.00 0.00 N ATOM 1530 CA TYR A 105 17.738 -1.008 -5.509 1.00 0.00 C ATOM 1531 C TYR A 105 17.056 -2.031 -4.606 1.00 0.00 C ATOM 1532 O TYR A 105 16.976 -1.848 -3.391 1.00 0.00 O ATOM 1533 CB TYR A 105 19.215 -1.369 -5.681 1.00 0.00 C ATOM 1534 CG TYR A 105 19.449 -2.830 -5.990 1.00 0.00 C ATOM 1535 CD1 TYR A 105 19.259 -3.805 -5.018 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.862 -3.236 -7.253 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.472 -5.141 -5.296 1.00 0.00 C ATOM 1538 CE2 TYR A 105 20.077 -4.570 -7.540 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.881 -5.519 -6.558 1.00 0.00 C ATOM 1540 OH TYR A 105 20.095 -6.849 -6.839 1.00 0.00 O ATOM 0 H TYR A 105 18.477 0.739 -4.614 1.00 0.00 H new ATOM 0 HA TYR A 105 17.250 -1.027 -6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.637 -0.764 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.753 -1.108 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.939 -3.513 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 105 20.018 -2.496 -8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.319 -5.886 -4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.397 -4.868 -8.528 1.00 0.00 H new ATOM 0 HH TYR A 105 20.378 -6.945 -7.772 1.00 0.00 H new ATOM 1550 N ILE A 106 16.565 -3.109 -5.210 1.00 0.00 N ATOM 1551 CA ILE A 106 15.891 -4.162 -4.462 1.00 0.00 C ATOM 1552 C ILE A 106 16.091 -5.521 -5.124 1.00 0.00 C ATOM 1553 O ILE A 106 16.075 -5.651 -6.348 1.00 0.00 O ATOM 1554 CB ILE A 106 14.381 -3.884 -4.333 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.646 -4.345 -5.593 1.00 0.00 C ATOM 1556 CG2 ILE A 106 14.135 -2.403 -4.083 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.291 -5.816 -5.581 1.00 0.00 C ATOM 0 H ILE A 106 16.622 -3.275 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 106 16.336 -4.176 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 106 13.994 -4.446 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.733 -3.760 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.268 -4.137 -6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 106 13.064 -2.222 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.632 -2.102 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.533 -1.822 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.772 -6.073 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.202 -6.409 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.643 -6.027 -4.730 1.00 0.00 H new ATOM 1569 N PRO A 107 16.283 -6.560 -4.297 1.00 0.00 N ATOM 1570 CA PRO A 107 16.487 -7.929 -4.780 1.00 0.00 C ATOM 1571 C PRO A 107 15.223 -8.523 -5.391 1.00 0.00 C ATOM 1572 O PRO A 107 14.104 -8.237 -4.963 1.00 0.00 O ATOM 1573 CB PRO A 107 16.881 -8.696 -3.515 1.00 0.00 C ATOM 1574 CG PRO A 107 16.277 -7.918 -2.397 1.00 0.00 C ATOM 1575 CD PRO A 107 16.314 -6.478 -2.827 1.00 0.00 C ATOM 0 HA PRO A 107 17.234 -7.974 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.501 -9.717 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.964 -8.761 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.254 -8.242 -2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.837 -8.064 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.462 -5.920 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.213 -5.975 -2.471 1.00 0.00 H new ATOM 1583 N PRO A 108 15.402 -9.370 -6.415 1.00 0.00 N ATOM 1584 CA PRO A 108 14.286 -10.023 -7.107 1.00 0.00 C ATOM 1585 C PRO A 108 13.596 -11.067 -6.236 1.00 0.00 C ATOM 1586 O PRO A 108 14.163 -11.541 -5.250 1.00 0.00 O ATOM 1587 CB PRO A 108 14.956 -10.689 -8.311 1.00 0.00 C ATOM 1588 CG PRO A 108 16.368 -10.904 -7.888 1.00 0.00 C ATOM 1589 CD PRO A 108 16.707 -9.756 -6.977 1.00 0.00 C ATOM 0 HA PRO A 108 13.502 -9.315 -7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.470 -11.632 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.900 -10.055 -9.196 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.480 -11.858 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.034 -10.928 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.408 -10.055 -6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.169 -8.933 -7.522 1.00 0.00 H new ATOM 1597 N HIS A 109 12.369 -11.422 -6.605 1.00 0.00 N ATOM 1598 CA HIS A 109 11.602 -12.412 -5.857 1.00 0.00 C ATOM 1599 C HIS A 109 11.727 -12.175 -4.355 1.00 0.00 C ATOM 1600 O HIS A 109 11.614 -13.106 -3.559 1.00 0.00 O ATOM 1601 CB HIS A 109 12.076 -13.824 -6.204 1.00 0.00 C ATOM 1602 CG HIS A 109 11.963 -14.153 -7.661 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.866 -14.676 -8.523 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.813 -13.945 -8.392 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.250 -14.775 -9.746 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.012 -14.328 -9.640 1.00 0.00 N flip ATOM 0 H HIS A 109 11.885 -11.039 -7.417 1.00 0.00 H new ATOM 0 HA HIS A 109 10.553 -12.310 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.115 -13.936 -5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.493 -14.545 -5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 109 13.825 -14.946 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.893 -13.533 -8.005 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.704 -15.157 -10.648 1.00 0.00 H new ATOM 1615 N ALA A 110 11.963 -10.923 -3.976 1.00 0.00 N ATOM 1616 CA ALA A 110 12.102 -10.564 -2.571 1.00 0.00 C ATOM 1617 C ALA A 110 10.882 -9.793 -2.077 1.00 0.00 C ATOM 1618 O ALA A 110 10.786 -8.580 -2.264 1.00 0.00 O ATOM 1619 CB ALA A 110 13.367 -9.746 -2.358 1.00 0.00 C ATOM 0 H ALA A 110 12.062 -10.141 -4.623 1.00 0.00 H new ATOM 0 HA ALA A 110 12.176 -11.485 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.458 -9.485 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.234 -10.331 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.316 -8.835 -2.954 1.00 0.00 H new ATOM 1625 N ALA A 111 9.953 -10.504 -1.447 1.00 0.00 N ATOM 1626 CA ALA A 111 8.741 -9.886 -0.926 1.00 0.00 C ATOM 1627 C ALA A 111 9.066 -8.632 -0.121 1.00 0.00 C ATOM 1628 O ALA A 111 10.198 -8.446 0.326 1.00 0.00 O ATOM 1629 CB ALA A 111 7.967 -10.879 -0.072 1.00 0.00 C ATOM 0 H ALA A 111 10.017 -11.509 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 111 8.121 -9.591 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.064 -10.403 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.693 -11.743 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.588 -11.203 0.763 1.00 0.00 H new ATOM 1635 N LEU A 112 8.067 -7.776 0.060 1.00 0.00 N ATOM 1636 CA LEU A 112 8.247 -6.538 0.812 1.00 0.00 C ATOM 1637 C LEU A 112 6.950 -6.127 1.502 1.00 0.00 C ATOM 1638 O LEU A 112 5.877 -6.163 0.901 1.00 0.00 O ATOM 1639 CB LEU A 112 8.721 -5.419 -0.117 1.00 0.00 C ATOM 1640 CG LEU A 112 9.991 -5.704 -0.918 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.982 -4.930 -2.227 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.227 -5.357 -0.100 1.00 0.00 C ATOM 0 H LEU A 112 7.124 -7.916 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 112 9.004 -6.712 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.917 -5.191 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.886 -4.523 0.481 1.00 0.00 H new ATOM 0 HG LEU A 112 10.020 -6.769 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.894 -5.146 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.117 -5.227 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.929 -3.862 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.122 -5.566 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.204 -4.299 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.241 -5.957 0.810 1.00 0.00 H new ATOM 1654 N CYS A 113 7.059 -5.736 2.767 1.00 0.00 N ATOM 1655 CA CYS A 113 5.895 -5.316 3.540 1.00 0.00 C ATOM 1656 C CYS A 113 5.516 -3.875 3.212 1.00 0.00 C ATOM 1657 O CYS A 113 6.360 -2.979 3.235 1.00 0.00 O ATOM 1658 CB CYS A 113 6.173 -5.455 5.037 1.00 0.00 C ATOM 1659 SG CYS A 113 6.946 -4.000 5.782 1.00 0.00 S ATOM 0 H CYS A 113 7.941 -5.701 3.279 1.00 0.00 H new ATOM 0 HA CYS A 113 5.059 -5.963 3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 113 5.235 -5.659 5.553 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.819 -6.318 5.197 1.00 0.00 H new ATOM 0 HG CYS A 113 7.002 -3.042 4.905 1.00 0.00 H new ATOM 1665 N LEU A 114 4.241 -3.660 2.906 1.00 0.00 N ATOM 1666 CA LEU A 114 3.749 -2.327 2.572 1.00 0.00 C ATOM 1667 C LEU A 114 2.493 -1.994 3.370 1.00 0.00 C ATOM 1668 O LEU A 114 1.483 -2.691 3.275 1.00 0.00 O ATOM 1669 CB LEU A 114 3.455 -2.232 1.074 1.00 0.00 C ATOM 1670 CG LEU A 114 4.515 -2.822 0.142 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.048 -2.761 -1.304 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.838 -2.089 0.309 1.00 0.00 C ATOM 0 H LEU A 114 3.530 -4.391 2.882 1.00 0.00 H new ATOM 0 HA LEU A 114 4.523 -1.605 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.508 -2.734 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.318 -1.182 0.817 1.00 0.00 H new ATOM 0 HG LEU A 114 4.665 -3.868 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.815 -3.185 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.125 -3.331 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.869 -1.723 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.581 -2.522 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.703 -1.034 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.180 -2.185 1.340 1.00 0.00 H new ATOM 1684 N GLU A 115 2.564 -0.924 4.156 1.00 0.00 N ATOM 1685 CA GLU A 115 1.431 -0.499 4.970 1.00 0.00 C ATOM 1686 C GLU A 115 0.659 0.624 4.283 1.00 0.00 C ATOM 1687 O GLU A 115 1.134 1.757 4.195 1.00 0.00 O ATOM 1688 CB GLU A 115 1.910 -0.035 6.347 1.00 0.00 C ATOM 1689 CG GLU A 115 0.801 0.045 7.382 1.00 0.00 C ATOM 1690 CD GLU A 115 1.219 0.800 8.628 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.159 1.618 8.540 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.605 0.574 9.692 1.00 0.00 O ATOM 0 H GLU A 115 3.393 -0.336 4.246 1.00 0.00 H new ATOM 0 HA GLU A 115 0.764 -1.352 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.680 -0.719 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.375 0.946 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.068 0.533 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.494 -0.964 7.659 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.535 0.301 3.795 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.374 1.282 3.116 1.00 0.00 C ATOM 1701 C VAL A 116 -2.300 1.987 4.100 1.00 0.00 C ATOM 1702 O VAL A 116 -2.951 1.347 4.927 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.221 0.625 2.010 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.845 1.685 1.115 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.376 -0.342 1.196 1.00 0.00 C ATOM 0 H VAL A 116 -0.943 -0.632 3.857 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.705 2.014 2.664 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.026 0.061 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.440 1.202 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.485 2.334 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.058 2.279 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.990 -0.797 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.549 0.197 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.982 -1.120 1.850 1.00 0.00 H new ATOM 1715 N THR A 117 -2.357 3.312 4.006 1.00 0.00 N ATOM 1716 CA THR A 117 -3.203 4.106 4.887 1.00 0.00 C ATOM 1717 C THR A 117 -3.884 5.237 4.124 1.00 0.00 C ATOM 1718 O THR A 117 -3.253 6.237 3.783 1.00 0.00 O ATOM 1719 CB THR A 117 -2.394 4.704 6.054 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.745 3.658 6.786 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.296 5.498 6.987 1.00 0.00 C ATOM 0 H THR A 117 -1.826 3.858 3.327 1.00 0.00 H new ATOM 0 HA THR A 117 -3.961 3.433 5.287 1.00 0.00 H new ATOM 0 HB THR A 117 -1.644 5.377 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.232 4.046 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.703 5.910 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.767 6.311 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.066 4.842 7.394 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.176 5.072 3.860 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.944 6.080 3.138 1.00 0.00 C ATOM 1731 C LEU A 118 -6.153 7.323 3.996 1.00 0.00 C ATOM 1732 O LEU A 118 -7.025 7.351 4.866 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.296 5.508 2.709 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.891 6.085 1.423 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.410 7.495 1.661 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.857 6.077 0.307 1.00 0.00 C ATOM 0 H LEU A 118 -5.713 4.250 4.135 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.379 6.365 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.189 4.430 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.009 5.667 3.518 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.729 5.458 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.830 7.889 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.183 7.473 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.590 8.134 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.297 6.491 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.999 6.681 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.533 5.053 0.119 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.351 8.352 3.745 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.450 9.600 4.491 1.00 0.00 C ATOM 1750 C LYS A 119 -6.631 10.433 4.004 1.00 0.00 C ATOM 1751 O LYS A 119 -7.542 10.747 4.772 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.155 10.404 4.354 1.00 0.00 C ATOM 1753 CG LYS A 119 -2.925 9.666 4.853 1.00 0.00 C ATOM 1754 CD LYS A 119 -2.700 9.896 6.338 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.622 9.029 7.182 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.068 8.795 8.545 1.00 0.00 N ATOM 0 H LYS A 119 -4.624 8.346 3.029 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.609 9.355 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.010 10.668 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.257 11.338 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.038 8.599 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.049 9.999 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.662 9.676 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.869 10.947 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.598 9.508 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.778 8.072 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.725 8.200 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.149 8.315 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.943 9.706 9.030 1.00 0.00 H new ATOM 1770 N THR A 120 -6.612 10.788 2.723 1.00 0.00 N ATOM 1771 CA THR A 120 -7.681 11.583 2.134 1.00 0.00 C ATOM 1772 C THR A 120 -7.703 11.438 0.617 1.00 0.00 C ATOM 1773 O THR A 120 -6.655 11.422 -0.030 1.00 0.00 O ATOM 1774 CB THR A 120 -7.536 13.074 2.494 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.179 13.493 2.308 1.00 0.00 O ATOM 1776 CG2 THR A 120 -7.957 13.327 3.934 1.00 0.00 C ATOM 0 H THR A 120 -5.867 10.537 2.073 1.00 0.00 H new ATOM 0 HA THR A 120 -8.618 11.207 2.545 1.00 0.00 H new ATOM 0 HB THR A 120 -8.187 13.649 1.836 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.095 14.442 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.846 14.386 4.165 1.00 0.00 H new ATOM 0 HG22 THR A 120 -8.999 13.034 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.328 12.742 4.605 1.00 0.00 H new ATOM 1784 N ALA A 121 -8.902 11.334 0.054 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.059 11.193 -1.389 1.00 0.00 C ATOM 1786 C ALA A 121 -9.837 12.368 -1.973 1.00 0.00 C ATOM 1787 O ALA A 121 -11.008 12.570 -1.653 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.754 9.881 -1.718 1.00 0.00 C ATOM 0 H ALA A 121 -9.779 11.345 0.575 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.067 11.188 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.865 9.789 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.158 9.049 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.738 9.863 -1.250 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.178 13.139 -2.832 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.808 14.294 -3.462 1.00 0.00 C ATOM 1796 C VAL A 122 -9.538 14.317 -4.962 1.00 0.00 C ATOM 1797 O VAL A 122 -8.943 13.389 -5.510 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.310 15.613 -2.841 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.576 15.633 -1.344 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.830 15.812 -3.131 1.00 0.00 C ATOM 0 H VAL A 122 -8.208 12.985 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.881 14.203 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.860 16.438 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.217 16.572 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.647 15.540 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.055 14.801 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.495 16.748 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.262 14.984 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.672 15.846 -4.209 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.979 15.383 -5.620 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.784 15.528 -7.058 1.00 0.00 C ATOM 1812 C ASP A 123 -8.600 16.442 -7.356 1.00 0.00 C ATOM 1813 O ASP A 123 -7.860 16.223 -8.316 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.051 16.082 -7.713 1.00 0.00 C ATOM 1815 CG ASP A 123 -11.101 15.805 -9.202 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -11.341 14.639 -9.581 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -10.901 16.753 -9.990 1.00 0.00 O ATOM 0 H ASP A 123 -10.474 16.159 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.572 14.542 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.926 15.642 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.103 17.158 -7.544 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.429 17.468 -6.529 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.336 18.417 -6.706 1.00 0.00 C ATOM 1824 C ARG A 124 -6.089 17.956 -5.957 1.00 0.00 C ATOM 1825 O ARG A 124 -6.165 17.332 -4.899 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.754 19.805 -6.216 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.857 20.439 -7.048 1.00 0.00 C ATOM 1828 CD ARG A 124 -10.234 20.078 -6.515 1.00 0.00 C ATOM 1829 NE ARG A 124 -10.685 21.012 -5.487 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.943 21.094 -5.069 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -12.871 20.301 -5.588 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.276 21.970 -4.129 1.00 0.00 N ATOM 0 H ARG A 124 -9.033 17.663 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.102 18.469 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.089 19.730 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.883 20.461 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.738 21.522 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.768 20.109 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.950 20.070 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.210 19.069 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.996 21.636 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.619 19.626 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -13.836 20.366 -5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.565 22.581 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.243 22.032 -3.809 1.00 0.00 H new ATOM 1846 N PRO A 125 -4.912 18.270 -6.519 1.00 0.00 N ATOM 1847 CA PRO A 125 -3.626 17.897 -5.922 1.00 0.00 C ATOM 1848 C PRO A 125 -3.334 18.674 -4.643 1.00 0.00 C ATOM 1849 O PRO A 125 -3.690 19.847 -4.523 1.00 0.00 O ATOM 1850 CB PRO A 125 -2.612 18.258 -7.011 1.00 0.00 C ATOM 1851 CG PRO A 125 -3.276 19.327 -7.807 1.00 0.00 C ATOM 1852 CD PRO A 125 -4.746 19.012 -7.780 1.00 0.00 C ATOM 0 HA PRO A 125 -3.601 16.848 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.675 18.610 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.372 17.394 -7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -3.080 20.310 -7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -2.899 19.343 -8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.352 19.918 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.045 18.414 -8.641 1.00 0.00 H new ATOM 1860 N ASP A 126 -2.684 18.015 -3.691 1.00 0.00 N ATOM 1861 CA ASP A 126 -2.342 18.645 -2.421 1.00 0.00 C ATOM 1862 C ASP A 126 -1.800 20.053 -2.642 1.00 0.00 C ATOM 1863 O ASP A 126 -2.067 20.963 -1.856 1.00 0.00 O ATOM 1864 CB ASP A 126 -1.312 17.800 -1.669 1.00 0.00 C ATOM 1865 CG ASP A 126 0.105 18.056 -2.144 1.00 0.00 C ATOM 1866 OD1 ASP A 126 0.662 19.119 -1.802 1.00 0.00 O ATOM 1867 OD2 ASP A 126 0.656 17.193 -2.860 1.00 0.00 O ATOM 0 H ASP A 126 -2.383 17.044 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 126 -3.250 18.715 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -1.379 18.015 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.550 16.744 -1.797 1.00 0.00 H new ATOM 1872 N LEU A 127 -1.035 20.226 -3.714 1.00 0.00 N ATOM 1873 CA LEU A 127 -0.454 21.524 -4.038 1.00 0.00 C ATOM 1874 C LEU A 127 -1.518 22.481 -4.566 1.00 0.00 C ATOM 1875 O LEU A 127 -1.942 22.378 -5.717 1.00 0.00 O ATOM 1876 CB LEU A 127 0.661 21.361 -5.073 1.00 0.00 C ATOM 1877 CG LEU A 127 1.722 22.462 -5.095 1.00 0.00 C ATOM 1878 CD1 LEU A 127 2.068 22.899 -3.680 1.00 0.00 C ATOM 1879 CD2 LEU A 127 2.968 21.987 -5.828 1.00 0.00 C ATOM 0 H LEU A 127 -0.803 19.484 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.035 21.945 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.159 20.408 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.206 21.303 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 127 1.315 23.321 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.825 23.683 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.173 23.280 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.455 22.047 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 127 3.712 22.783 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.376 21.112 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 127 2.709 21.725 -6.854 1.00 0.00 H new ATOM 1891 N GLU A 128 -1.942 23.412 -3.718 1.00 0.00 N ATOM 1892 CA GLU A 128 -2.956 24.388 -4.101 1.00 0.00 C ATOM 1893 C GLU A 128 -2.402 25.375 -5.124 1.00 0.00 C ATOM 1894 O GLU A 128 -1.188 25.490 -5.297 1.00 0.00 O ATOM 1895 CB GLU A 128 -3.459 25.143 -2.869 1.00 0.00 C ATOM 1896 CG GLU A 128 -4.441 24.346 -2.026 1.00 0.00 C ATOM 1897 CD GLU A 128 -4.742 25.012 -0.697 1.00 0.00 C ATOM 1898 OE1 GLU A 128 -5.161 26.188 -0.703 1.00 0.00 O ATOM 1899 OE2 GLU A 128 -4.559 24.355 0.350 1.00 0.00 O ATOM 0 H GLU A 128 -1.600 23.511 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.789 23.850 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.606 25.422 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.937 26.069 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.370 24.216 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.035 23.350 -1.846 1.00 0.00 H new ATOM 1906 N MET A 129 -3.300 26.084 -5.801 1.00 0.00 N ATOM 1907 CA MET A 129 -2.901 27.061 -6.807 1.00 0.00 C ATOM 1908 C MET A 129 -1.945 26.439 -7.820 1.00 0.00 C ATOM 1909 O MET A 129 -0.951 27.053 -8.207 1.00 0.00 O ATOM 1910 CB MET A 129 -2.241 28.270 -6.141 1.00 0.00 C ATOM 1911 CG MET A 129 -3.222 29.370 -5.769 1.00 0.00 C ATOM 1912 SD MET A 129 -4.246 28.936 -4.349 1.00 0.00 S ATOM 1913 CE MET A 129 -5.880 28.988 -5.082 1.00 0.00 C ATOM 0 H MET A 129 -4.308 26.000 -5.671 1.00 0.00 H new ATOM 0 HA MET A 129 -3.797 27.390 -7.334 1.00 0.00 H new ATOM 0 HB2 MET A 129 -1.720 27.940 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 129 -1.487 28.679 -6.814 1.00 0.00 H new ATOM 0 HG2 MET A 129 -2.671 30.284 -5.549 1.00 0.00 H new ATOM 0 HG3 MET A 129 -3.864 29.583 -6.624 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.626 28.741 -4.326 1.00 0.00 H new ATOM 0 HE2 MET A 129 -6.073 29.988 -5.469 1.00 0.00 H new ATOM 0 HE3 MET A 129 -5.936 28.266 -5.897 1.00 0.00 H new ATOM 1923 N SER A 130 -2.252 25.218 -8.245 1.00 0.00 N ATOM 1924 CA SER A 130 -1.418 24.512 -9.210 1.00 0.00 C ATOM 1925 C SER A 130 -1.185 25.364 -10.453 1.00 0.00 C ATOM 1926 O SER A 130 -1.769 26.437 -10.603 1.00 0.00 O ATOM 1927 CB SER A 130 -2.068 23.183 -9.602 1.00 0.00 C ATOM 1928 OG SER A 130 -3.206 23.395 -10.420 1.00 0.00 O ATOM 0 H SER A 130 -3.073 24.697 -7.936 1.00 0.00 H new ATOM 0 HA SER A 130 -0.454 24.312 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 130 -1.345 22.563 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.358 22.637 -8.704 1.00 0.00 H new ATOM 0 HG SER A 130 -3.603 22.531 -10.659 1.00 0.00 H new ATOM 1934 N GLY A 131 -0.326 24.878 -11.345 1.00 0.00 N ATOM 1935 CA GLY A 131 -0.030 25.607 -12.564 1.00 0.00 C ATOM 1936 C GLY A 131 -1.104 25.432 -13.619 1.00 0.00 C ATOM 1937 O GLY A 131 -1.472 24.314 -13.982 1.00 0.00 O ATOM 0 H GLY A 131 0.170 23.992 -11.244 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.079 26.667 -12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 131 0.926 25.268 -12.963 1.00 0.00 H new ATOM 1941 N PRO A 132 -1.627 26.557 -14.129 1.00 0.00 N ATOM 1942 CA PRO A 132 -2.674 26.549 -15.156 1.00 0.00 C ATOM 1943 C PRO A 132 -2.158 26.060 -16.505 1.00 0.00 C ATOM 1944 O PRO A 132 -0.978 26.208 -16.820 1.00 0.00 O ATOM 1945 CB PRO A 132 -3.095 28.017 -15.245 1.00 0.00 C ATOM 1946 CG PRO A 132 -1.902 28.782 -14.783 1.00 0.00 C ATOM 1947 CD PRO A 132 -1.236 27.923 -13.744 1.00 0.00 C ATOM 0 HA PRO A 132 -3.490 25.872 -14.901 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -3.369 28.289 -16.264 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -3.962 28.219 -14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.225 28.987 -15.612 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.194 29.745 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -0.153 28.049 -13.753 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.578 28.171 -12.739 1.00 0.00 H new ATOM 1955 N SER A 133 -3.052 25.477 -17.299 1.00 0.00 N ATOM 1956 CA SER A 133 -2.686 24.963 -18.613 1.00 0.00 C ATOM 1957 C SER A 133 -3.842 25.117 -19.597 1.00 0.00 C ATOM 1958 O SER A 133 -4.998 24.866 -19.258 1.00 0.00 O ATOM 1959 CB SER A 133 -2.278 23.492 -18.514 1.00 0.00 C ATOM 1960 OG SER A 133 -2.191 22.899 -19.798 1.00 0.00 O ATOM 0 H SER A 133 -4.034 25.349 -17.055 1.00 0.00 H new ATOM 0 HA SER A 133 -1.839 25.543 -18.980 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.316 23.411 -18.007 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.004 22.950 -17.908 1.00 0.00 H new ATOM 0 HG SER A 133 -1.927 21.960 -19.707 1.00 0.00 H new ATOM 1966 N SER A 134 -3.520 25.530 -20.819 1.00 0.00 N ATOM 1967 CA SER A 134 -4.530 25.721 -21.852 1.00 0.00 C ATOM 1968 C SER A 134 -4.883 24.395 -22.519 1.00 0.00 C ATOM 1969 O SER A 134 -4.005 23.596 -22.841 1.00 0.00 O ATOM 1970 CB SER A 134 -4.034 26.717 -22.903 1.00 0.00 C ATOM 1971 OG SER A 134 -4.152 28.050 -22.437 1.00 0.00 O ATOM 0 H SER A 134 -2.567 25.739 -21.117 1.00 0.00 H new ATOM 0 HA SER A 134 -5.427 26.120 -21.378 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.993 26.505 -23.148 1.00 0.00 H new ATOM 0 HB3 SER A 134 -4.608 26.597 -23.822 1.00 0.00 H new ATOM 0 HG SER A 134 -3.827 28.667 -23.125 1.00 0.00 H new ATOM 1977 N GLY A 135 -6.177 24.168 -22.724 1.00 0.00 N ATOM 1978 CA GLY A 135 -6.625 22.939 -23.351 1.00 0.00 C ATOM 1979 C GLY A 135 -6.582 23.010 -24.864 1.00 0.00 C ATOM 1980 O GLY A 135 -6.394 21.995 -25.535 1.00 0.00 O ATOM 0 H GLY A 135 -6.923 24.814 -22.467 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.000 22.113 -23.011 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -7.644 22.721 -23.030 1.00 0.00 H new TER 1984 GLY A 135