USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 26 GLN : amide:sc= -0.106 K(o=0.56,f=-0.46) USER MOD Set 1.2: A 108 THR OG1 : rot 53:sc= 0.663 USER MOD Set 2.1: A 53 MET CE :methyl -170:sc= -0.348 (180deg=-0.516) USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= -0.0198 USER MOD Set 3.1: A 72 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.6!) USER MOD Set 3.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 73 MET CE :methyl 160:sc= -0.013 (180deg=-0.674) USER MOD Set 4.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 59 TYR OH : rot -32:sc= 1.69 USER MOD Set 6.2: A 63 LYS NZ :NH3+ 148:sc= 1.02 (180deg=0.0948) USER MOD Set 7.1: A 23 GLN : amide:sc= 0.746 K(o=0.43,f=1.6) USER MOD Set 7.2: A 25 ASN : amide:sc= -0.319 K(o=0.43,f=1.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.404 K(o=0.4,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 46 MET CE :methyl -174:sc= 0 (180deg=-0.0346) USER MOD Single : A 48 THR OG1 : rot -82:sc= 0.709 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 166:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.14 K(o=1.1,f=-0.32) USER MOD Single : A 64 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.0077) USER MOD Single : A 68 GLN : amide:sc= -0.683! C(o=-0.68!,f=-1.2!) USER MOD Single : A 69 GLN : amide:sc= 0.871 K(o=0.87,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.751 K(o=0.75,f=-0.046) USER MOD Single : A 76 CYS SG : rot 0:sc= -0.167 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.375 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 177:sc= -0.714 (180deg=-0.718) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.4) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 6.367 14.231 13.440 1.00 0.00 N ATOM 2 CA GLN A 23 7.468 13.503 12.803 1.00 0.00 C ATOM 3 C GLN A 23 6.981 12.431 11.803 1.00 0.00 C ATOM 4 O GLN A 23 5.935 11.806 12.003 1.00 0.00 O ATOM 5 CB GLN A 23 8.418 12.931 13.875 1.00 0.00 C ATOM 6 CG GLN A 23 7.743 12.004 14.904 1.00 0.00 C ATOM 7 CD GLN A 23 8.757 11.424 15.889 1.00 0.00 C ATOM 8 OE1 GLN A 23 9.283 10.333 15.704 1.00 0.00 O ATOM 9 NE2 GLN A 23 9.090 12.125 16.955 1.00 0.00 N ATOM 0 HA GLN A 23 8.032 14.214 12.199 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.216 12.379 13.377 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.887 13.760 14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.981 12.560 15.450 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.234 11.192 14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.660 13.035 17.122 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.777 11.757 17.613 1.00 0.00 H new ATOM 18 N ILE A 24 7.745 12.212 10.723 1.00 0.00 N ATOM 19 CA ILE A 24 7.328 11.392 9.567 1.00 0.00 C ATOM 20 C ILE A 24 7.619 9.889 9.701 1.00 0.00 C ATOM 21 O ILE A 24 6.783 9.067 9.326 1.00 0.00 O ATOM 22 CB ILE A 24 7.915 12.019 8.275 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.005 13.160 7.777 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.122 10.972 7.175 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.659 14.090 6.745 1.00 0.00 C ATOM 0 H ILE A 24 8.682 12.602 10.623 1.00 0.00 H new ATOM 0 HA ILE A 24 6.239 11.416 9.520 1.00 0.00 H new ATOM 0 HB ILE A 24 8.895 12.428 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.106 12.726 7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.687 13.755 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.534 11.453 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.813 10.206 7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.166 10.511 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.949 14.863 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.541 14.556 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.952 13.512 5.868 1.00 0.00 H new ATOM 37 N ASN A 25 8.791 9.530 10.239 1.00 0.00 N ATOM 38 CA ASN A 25 9.246 8.137 10.430 1.00 0.00 C ATOM 39 C ASN A 25 9.479 7.338 9.119 1.00 0.00 C ATOM 40 O ASN A 25 9.193 6.143 9.011 1.00 0.00 O ATOM 41 CB ASN A 25 8.367 7.408 11.469 1.00 0.00 C ATOM 42 CG ASN A 25 8.699 7.781 12.901 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.862 6.951 13.785 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.814 9.062 13.150 1.00 0.00 N ATOM 0 H ASN A 25 9.472 10.216 10.564 1.00 0.00 H new ATOM 0 HA ASN A 25 10.252 8.198 10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.320 7.638 11.274 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.486 6.332 11.344 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.043 9.380 14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.675 9.741 12.402 1.00 0.00 H new ATOM 51 N GLN A 26 10.009 8.027 8.109 1.00 0.00 N ATOM 52 CA GLN A 26 10.334 7.534 6.760 1.00 0.00 C ATOM 53 C GLN A 26 11.770 7.895 6.342 1.00 0.00 C ATOM 54 O GLN A 26 12.535 8.436 7.138 1.00 0.00 O ATOM 55 CB GLN A 26 9.205 7.804 5.754 1.00 0.00 C ATOM 56 CG GLN A 26 8.261 6.583 5.775 1.00 0.00 C ATOM 57 CD GLN A 26 8.902 5.349 5.125 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.140 5.287 3.927 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.308 4.366 5.901 1.00 0.00 N ATOM 0 H GLN A 26 10.241 9.015 8.214 1.00 0.00 H new ATOM 0 HA GLN A 26 10.367 6.445 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.663 8.712 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.611 7.957 4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.991 6.351 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.337 6.830 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.121 4.397 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.810 3.574 5.500 1.00 0.00 H new ATOM 68 N VAL A 27 12.169 7.517 5.127 1.00 0.00 N ATOM 69 CA VAL A 27 13.575 7.522 4.678 1.00 0.00 C ATOM 70 C VAL A 27 13.957 8.672 3.745 1.00 0.00 C ATOM 71 O VAL A 27 13.128 9.213 3.015 1.00 0.00 O ATOM 72 CB VAL A 27 13.878 6.150 4.030 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.338 5.949 3.599 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.551 4.984 4.981 1.00 0.00 C ATOM 0 H VAL A 27 11.519 7.192 4.411 1.00 0.00 H new ATOM 0 HA VAL A 27 14.192 7.690 5.560 1.00 0.00 H new ATOM 0 HB VAL A 27 13.242 6.152 3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.454 4.960 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.609 6.709 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.989 6.036 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.778 4.038 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.150 5.074 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.493 5.013 5.242 1.00 0.00 H new ATOM 84 N ARG A 28 15.242 9.052 3.788 1.00 0.00 N ATOM 85 CA ARG A 28 15.852 10.056 2.911 1.00 0.00 C ATOM 86 C ARG A 28 16.426 9.449 1.613 1.00 0.00 C ATOM 87 O ARG A 28 17.115 8.428 1.680 1.00 0.00 O ATOM 88 CB ARG A 28 16.880 10.890 3.701 1.00 0.00 C ATOM 89 CG ARG A 28 18.132 10.139 4.186 1.00 0.00 C ATOM 90 CD ARG A 28 19.048 11.083 4.977 1.00 0.00 C ATOM 91 NE ARG A 28 20.256 10.382 5.460 1.00 0.00 N ATOM 92 CZ ARG A 28 20.430 9.772 6.622 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.494 9.709 7.528 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.568 9.203 6.898 1.00 0.00 N ATOM 0 H ARG A 28 15.904 8.656 4.455 1.00 0.00 H new ATOM 0 HA ARG A 28 15.068 10.732 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.201 11.722 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.379 11.319 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.839 9.297 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.672 9.729 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.340 11.922 4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.502 11.497 5.825 1.00 0.00 H new ATOM 0 HE ARG A 28 21.051 10.366 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.586 10.140 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.670 9.229 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.328 9.227 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.699 8.734 7.794 1.00 0.00 H new ATOM 108 N PRO A 29 16.183 10.057 0.436 1.00 0.00 N ATOM 109 CA PRO A 29 16.844 9.687 -0.818 1.00 0.00 C ATOM 110 C PRO A 29 18.324 10.122 -0.840 1.00 0.00 C ATOM 111 O PRO A 29 18.762 10.934 -0.019 1.00 0.00 O ATOM 112 CB PRO A 29 16.031 10.399 -1.899 1.00 0.00 C ATOM 113 CG PRO A 29 15.499 11.649 -1.211 1.00 0.00 C ATOM 114 CD PRO A 29 15.289 11.188 0.227 1.00 0.00 C ATOM 0 HA PRO A 29 16.870 8.607 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.650 10.652 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.219 9.770 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.208 12.475 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.569 11.994 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.511 11.992 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.252 10.898 0.393 1.00 0.00 H new ATOM 122 N LYS A 30 19.089 9.621 -1.819 1.00 0.00 N ATOM 123 CA LYS A 30 20.462 10.082 -2.115 1.00 0.00 C ATOM 124 C LYS A 30 20.452 11.521 -2.666 1.00 0.00 C ATOM 125 O LYS A 30 19.433 12.021 -3.144 1.00 0.00 O ATOM 126 CB LYS A 30 21.140 9.071 -3.073 1.00 0.00 C ATOM 127 CG LYS A 30 22.534 8.557 -2.670 1.00 0.00 C ATOM 128 CD LYS A 30 23.671 9.581 -2.834 1.00 0.00 C ATOM 129 CE LYS A 30 25.058 8.922 -2.899 1.00 0.00 C ATOM 130 NZ LYS A 30 25.460 8.278 -1.615 1.00 0.00 N ATOM 0 H LYS A 30 18.773 8.875 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 30 21.050 10.118 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.479 8.211 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.221 9.536 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.500 8.236 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.768 7.676 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.505 10.159 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.645 10.283 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.061 8.173 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.799 9.674 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.403 7.852 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.486 8.994 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.772 7.539 -1.367 1.00 0.00 H new ATOM 144 N LEU A 31 21.612 12.179 -2.626 1.00 0.00 N ATOM 145 CA LEU A 31 21.817 13.594 -2.960 1.00 0.00 C ATOM 146 C LEU A 31 21.184 14.067 -4.292 1.00 0.00 C ATOM 147 O LEU A 31 20.449 15.049 -4.235 1.00 0.00 O ATOM 148 CB LEU A 31 23.333 13.872 -2.861 1.00 0.00 C ATOM 149 CG LEU A 31 23.745 15.330 -3.124 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.128 16.304 -2.118 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.266 15.459 -3.050 1.00 0.00 C ATOM 0 H LEU A 31 22.478 11.719 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 31 21.268 14.200 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.675 13.587 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.852 13.230 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 31 23.378 15.587 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.451 17.319 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.041 16.247 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.452 16.041 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.553 16.494 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.609 15.161 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.723 14.814 -3.801 1.00 0.00 H new ATOM 163 N PRO A 32 21.376 13.414 -5.463 1.00 0.00 N ATOM 164 CA PRO A 32 20.750 13.837 -6.728 1.00 0.00 C ATOM 165 C PRO A 32 19.242 13.931 -6.690 1.00 0.00 C ATOM 166 O PRO A 32 18.643 14.905 -7.146 1.00 0.00 O ATOM 167 CB PRO A 32 21.206 12.835 -7.799 1.00 0.00 C ATOM 168 CG PRO A 32 21.789 11.661 -7.010 1.00 0.00 C ATOM 169 CD PRO A 32 22.288 12.310 -5.726 1.00 0.00 C ATOM 0 HA PRO A 32 21.071 14.856 -6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.372 12.517 -8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.951 13.275 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.036 10.899 -6.809 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.598 11.174 -7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.288 11.597 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.312 12.666 -5.840 1.00 0.00 H new ATOM 177 N LEU A 33 18.634 12.922 -6.095 1.00 0.00 N ATOM 178 CA LEU A 33 17.200 12.843 -5.978 1.00 0.00 C ATOM 179 C LEU A 33 16.677 13.862 -4.958 1.00 0.00 C ATOM 180 O LEU A 33 15.731 14.589 -5.252 1.00 0.00 O ATOM 181 CB LEU A 33 16.932 11.384 -5.658 1.00 0.00 C ATOM 182 CG LEU A 33 15.482 11.083 -5.382 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.481 11.513 -6.459 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.287 9.585 -5.175 1.00 0.00 C ATOM 0 H LEU A 33 19.128 12.133 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 33 16.657 13.118 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.269 10.770 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.526 11.096 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 33 15.267 11.677 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.472 11.243 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.540 12.592 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.717 11.010 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.235 9.379 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.598 9.050 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.888 9.253 -4.328 1.00 0.00 H new ATOM 196 N LEU A 34 17.347 14.011 -3.812 1.00 0.00 N ATOM 197 CA LEU A 34 17.022 15.063 -2.845 1.00 0.00 C ATOM 198 C LEU A 34 17.131 16.462 -3.477 1.00 0.00 C ATOM 199 O LEU A 34 16.266 17.294 -3.229 1.00 0.00 O ATOM 200 CB LEU A 34 17.950 14.917 -1.622 1.00 0.00 C ATOM 201 CG LEU A 34 17.567 15.798 -0.417 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.202 15.426 0.169 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.612 15.626 0.685 1.00 0.00 C ATOM 0 H LEU A 34 18.123 13.412 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 34 15.986 14.951 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.952 13.874 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.969 15.161 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 34 17.522 16.827 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.980 16.076 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.433 15.548 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.220 14.389 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.345 16.248 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.647 14.581 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.590 15.927 0.309 1.00 0.00 H new ATOM 215 N LYS A 35 18.119 16.714 -4.350 1.00 0.00 N ATOM 216 CA LYS A 35 18.296 17.992 -5.059 1.00 0.00 C ATOM 217 C LYS A 35 17.119 18.356 -5.968 1.00 0.00 C ATOM 218 O LYS A 35 16.655 19.487 -5.908 1.00 0.00 O ATOM 219 CB LYS A 35 19.625 17.968 -5.844 1.00 0.00 C ATOM 220 CG LYS A 35 20.275 19.358 -5.882 1.00 0.00 C ATOM 221 CD LYS A 35 20.957 19.680 -4.537 1.00 0.00 C ATOM 222 CE LYS A 35 22.407 19.176 -4.441 1.00 0.00 C ATOM 223 NZ LYS A 35 23.355 19.999 -5.248 1.00 0.00 N ATOM 0 H LYS A 35 18.830 16.023 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 35 18.330 18.778 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.310 17.256 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.443 17.621 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.009 19.399 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.519 20.112 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.946 20.759 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.374 19.238 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.722 19.184 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.451 18.141 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.317 19.617 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.073 19.972 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.336 20.982 -4.910 1.00 0.00 H new ATOM 237 N ILE A 36 16.587 17.406 -6.742 1.00 0.00 N ATOM 238 CA ILE A 36 15.365 17.565 -7.560 1.00 0.00 C ATOM 239 C ILE A 36 14.184 17.973 -6.651 1.00 0.00 C ATOM 240 O ILE A 36 13.513 18.970 -6.903 1.00 0.00 O ATOM 241 CB ILE A 36 15.073 16.252 -8.314 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.193 15.989 -9.344 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.715 16.311 -9.040 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.321 14.513 -9.718 1.00 0.00 C ATOM 0 H ILE A 36 17.000 16.477 -6.824 1.00 0.00 H new ATOM 0 HA ILE A 36 15.510 18.353 -8.299 1.00 0.00 H new ATOM 0 HB ILE A 36 15.035 15.443 -7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.996 16.571 -10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.142 16.340 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.540 15.370 -9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.920 16.476 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.723 17.129 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.124 14.390 -10.445 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.547 13.930 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.383 14.165 -10.151 1.00 0.00 H new ATOM 256 N LEU A 37 13.965 17.248 -5.544 1.00 0.00 N ATOM 257 CA LEU A 37 12.869 17.467 -4.594 1.00 0.00 C ATOM 258 C LEU A 37 12.998 18.825 -3.884 1.00 0.00 C ATOM 259 O LEU A 37 12.028 19.568 -3.749 1.00 0.00 O ATOM 260 CB LEU A 37 12.905 16.290 -3.593 1.00 0.00 C ATOM 261 CG LEU A 37 12.351 14.937 -4.082 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.379 14.618 -5.579 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.984 13.787 -3.300 1.00 0.00 C ATOM 0 H LEU A 37 14.567 16.468 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 37 11.910 17.498 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.939 16.140 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.346 16.584 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 37 11.285 15.049 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.953 13.629 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.795 15.362 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.409 14.635 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.582 12.839 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.064 13.800 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.758 13.900 -2.240 1.00 0.00 H new ATOM 275 N HIS A 38 14.210 19.192 -3.472 1.00 0.00 N ATOM 276 CA HIS A 38 14.517 20.461 -2.806 1.00 0.00 C ATOM 277 C HIS A 38 14.418 21.648 -3.758 1.00 0.00 C ATOM 278 O HIS A 38 13.792 22.644 -3.398 1.00 0.00 O ATOM 279 CB HIS A 38 15.891 20.348 -2.129 1.00 0.00 C ATOM 280 CG HIS A 38 15.825 19.695 -0.762 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.747 19.876 0.273 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.782 18.950 -0.289 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.234 19.239 1.342 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.049 18.680 1.035 1.00 0.00 N ATOM 0 H HIS A 38 15.031 18.599 -3.595 1.00 0.00 H new ATOM 0 HA HIS A 38 13.769 20.655 -2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.559 19.772 -2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.324 21.343 -2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.913 18.633 -0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.707 19.184 2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.453 18.150 1.671 1.00 0.00 H new ATOM 292 N ALA A 39 14.880 21.507 -5.004 1.00 0.00 N ATOM 293 CA ALA A 39 14.699 22.513 -6.050 1.00 0.00 C ATOM 294 C ALA A 39 13.215 22.748 -6.387 1.00 0.00 C ATOM 295 O ALA A 39 12.861 23.809 -6.907 1.00 0.00 O ATOM 296 CB ALA A 39 15.526 22.095 -7.268 1.00 0.00 C ATOM 0 H ALA A 39 15.394 20.683 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 39 15.057 23.478 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.405 22.833 -8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.578 22.031 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.185 21.122 -7.623 1.00 0.00 H new ATOM 302 N ALA A 40 12.340 21.796 -6.036 1.00 0.00 N ATOM 303 CA ALA A 40 10.896 21.976 -6.090 1.00 0.00 C ATOM 304 C ALA A 40 10.306 22.651 -4.837 1.00 0.00 C ATOM 305 O ALA A 40 9.239 23.258 -4.935 1.00 0.00 O ATOM 306 CB ALA A 40 10.242 20.610 -6.296 1.00 0.00 C ATOM 0 H ALA A 40 12.624 20.874 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 40 10.686 22.649 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.159 20.728 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.597 20.174 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.503 19.953 -5.467 1.00 0.00 H new ATOM 312 N GLY A 41 10.959 22.537 -3.670 1.00 0.00 N ATOM 313 CA GLY A 41 10.438 23.006 -2.380 1.00 0.00 C ATOM 314 C GLY A 41 9.760 21.892 -1.573 1.00 0.00 C ATOM 315 O GLY A 41 8.588 22.013 -1.208 1.00 0.00 O ATOM 0 H GLY A 41 11.881 22.108 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.255 23.427 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.723 23.810 -2.553 1.00 0.00 H new ATOM 319 N ALA A 42 10.483 20.793 -1.321 1.00 0.00 N ATOM 320 CA ALA A 42 10.023 19.689 -0.474 1.00 0.00 C ATOM 321 C ALA A 42 9.766 20.103 0.987 1.00 0.00 C ATOM 322 O ALA A 42 10.296 21.100 1.485 1.00 0.00 O ATOM 323 CB ALA A 42 11.015 18.524 -0.550 1.00 0.00 C ATOM 0 H ALA A 42 11.416 20.645 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 42 9.056 19.371 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.666 17.707 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.091 18.178 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.994 18.857 -0.206 1.00 0.00 H new ATOM 329 N GLN A 43 8.968 19.290 1.685 1.00 0.00 N ATOM 330 CA GLN A 43 8.479 19.550 3.046 1.00 0.00 C ATOM 331 C GLN A 43 9.289 18.798 4.128 1.00 0.00 C ATOM 332 O GLN A 43 8.773 18.464 5.198 1.00 0.00 O ATOM 333 CB GLN A 43 6.959 19.292 3.080 1.00 0.00 C ATOM 334 CG GLN A 43 6.177 20.282 2.195 1.00 0.00 C ATOM 335 CD GLN A 43 4.658 20.087 2.239 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.112 19.186 2.867 1.00 0.00 O ATOM 337 NE2 GLN A 43 3.904 20.930 1.563 1.00 0.00 N ATOM 0 H GLN A 43 8.633 18.404 1.308 1.00 0.00 H new ATOM 0 HA GLN A 43 8.642 20.596 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.758 18.274 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.603 19.367 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.412 21.299 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.517 20.180 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.335 21.688 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.889 20.825 1.570 1.00 0.00 H new ATOM 346 N GLY A 44 10.567 18.523 3.842 1.00 0.00 N ATOM 347 CA GLY A 44 11.503 17.814 4.723 1.00 0.00 C ATOM 348 C GLY A 44 12.682 17.173 3.980 1.00 0.00 C ATOM 349 O GLY A 44 13.038 17.577 2.871 1.00 0.00 O ATOM 0 H GLY A 44 10.994 18.798 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.889 18.512 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.962 17.039 5.265 1.00 0.00 H new ATOM 353 N GLU A 45 13.276 16.151 4.601 1.00 0.00 N ATOM 354 CA GLU A 45 14.330 15.294 4.019 1.00 0.00 C ATOM 355 C GLU A 45 13.995 13.787 4.074 1.00 0.00 C ATOM 356 O GLU A 45 14.643 12.995 3.397 1.00 0.00 O ATOM 357 CB GLU A 45 15.665 15.563 4.737 1.00 0.00 C ATOM 358 CG GLU A 45 16.206 16.976 4.489 1.00 0.00 C ATOM 359 CD GLU A 45 17.529 17.198 5.246 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.495 17.598 6.437 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.618 16.986 4.659 1.00 0.00 O ATOM 0 H GLU A 45 13.034 15.883 5.555 1.00 0.00 H new ATOM 0 HA GLU A 45 14.404 15.554 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.531 15.414 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.403 14.834 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.363 17.127 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.470 17.713 4.810 1.00 0.00 H new ATOM 368 N MET A 46 12.987 13.387 4.858 1.00 0.00 N ATOM 369 CA MET A 46 12.515 12.008 5.072 1.00 0.00 C ATOM 370 C MET A 46 11.078 11.888 4.551 1.00 0.00 C ATOM 371 O MET A 46 10.204 12.611 5.029 1.00 0.00 O ATOM 372 CB MET A 46 12.530 11.711 6.578 1.00 0.00 C ATOM 373 CG MET A 46 13.954 11.463 7.087 1.00 0.00 C ATOM 374 SD MET A 46 14.103 11.192 8.877 1.00 0.00 S ATOM 375 CE MET A 46 13.774 12.865 9.503 1.00 0.00 C ATOM 0 H MET A 46 12.442 14.060 5.397 1.00 0.00 H new ATOM 0 HA MET A 46 13.159 11.303 4.546 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.090 12.548 7.119 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.912 10.837 6.784 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.361 10.594 6.570 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.574 12.317 6.813 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.934 12.888 10.581 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.448 13.573 9.021 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.742 13.139 9.283 1.00 0.00 H new ATOM 385 N PHE A 47 10.821 10.996 3.590 1.00 0.00 N ATOM 386 CA PHE A 47 9.492 10.811 2.983 1.00 0.00 C ATOM 387 C PHE A 47 9.338 9.436 2.303 1.00 0.00 C ATOM 388 O PHE A 47 10.312 8.778 1.937 1.00 0.00 O ATOM 389 CB PHE A 47 9.175 11.925 1.958 1.00 0.00 C ATOM 390 CG PHE A 47 10.250 12.962 1.693 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.517 12.561 1.232 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.984 14.324 1.916 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.505 13.523 0.985 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.958 15.292 1.615 1.00 0.00 C ATOM 395 CZ PHE A 47 12.221 14.891 1.146 1.00 0.00 C ATOM 0 H PHE A 47 11.533 10.375 3.206 1.00 0.00 H new ATOM 0 HA PHE A 47 8.780 10.866 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.927 11.448 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.280 12.448 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.728 11.514 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.029 14.628 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.490 13.212 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.736 16.341 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.971 15.631 0.910 1.00 0.00 H new ATOM 405 N THR A 48 8.091 9.023 2.090 1.00 0.00 N ATOM 406 CA THR A 48 7.700 7.851 1.277 1.00 0.00 C ATOM 407 C THR A 48 7.794 8.116 -0.231 1.00 0.00 C ATOM 408 O THR A 48 7.882 9.261 -0.658 1.00 0.00 O ATOM 409 CB THR A 48 6.257 7.442 1.607 1.00 0.00 C ATOM 410 OG1 THR A 48 5.410 8.547 1.439 1.00 0.00 O ATOM 411 CG2 THR A 48 6.112 6.964 3.039 1.00 0.00 C ATOM 0 H THR A 48 7.287 9.507 2.490 1.00 0.00 H new ATOM 0 HA THR A 48 8.400 7.054 1.526 1.00 0.00 H new ATOM 0 HB THR A 48 5.992 6.626 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.442 9.109 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.075 6.686 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.755 6.099 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.402 7.764 3.721 1.00 0.00 H new ATOM 419 N VAL A 49 7.680 7.067 -1.059 1.00 0.00 N ATOM 420 CA VAL A 49 7.587 7.105 -2.537 1.00 0.00 C ATOM 421 C VAL A 49 6.480 8.067 -2.983 1.00 0.00 C ATOM 422 O VAL A 49 6.694 8.937 -3.830 1.00 0.00 O ATOM 423 CB VAL A 49 7.342 5.679 -3.088 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.958 5.649 -4.573 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.607 4.825 -2.911 1.00 0.00 C ATOM 0 H VAL A 49 7.648 6.112 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 49 8.530 7.473 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 49 6.502 5.282 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.802 4.617 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.040 6.217 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.759 6.092 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.427 3.823 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.434 5.283 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.859 4.763 -1.852 1.00 0.00 H new ATOM 435 N LYS A 50 5.308 7.945 -2.348 1.00 0.00 N ATOM 436 CA LYS A 50 4.105 8.702 -2.670 1.00 0.00 C ATOM 437 C LYS A 50 4.217 10.186 -2.292 1.00 0.00 C ATOM 438 O LYS A 50 3.671 11.042 -2.987 1.00 0.00 O ATOM 439 CB LYS A 50 2.935 7.942 -2.029 1.00 0.00 C ATOM 440 CG LYS A 50 2.844 8.067 -0.504 1.00 0.00 C ATOM 441 CD LYS A 50 1.707 7.232 0.091 1.00 0.00 C ATOM 442 CE LYS A 50 1.654 7.454 1.609 1.00 0.00 C ATOM 443 NZ LYS A 50 0.571 6.655 2.244 1.00 0.00 N ATOM 0 H LYS A 50 5.173 7.295 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 50 3.939 8.760 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.004 8.303 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.020 6.887 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.789 7.754 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.698 9.114 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.757 7.515 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.863 6.176 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.613 7.183 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.495 8.512 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.566 6.830 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.347 6.932 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.736 5.644 2.067 1.00 0.00 H new ATOM 457 N GLU A 51 4.989 10.500 -1.248 1.00 0.00 N ATOM 458 CA GLU A 51 5.372 11.871 -0.894 1.00 0.00 C ATOM 459 C GLU A 51 6.468 12.413 -1.824 1.00 0.00 C ATOM 460 O GLU A 51 6.303 13.503 -2.368 1.00 0.00 O ATOM 461 CB GLU A 51 5.836 11.926 0.566 1.00 0.00 C ATOM 462 CG GLU A 51 4.682 11.718 1.553 1.00 0.00 C ATOM 463 CD GLU A 51 5.218 11.520 2.982 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.908 10.497 3.219 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.937 12.367 3.865 1.00 0.00 O ATOM 0 H GLU A 51 5.372 9.798 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 51 4.494 12.506 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.595 11.162 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.307 12.890 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.014 12.579 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.095 10.849 1.256 1.00 0.00 H new ATOM 472 N VAL A 52 7.556 11.665 -2.077 1.00 0.00 N ATOM 473 CA VAL A 52 8.665 12.156 -2.908 1.00 0.00 C ATOM 474 C VAL A 52 8.225 12.515 -4.322 1.00 0.00 C ATOM 475 O VAL A 52 8.572 13.575 -4.845 1.00 0.00 O ATOM 476 CB VAL A 52 9.876 11.216 -2.986 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.659 11.178 -1.677 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.689 9.796 -3.481 1.00 0.00 C ATOM 0 H VAL A 52 7.689 10.720 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 52 8.987 13.056 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 52 10.428 11.700 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.506 10.500 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.021 12.178 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.010 10.828 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.648 9.278 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.986 9.274 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.298 9.814 -4.498 1.00 0.00 H new ATOM 488 N MET A 53 7.418 11.648 -4.927 1.00 0.00 N ATOM 489 CA MET A 53 6.866 11.886 -6.261 1.00 0.00 C ATOM 490 C MET A 53 5.905 13.087 -6.343 1.00 0.00 C ATOM 491 O MET A 53 5.792 13.682 -7.411 1.00 0.00 O ATOM 492 CB MET A 53 6.307 10.600 -6.879 1.00 0.00 C ATOM 493 CG MET A 53 4.923 10.203 -6.353 1.00 0.00 C ATOM 494 SD MET A 53 4.314 8.614 -6.981 1.00 0.00 S ATOM 495 CE MET A 53 4.300 8.957 -8.764 1.00 0.00 C ATOM 0 H MET A 53 7.128 10.763 -4.510 1.00 0.00 H new ATOM 0 HA MET A 53 7.705 12.191 -6.886 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.251 10.724 -7.960 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.004 9.785 -6.687 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.959 10.160 -5.264 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.209 10.983 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.786 8.150 -9.286 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.781 9.898 -8.949 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.325 9.030 -9.129 1.00 0.00 H new ATOM 505 N HIS A 54 5.266 13.516 -5.246 1.00 0.00 N ATOM 506 CA HIS A 54 4.499 14.774 -5.243 1.00 0.00 C ATOM 507 C HIS A 54 5.404 15.981 -5.534 1.00 0.00 C ATOM 508 O HIS A 54 5.040 16.854 -6.326 1.00 0.00 O ATOM 509 CB HIS A 54 3.762 14.952 -3.909 1.00 0.00 C ATOM 510 CG HIS A 54 2.850 16.155 -3.902 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.545 16.190 -4.403 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.179 17.396 -3.437 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.118 17.454 -4.228 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.078 18.197 -3.650 1.00 0.00 N ATOM 0 H HIS A 54 5.263 13.018 -4.356 1.00 0.00 H new ATOM 0 HA HIS A 54 3.758 14.718 -6.041 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.177 14.057 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.492 15.050 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.117 17.691 -2.990 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.142 17.820 -4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.004 19.186 -3.410 1.00 0.00 H new ATOM 522 N TYR A 55 6.627 15.989 -4.985 1.00 0.00 N ATOM 523 CA TYR A 55 7.617 17.019 -5.311 1.00 0.00 C ATOM 524 C TYR A 55 8.135 16.895 -6.751 1.00 0.00 C ATOM 525 O TYR A 55 8.485 17.916 -7.326 1.00 0.00 O ATOM 526 CB TYR A 55 8.783 17.052 -4.312 1.00 0.00 C ATOM 527 CG TYR A 55 8.386 16.894 -2.856 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.545 17.825 -2.215 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.841 15.769 -2.155 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.096 17.580 -0.895 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.408 15.523 -0.845 1.00 0.00 C ATOM 532 CZ TYR A 55 7.507 16.408 -0.221 1.00 0.00 C ATOM 533 OH TYR A 55 7.057 16.131 1.033 1.00 0.00 O ATOM 0 H TYR A 55 6.952 15.293 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 55 7.091 17.970 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.485 16.259 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.314 17.997 -4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.243 18.725 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.531 15.086 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.442 18.286 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.766 14.654 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 55 7.253 15.196 1.252 1.00 0.00 H new ATOM 543 N LEU A 56 8.136 15.709 -7.383 1.00 0.00 N ATOM 544 CA LEU A 56 8.419 15.600 -8.827 1.00 0.00 C ATOM 545 C LEU A 56 7.332 16.299 -9.649 1.00 0.00 C ATOM 546 O LEU A 56 7.647 17.076 -10.546 1.00 0.00 O ATOM 547 CB LEU A 56 8.510 14.141 -9.306 1.00 0.00 C ATOM 548 CG LEU A 56 9.588 13.266 -8.665 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.394 11.828 -9.139 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.995 13.728 -9.030 1.00 0.00 C ATOM 0 H LEU A 56 7.946 14.819 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 56 9.386 16.080 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.543 13.667 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.676 14.148 -10.383 1.00 0.00 H new ATOM 0 HG LEU A 56 9.487 13.341 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.156 11.191 -8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.406 11.477 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.481 11.788 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.727 13.077 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.123 13.685 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.142 14.752 -8.687 1.00 0.00 H new ATOM 562 N GLY A 57 6.059 16.075 -9.319 1.00 0.00 N ATOM 563 CA GLY A 57 4.941 16.717 -10.008 1.00 0.00 C ATOM 564 C GLY A 57 4.993 18.243 -9.913 1.00 0.00 C ATOM 565 O GLY A 57 4.964 18.933 -10.938 1.00 0.00 O ATOM 0 H GLY A 57 5.776 15.445 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.947 16.421 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.003 16.361 -9.582 1.00 0.00 H new ATOM 569 N GLN A 58 5.219 18.779 -8.705 1.00 0.00 N ATOM 570 CA GLN A 58 5.396 20.223 -8.522 1.00 0.00 C ATOM 571 C GLN A 58 6.694 20.734 -9.170 1.00 0.00 C ATOM 572 O GLN A 58 6.693 21.838 -9.710 1.00 0.00 O ATOM 573 CB GLN A 58 5.255 20.622 -7.039 1.00 0.00 C ATOM 574 CG GLN A 58 6.580 20.718 -6.262 1.00 0.00 C ATOM 575 CD GLN A 58 6.370 20.824 -4.746 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.557 20.136 -4.147 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.114 21.658 -4.054 1.00 0.00 N ATOM 0 H GLN A 58 5.283 18.235 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 58 4.588 20.727 -9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.749 21.586 -6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.612 19.895 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.189 19.841 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.138 21.588 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.800 22.244 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.005 21.719 -3.042 1.00 0.00 H new ATOM 586 N TYR A 59 7.777 19.940 -9.176 1.00 0.00 N ATOM 587 CA TYR A 59 9.036 20.290 -9.833 1.00 0.00 C ATOM 588 C TYR A 59 8.815 20.471 -11.332 1.00 0.00 C ATOM 589 O TYR A 59 9.152 21.506 -11.883 1.00 0.00 O ATOM 590 CB TYR A 59 10.096 19.202 -9.622 1.00 0.00 C ATOM 591 CG TYR A 59 11.429 19.482 -10.276 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.668 19.034 -11.589 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.443 20.141 -9.558 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.955 19.141 -12.148 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.728 20.246 -10.113 1.00 0.00 C ATOM 596 CZ TYR A 59 13.996 19.713 -11.386 1.00 0.00 C ATOM 597 OH TYR A 59 15.256 19.819 -11.870 1.00 0.00 O ATOM 0 H TYR A 59 7.798 19.029 -8.719 1.00 0.00 H new ATOM 0 HA TYR A 59 9.389 21.221 -9.389 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.253 19.070 -8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.709 18.258 -10.006 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.862 18.608 -12.168 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.234 20.563 -8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.144 18.789 -13.151 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.514 20.738 -9.560 1.00 0.00 H new ATOM 0 HH TYR A 59 15.437 19.071 -12.477 1.00 0.00 H new ATOM 607 N ILE A 60 8.192 19.499 -12.000 1.00 0.00 N ATOM 608 CA ILE A 60 7.901 19.564 -13.437 1.00 0.00 C ATOM 609 C ILE A 60 6.979 20.750 -13.734 1.00 0.00 C ATOM 610 O ILE A 60 7.215 21.487 -14.690 1.00 0.00 O ATOM 611 CB ILE A 60 7.279 18.229 -13.888 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.271 17.056 -13.737 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.794 18.303 -15.342 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.513 15.743 -13.538 1.00 0.00 C ATOM 0 H ILE A 60 7.872 18.637 -11.558 1.00 0.00 H new ATOM 0 HA ILE A 60 8.822 19.720 -13.999 1.00 0.00 H new ATOM 0 HB ILE A 60 6.424 18.048 -13.236 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.903 16.989 -14.623 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.931 17.235 -12.888 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.360 17.345 -15.630 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.041 19.085 -15.435 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.636 18.531 -15.995 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.225 14.924 -13.433 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.901 15.809 -12.639 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.872 15.558 -14.400 1.00 0.00 H new ATOM 626 N MET A 61 5.974 20.980 -12.887 1.00 0.00 N ATOM 627 CA MET A 61 5.044 22.101 -13.022 1.00 0.00 C ATOM 628 C MET A 61 5.738 23.477 -12.895 1.00 0.00 C ATOM 629 O MET A 61 5.453 24.371 -13.691 1.00 0.00 O ATOM 630 CB MET A 61 3.914 21.892 -12.004 1.00 0.00 C ATOM 631 CG MET A 61 2.748 22.868 -12.195 1.00 0.00 C ATOM 632 SD MET A 61 1.854 22.679 -13.765 1.00 0.00 S ATOM 633 CE MET A 61 1.911 24.384 -14.375 1.00 0.00 C ATOM 0 H MET A 61 5.782 20.387 -12.080 1.00 0.00 H new ATOM 0 HA MET A 61 4.625 22.116 -14.028 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.543 20.870 -12.086 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.314 22.006 -10.997 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.044 22.738 -11.373 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.130 23.887 -12.130 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.403 24.443 -15.337 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.415 25.042 -13.662 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.949 24.694 -14.493 1.00 0.00 H new ATOM 643 N VAL A 62 6.693 23.650 -11.967 1.00 0.00 N ATOM 644 CA VAL A 62 7.466 24.906 -11.810 1.00 0.00 C ATOM 645 C VAL A 62 8.578 25.060 -12.854 1.00 0.00 C ATOM 646 O VAL A 62 8.785 26.153 -13.382 1.00 0.00 O ATOM 647 CB VAL A 62 7.984 25.068 -10.363 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.129 24.139 -9.953 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.486 26.483 -10.100 1.00 0.00 C ATOM 0 H VAL A 62 6.956 22.925 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 62 6.775 25.727 -12.001 1.00 0.00 H new ATOM 0 HB VAL A 62 7.103 24.811 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.410 24.342 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.807 23.102 -10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.987 24.311 -10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.842 26.558 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.303 26.712 -10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.673 27.192 -10.255 1.00 0.00 H new ATOM 659 N LYS A 63 9.254 23.960 -13.201 1.00 0.00 N ATOM 660 CA LYS A 63 10.271 23.874 -14.265 1.00 0.00 C ATOM 661 C LYS A 63 9.706 23.838 -15.695 1.00 0.00 C ATOM 662 O LYS A 63 10.491 23.978 -16.630 1.00 0.00 O ATOM 663 CB LYS A 63 11.146 22.631 -14.041 1.00 0.00 C ATOM 664 CG LYS A 63 11.995 22.646 -12.764 1.00 0.00 C ATOM 665 CD LYS A 63 12.981 23.816 -12.669 1.00 0.00 C ATOM 666 CE LYS A 63 13.998 23.549 -11.549 1.00 0.00 C ATOM 667 NZ LYS A 63 15.183 22.783 -12.043 1.00 0.00 N ATOM 0 H LYS A 63 9.105 23.067 -12.732 1.00 0.00 H new ATOM 0 HA LYS A 63 10.851 24.794 -14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.501 21.753 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.810 22.516 -14.897 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.330 22.677 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.553 21.712 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.499 23.946 -13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.442 24.743 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.329 24.497 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.515 22.993 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.028 23.067 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.017 21.765 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.330 22.984 -13.053 1.00 0.00 H new ATOM 681 N GLN A 64 8.390 23.644 -15.864 1.00 0.00 N ATOM 682 CA GLN A 64 7.625 23.368 -17.084 1.00 0.00 C ATOM 683 C GLN A 64 8.353 22.390 -18.010 1.00 0.00 C ATOM 684 O GLN A 64 8.680 22.696 -19.158 1.00 0.00 O ATOM 685 CB GLN A 64 7.025 24.625 -17.731 1.00 0.00 C ATOM 686 CG GLN A 64 8.084 25.679 -18.037 1.00 0.00 C ATOM 687 CD GLN A 64 8.127 26.802 -17.000 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.176 27.549 -16.803 1.00 0.00 O ATOM 689 NE2 GLN A 64 9.223 26.968 -16.291 1.00 0.00 N ATOM 0 H GLN A 64 7.768 23.681 -15.056 1.00 0.00 H new ATOM 0 HA GLN A 64 6.726 22.823 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.514 24.348 -18.653 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.274 25.050 -17.066 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.062 25.200 -18.086 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.889 26.107 -19.020 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.025 26.356 -16.441 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.271 27.709 -15.591 1.00 0.00 H new ATOM 698 N LEU A 65 8.596 21.184 -17.478 1.00 0.00 N ATOM 699 CA LEU A 65 9.243 20.094 -18.195 1.00 0.00 C ATOM 700 C LEU A 65 8.176 19.230 -18.874 1.00 0.00 C ATOM 701 O LEU A 65 8.258 18.013 -18.821 1.00 0.00 O ATOM 702 CB LEU A 65 10.206 19.278 -17.291 1.00 0.00 C ATOM 703 CG LEU A 65 11.371 20.038 -16.640 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.262 19.074 -15.863 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.237 20.800 -17.643 1.00 0.00 C ATOM 0 H LEU A 65 8.341 20.942 -16.520 1.00 0.00 H new ATOM 0 HA LEU A 65 9.883 20.513 -18.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.617 18.819 -16.497 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.623 18.467 -17.888 1.00 0.00 H new ATOM 0 HG LEU A 65 10.914 20.771 -15.975 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.084 19.626 -15.407 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.677 18.585 -15.084 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.663 18.322 -16.542 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.040 21.313 -17.114 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.665 20.100 -18.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.625 21.531 -18.171 1.00 0.00 H new ATOM 717 N TYR A 66 7.128 19.832 -19.441 1.00 0.00 N ATOM 718 CA TYR A 66 6.064 19.114 -20.154 1.00 0.00 C ATOM 719 C TYR A 66 5.780 19.681 -21.557 1.00 0.00 C ATOM 720 O TYR A 66 6.120 20.827 -21.862 1.00 0.00 O ATOM 721 CB TYR A 66 4.783 19.015 -19.313 1.00 0.00 C ATOM 722 CG TYR A 66 4.262 20.346 -18.820 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.365 21.107 -19.592 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.735 20.841 -17.596 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.011 22.405 -19.180 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.321 22.108 -17.140 1.00 0.00 C ATOM 727 CZ TYR A 66 3.481 22.907 -17.947 1.00 0.00 C ATOM 728 OH TYR A 66 3.145 24.161 -17.536 1.00 0.00 O ATOM 0 H TYR A 66 6.991 20.843 -19.419 1.00 0.00 H new ATOM 0 HA TYR A 66 6.439 18.103 -20.310 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.008 18.531 -19.907 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.974 18.371 -18.454 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.949 20.695 -20.500 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.417 20.250 -17.003 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.380 23.017 -19.807 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.645 22.468 -16.175 1.00 0.00 H new ATOM 0 HH TYR A 66 3.555 24.341 -16.664 1.00 0.00 H new ATOM 738 N ASP A 67 5.155 18.878 -22.422 1.00 0.00 N ATOM 739 CA ASP A 67 4.804 19.277 -23.792 1.00 0.00 C ATOM 740 C ASP A 67 3.595 20.221 -23.823 1.00 0.00 C ATOM 741 O ASP A 67 2.533 19.891 -23.296 1.00 0.00 O ATOM 742 CB ASP A 67 4.478 18.035 -24.638 1.00 0.00 C ATOM 743 CG ASP A 67 4.533 18.288 -26.159 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.130 19.388 -26.615 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.985 17.391 -26.905 1.00 0.00 O ATOM 0 H ASP A 67 4.875 17.925 -22.192 1.00 0.00 H new ATOM 0 HA ASP A 67 5.666 19.803 -24.202 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.180 17.240 -24.385 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.483 17.678 -24.374 1.00 0.00 H new ATOM 750 N GLN A 68 3.705 21.346 -24.532 1.00 0.00 N ATOM 751 CA GLN A 68 2.587 22.240 -24.856 1.00 0.00 C ATOM 752 C GLN A 68 1.325 21.513 -25.368 1.00 0.00 C ATOM 753 O GLN A 68 0.197 21.819 -24.979 1.00 0.00 O ATOM 754 CB GLN A 68 3.001 23.287 -25.887 1.00 0.00 C ATOM 755 CG GLN A 68 3.862 22.812 -27.038 1.00 0.00 C ATOM 756 CD GLN A 68 5.359 22.728 -26.763 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.069 23.717 -26.641 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.875 21.525 -26.640 1.00 0.00 N ATOM 0 H GLN A 68 4.596 21.671 -24.907 1.00 0.00 H new ATOM 0 HA GLN A 68 2.328 22.715 -23.910 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.096 23.731 -26.301 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.537 24.081 -25.367 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.513 21.826 -27.344 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.705 23.482 -27.884 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.281 20.702 -26.742 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.870 21.414 -26.442 1.00 0.00 H new ATOM 767 N GLN A 69 1.550 20.552 -26.258 1.00 0.00 N ATOM 768 CA GLN A 69 0.538 19.776 -26.973 1.00 0.00 C ATOM 769 C GLN A 69 -0.029 18.610 -26.138 1.00 0.00 C ATOM 770 O GLN A 69 -1.125 18.121 -26.415 1.00 0.00 O ATOM 771 CB GLN A 69 1.151 19.256 -28.282 1.00 0.00 C ATOM 772 CG GLN A 69 1.524 20.394 -29.256 1.00 0.00 C ATOM 773 CD GLN A 69 2.801 20.112 -30.044 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.813 20.040 -31.267 1.00 0.00 O ATOM 775 NE2 GLN A 69 3.931 19.972 -29.380 1.00 0.00 N ATOM 0 H GLN A 69 2.498 20.277 -26.516 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.306 20.434 -27.181 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.042 18.671 -28.054 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.444 18.584 -28.768 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.701 20.552 -29.953 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.648 21.320 -28.694 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.935 20.030 -28.362 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.802 19.806 -29.885 1.00 0.00 H new ATOM 784 N GLU A 70 0.710 18.173 -25.113 1.00 0.00 N ATOM 785 CA GLU A 70 0.372 17.053 -24.218 1.00 0.00 C ATOM 786 C GLU A 70 0.921 17.317 -22.807 1.00 0.00 C ATOM 787 O GLU A 70 2.017 16.897 -22.447 1.00 0.00 O ATOM 788 CB GLU A 70 0.912 15.714 -24.765 1.00 0.00 C ATOM 789 CG GLU A 70 0.068 15.138 -25.908 1.00 0.00 C ATOM 790 CD GLU A 70 0.370 13.640 -26.111 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.176 12.806 -25.345 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.140 13.287 -27.038 1.00 0.00 O ATOM 0 H GLU A 70 1.601 18.607 -24.871 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.714 16.978 -24.167 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.934 15.859 -25.115 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.953 14.988 -23.953 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.991 15.273 -25.688 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.275 15.683 -26.829 1.00 0.00 H new ATOM 799 N GLN A 71 0.156 18.034 -21.986 1.00 0.00 N ATOM 800 CA GLN A 71 0.617 18.547 -20.686 1.00 0.00 C ATOM 801 C GLN A 71 0.995 17.452 -19.666 1.00 0.00 C ATOM 802 O GLN A 71 1.809 17.674 -18.771 1.00 0.00 O ATOM 803 CB GLN A 71 -0.513 19.393 -20.110 1.00 0.00 C ATOM 804 CG GLN A 71 -0.950 20.607 -20.946 1.00 0.00 C ATOM 805 CD GLN A 71 0.036 21.763 -21.037 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.117 22.789 -20.386 1.00 0.00 O ATOM 807 NE2 GLN A 71 1.054 21.689 -21.865 1.00 0.00 N ATOM 0 H GLN A 71 -0.810 18.280 -22.201 1.00 0.00 H new ATOM 0 HA GLN A 71 1.531 19.115 -20.861 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.380 18.750 -19.962 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.207 19.748 -19.126 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.167 20.264 -21.958 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.884 20.988 -20.532 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.202 20.844 -22.418 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.696 22.476 -21.955 1.00 0.00 H new ATOM 816 N HIS A 72 0.408 16.261 -19.799 1.00 0.00 N ATOM 817 CA HIS A 72 0.711 15.042 -19.050 1.00 0.00 C ATOM 818 C HIS A 72 1.965 14.292 -19.564 1.00 0.00 C ATOM 819 O HIS A 72 2.454 13.387 -18.890 1.00 0.00 O ATOM 820 CB HIS A 72 -0.556 14.169 -19.130 1.00 0.00 C ATOM 821 CG HIS A 72 -1.017 13.977 -20.550 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.825 14.874 -21.250 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.505 13.064 -21.420 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.781 14.486 -22.531 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.005 13.394 -22.665 1.00 0.00 N ATOM 0 H HIS A 72 -0.340 16.114 -20.477 1.00 0.00 H new ATOM 0 HA HIS A 72 0.964 15.292 -18.020 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.356 13.197 -18.679 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.353 14.632 -18.549 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.159 12.246 -21.184 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.296 14.980 -23.342 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.818 12.896 -23.535 1.00 0.00 H new ATOM 833 N MET A 73 2.503 14.647 -20.737 1.00 0.00 N ATOM 834 CA MET A 73 3.756 14.118 -21.291 1.00 0.00 C ATOM 835 C MET A 73 4.935 14.996 -20.845 1.00 0.00 C ATOM 836 O MET A 73 4.925 16.214 -21.033 1.00 0.00 O ATOM 837 CB MET A 73 3.650 14.033 -22.824 1.00 0.00 C ATOM 838 CG MET A 73 4.903 13.457 -23.487 1.00 0.00 C ATOM 839 SD MET A 73 5.294 11.750 -23.033 1.00 0.00 S ATOM 840 CE MET A 73 6.856 11.578 -23.931 1.00 0.00 C ATOM 0 H MET A 73 2.063 15.335 -21.348 1.00 0.00 H new ATOM 0 HA MET A 73 3.934 13.111 -20.914 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.791 13.416 -23.088 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.461 15.029 -23.224 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.780 13.510 -24.569 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.754 14.089 -23.231 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.428 10.751 -23.511 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.651 11.380 -24.983 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.431 12.500 -23.841 1.00 0.00 H new ATOM 850 N VAL A 74 5.961 14.378 -20.259 1.00 0.00 N ATOM 851 CA VAL A 74 7.074 15.052 -19.572 1.00 0.00 C ATOM 852 C VAL A 74 8.359 14.949 -20.417 1.00 0.00 C ATOM 853 O VAL A 74 8.697 13.880 -20.925 1.00 0.00 O ATOM 854 CB VAL A 74 7.283 14.432 -18.171 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.278 15.253 -17.348 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.979 14.358 -17.357 1.00 0.00 C ATOM 0 H VAL A 74 6.047 13.362 -20.247 1.00 0.00 H new ATOM 0 HA VAL A 74 6.832 16.107 -19.448 1.00 0.00 H new ATOM 0 HB VAL A 74 7.659 13.425 -18.353 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.406 14.794 -16.368 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.238 15.283 -17.862 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.900 16.268 -17.227 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.183 13.915 -16.382 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.577 15.362 -17.222 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.252 13.745 -17.889 1.00 0.00 H new ATOM 866 N TYR A 75 9.098 16.055 -20.528 1.00 0.00 N ATOM 867 CA TYR A 75 10.349 16.231 -21.273 1.00 0.00 C ATOM 868 C TYR A 75 11.438 16.868 -20.382 1.00 0.00 C ATOM 869 O TYR A 75 11.528 18.089 -20.251 1.00 0.00 O ATOM 870 CB TYR A 75 10.068 17.066 -22.532 1.00 0.00 C ATOM 871 CG TYR A 75 9.479 16.225 -23.642 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.309 15.290 -24.287 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.119 16.324 -23.992 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.781 14.440 -25.272 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.593 15.489 -24.999 1.00 0.00 C ATOM 876 CZ TYR A 75 8.422 14.542 -25.641 1.00 0.00 C ATOM 877 OH TYR A 75 7.924 13.724 -26.611 1.00 0.00 O ATOM 0 H TYR A 75 8.816 16.918 -20.064 1.00 0.00 H new ATOM 0 HA TYR A 75 10.734 15.259 -21.582 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.381 17.876 -22.286 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.994 17.527 -22.877 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.355 15.226 -24.024 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.481 17.037 -23.491 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.415 13.707 -25.748 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.554 15.574 -25.280 1.00 0.00 H new ATOM 0 HH TYR A 75 6.973 13.919 -26.747 1.00 0.00 H new ATOM 887 N CYS A 76 12.276 16.022 -19.775 1.00 0.00 N ATOM 888 CA CYS A 76 13.383 16.359 -18.869 1.00 0.00 C ATOM 889 C CYS A 76 14.774 16.412 -19.529 1.00 0.00 C ATOM 890 O CYS A 76 15.781 16.375 -18.821 1.00 0.00 O ATOM 891 CB CYS A 76 13.381 15.382 -17.681 1.00 0.00 C ATOM 892 SG CYS A 76 11.842 15.509 -16.733 1.00 0.00 S ATOM 0 H CYS A 76 12.195 15.014 -19.912 1.00 0.00 H new ATOM 0 HA CYS A 76 13.200 17.380 -18.534 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.504 14.362 -18.045 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.230 15.593 -17.031 1.00 0.00 H new ATOM 0 HG CYS A 76 11.074 16.409 -17.271 1.00 0.00 H new ATOM 898 N GLY A 77 14.869 16.464 -20.861 1.00 0.00 N ATOM 899 CA GLY A 77 16.158 16.478 -21.569 1.00 0.00 C ATOM 900 C GLY A 77 17.079 17.621 -21.107 1.00 0.00 C ATOM 901 O GLY A 77 16.713 18.796 -21.190 1.00 0.00 O ATOM 0 H GLY A 77 14.059 16.498 -21.480 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.663 15.525 -21.413 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.978 16.572 -22.640 1.00 0.00 H new ATOM 905 N GLY A 78 18.266 17.269 -20.599 1.00 0.00 N ATOM 906 CA GLY A 78 19.258 18.205 -20.047 1.00 0.00 C ATOM 907 C GLY A 78 19.025 18.654 -18.591 1.00 0.00 C ATOM 908 O GLY A 78 19.813 19.449 -18.074 1.00 0.00 O ATOM 0 H GLY A 78 18.574 16.297 -20.559 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.242 17.740 -20.110 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.284 19.092 -20.680 1.00 0.00 H new ATOM 912 N ASP A 79 17.979 18.165 -17.914 1.00 0.00 N ATOM 913 CA ASP A 79 17.679 18.470 -16.503 1.00 0.00 C ATOM 914 C ASP A 79 18.305 17.450 -15.526 1.00 0.00 C ATOM 915 O ASP A 79 18.589 16.313 -15.909 1.00 0.00 O ATOM 916 CB ASP A 79 16.157 18.546 -16.317 1.00 0.00 C ATOM 917 CG ASP A 79 15.800 19.215 -14.991 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.806 20.464 -14.907 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.571 18.474 -14.012 1.00 0.00 O ATOM 0 H ASP A 79 17.301 17.532 -18.338 1.00 0.00 H new ATOM 0 HA ASP A 79 18.130 19.433 -16.263 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.714 19.105 -17.141 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.733 17.542 -16.348 1.00 0.00 H new ATOM 924 N LEU A 80 18.458 17.814 -14.244 1.00 0.00 N ATOM 925 CA LEU A 80 18.863 16.890 -13.173 1.00 0.00 C ATOM 926 C LEU A 80 17.905 15.694 -13.081 1.00 0.00 C ATOM 927 O LEU A 80 18.347 14.546 -13.016 1.00 0.00 O ATOM 928 CB LEU A 80 18.877 17.635 -11.825 1.00 0.00 C ATOM 929 CG LEU A 80 20.068 17.274 -10.917 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.014 18.154 -9.667 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.088 15.815 -10.457 1.00 0.00 C ATOM 0 H LEU A 80 18.303 18.768 -13.918 1.00 0.00 H new ATOM 0 HA LEU A 80 19.861 16.517 -13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.892 18.708 -12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.950 17.419 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 80 20.966 17.437 -11.513 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.852 17.910 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.074 19.203 -9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.078 17.977 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.958 15.645 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.180 15.599 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.140 15.160 -11.327 1.00 0.00 H new ATOM 943 N LEU A 81 16.591 15.954 -13.131 1.00 0.00 N ATOM 944 CA LEU A 81 15.587 14.893 -13.176 1.00 0.00 C ATOM 945 C LEU A 81 15.798 13.941 -14.372 1.00 0.00 C ATOM 946 O LEU A 81 15.735 12.723 -14.207 1.00 0.00 O ATOM 947 CB LEU A 81 14.185 15.536 -13.137 1.00 0.00 C ATOM 948 CG LEU A 81 12.997 14.554 -13.212 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.067 13.417 -12.189 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.693 15.319 -12.977 1.00 0.00 C ATOM 0 H LEU A 81 16.202 16.897 -13.141 1.00 0.00 H new ATOM 0 HA LEU A 81 15.690 14.252 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.096 16.115 -12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.105 16.239 -13.966 1.00 0.00 H new ATOM 0 HG LEU A 81 13.039 14.105 -14.204 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.198 12.770 -12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.976 12.837 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.078 13.834 -11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.851 14.628 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.718 15.787 -11.993 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.579 16.088 -13.741 1.00 0.00 H new ATOM 962 N GLY A 82 16.137 14.473 -15.551 1.00 0.00 N ATOM 963 CA GLY A 82 16.479 13.674 -16.736 1.00 0.00 C ATOM 964 C GLY A 82 17.761 12.849 -16.566 1.00 0.00 C ATOM 965 O GLY A 82 17.808 11.686 -16.968 1.00 0.00 O ATOM 0 H GLY A 82 16.183 15.479 -15.713 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.651 13.002 -16.963 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.594 14.339 -17.592 1.00 0.00 H new ATOM 969 N GLU A 83 18.781 13.406 -15.907 1.00 0.00 N ATOM 970 CA GLU A 83 20.045 12.717 -15.622 1.00 0.00 C ATOM 971 C GLU A 83 19.845 11.544 -14.646 1.00 0.00 C ATOM 972 O GLU A 83 20.412 10.468 -14.853 1.00 0.00 O ATOM 973 CB GLU A 83 21.113 13.742 -15.177 1.00 0.00 C ATOM 974 CG GLU A 83 21.723 13.544 -13.785 1.00 0.00 C ATOM 975 CD GLU A 83 22.878 14.538 -13.548 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.621 15.732 -13.259 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.062 14.130 -13.651 1.00 0.00 O ATOM 0 H GLU A 83 18.753 14.361 -15.551 1.00 0.00 H new ATOM 0 HA GLU A 83 20.421 12.253 -16.534 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.922 13.729 -15.907 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.667 14.736 -15.214 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.956 13.683 -13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.090 12.522 -13.686 1.00 0.00 H new ATOM 984 N LEU A 84 18.989 11.712 -13.628 1.00 0.00 N ATOM 985 CA LEU A 84 18.617 10.645 -12.702 1.00 0.00 C ATOM 986 C LEU A 84 17.755 9.557 -13.367 1.00 0.00 C ATOM 987 O LEU A 84 17.959 8.366 -13.123 1.00 0.00 O ATOM 988 CB LEU A 84 17.903 11.286 -11.504 1.00 0.00 C ATOM 989 CG LEU A 84 17.485 10.269 -10.432 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.680 9.562 -9.790 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.734 11.005 -9.338 1.00 0.00 C ATOM 0 H LEU A 84 18.534 12.602 -13.427 1.00 0.00 H new ATOM 0 HA LEU A 84 19.518 10.129 -12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.560 12.029 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.018 11.815 -11.858 1.00 0.00 H new ATOM 0 HG LEU A 84 16.869 9.514 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.325 8.855 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.241 9.027 -10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.327 10.300 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.429 10.298 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.382 11.763 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.851 11.483 -9.761 1.00 0.00 H new ATOM 1003 N LEU A 85 16.818 9.960 -14.229 1.00 0.00 N ATOM 1004 CA LEU A 85 16.003 9.054 -15.048 1.00 0.00 C ATOM 1005 C LEU A 85 16.851 8.268 -16.069 1.00 0.00 C ATOM 1006 O LEU A 85 16.512 7.130 -16.397 1.00 0.00 O ATOM 1007 CB LEU A 85 14.902 9.882 -15.750 1.00 0.00 C ATOM 1008 CG LEU A 85 13.674 10.137 -14.869 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.852 11.278 -15.452 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.767 8.905 -14.775 1.00 0.00 C ATOM 0 H LEU A 85 16.599 10.944 -14.381 1.00 0.00 H new ATOM 0 HA LEU A 85 15.546 8.307 -14.399 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.321 10.839 -16.061 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.588 9.362 -16.655 1.00 0.00 H new ATOM 0 HG LEU A 85 14.041 10.382 -13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.980 11.456 -14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.461 12.181 -15.493 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.526 11.014 -16.458 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.910 9.132 -14.141 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.419 8.632 -15.771 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.326 8.074 -14.346 1.00 0.00 H new ATOM 1022 N GLY A 86 17.940 8.860 -16.577 1.00 0.00 N ATOM 1023 CA GLY A 86 18.759 8.306 -17.668 1.00 0.00 C ATOM 1024 C GLY A 86 18.091 8.414 -19.050 1.00 0.00 C ATOM 1025 O GLY A 86 18.503 7.744 -20.000 1.00 0.00 O ATOM 0 H GLY A 86 18.285 9.757 -16.235 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.716 8.827 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.972 7.258 -17.456 1.00 0.00 H new ATOM 1029 N ARG A 87 17.032 9.229 -19.142 1.00 0.00 N ATOM 1030 CA ARG A 87 16.137 9.426 -20.294 1.00 0.00 C ATOM 1031 C ARG A 87 15.519 10.821 -20.247 1.00 0.00 C ATOM 1032 O ARG A 87 15.214 11.350 -19.180 1.00 0.00 O ATOM 1033 CB ARG A 87 15.069 8.309 -20.352 1.00 0.00 C ATOM 1034 CG ARG A 87 14.244 8.193 -19.064 1.00 0.00 C ATOM 1035 CD ARG A 87 13.315 6.984 -19.004 1.00 0.00 C ATOM 1036 NE ARG A 87 12.270 7.060 -20.039 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.818 6.114 -20.840 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.236 4.882 -20.787 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.915 6.423 -21.722 1.00 0.00 N ATOM 0 H ARG A 87 16.756 9.814 -18.353 1.00 0.00 H new ATOM 0 HA ARG A 87 16.716 9.357 -21.215 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.398 8.500 -21.189 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.560 7.356 -20.548 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.926 8.151 -18.215 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.647 9.098 -18.949 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.895 6.070 -19.136 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.851 6.928 -18.019 1.00 0.00 H new ATOM 0 HE ARG A 87 11.833 7.975 -20.153 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.944 4.613 -20.104 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.855 4.186 -21.429 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.570 7.381 -21.785 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.551 5.708 -22.352 1.00 0.00 H new ATOM 1053 N GLN A 88 15.305 11.389 -21.427 1.00 0.00 N ATOM 1054 CA GLN A 88 14.730 12.725 -21.615 1.00 0.00 C ATOM 1055 C GLN A 88 13.217 12.783 -21.427 1.00 0.00 C ATOM 1056 O GLN A 88 12.673 13.878 -21.368 1.00 0.00 O ATOM 1057 CB GLN A 88 15.114 13.236 -23.010 1.00 0.00 C ATOM 1058 CG GLN A 88 14.499 12.462 -24.192 1.00 0.00 C ATOM 1059 CD GLN A 88 14.982 13.009 -25.536 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.880 12.471 -26.172 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.423 14.101 -26.018 1.00 0.00 N ATOM 0 H GLN A 88 15.531 10.925 -22.307 1.00 0.00 H new ATOM 0 HA GLN A 88 15.144 13.365 -20.836 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.817 14.282 -23.089 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.200 13.205 -23.103 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.761 11.407 -24.113 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.412 12.525 -24.143 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.674 14.561 -25.501 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.739 14.486 -26.908 1.00 0.00 H new ATOM 1070 N SER A 89 12.521 11.649 -21.386 1.00 0.00 N ATOM 1071 CA SER A 89 11.044 11.665 -21.352 1.00 0.00 C ATOM 1072 C SER A 89 10.340 10.433 -20.780 1.00 0.00 C ATOM 1073 O SER A 89 10.841 9.310 -20.824 1.00 0.00 O ATOM 1074 CB SER A 89 10.502 11.931 -22.765 1.00 0.00 C ATOM 1075 OG SER A 89 10.910 10.912 -23.670 1.00 0.00 O ATOM 0 H SER A 89 12.938 10.718 -21.375 1.00 0.00 H new ATOM 0 HA SER A 89 10.812 12.463 -20.646 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.414 11.982 -22.737 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.858 12.899 -23.118 1.00 0.00 H new ATOM 0 HG SER A 89 10.551 11.103 -24.562 1.00 0.00 H new ATOM 1081 N PHE A 90 9.142 10.675 -20.246 1.00 0.00 N ATOM 1082 CA PHE A 90 8.159 9.718 -19.718 1.00 0.00 C ATOM 1083 C PHE A 90 6.783 10.417 -19.670 1.00 0.00 C ATOM 1084 O PHE A 90 6.676 11.600 -19.997 1.00 0.00 O ATOM 1085 CB PHE A 90 8.587 9.233 -18.320 1.00 0.00 C ATOM 1086 CG PHE A 90 8.625 10.317 -17.260 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.733 11.178 -17.189 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.550 10.488 -16.366 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.771 12.204 -16.233 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.589 11.511 -15.402 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.709 12.363 -15.319 1.00 0.00 C ATOM 0 H PHE A 90 8.801 11.633 -20.163 1.00 0.00 H new ATOM 0 HA PHE A 90 8.097 8.841 -20.362 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.901 8.450 -17.996 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.576 8.780 -18.394 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.559 11.049 -17.873 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.694 9.832 -16.421 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.617 12.875 -16.197 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.759 11.644 -14.724 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.753 13.131 -14.561 1.00 0.00 H new ATOM 1101 N SER A 91 5.723 9.726 -19.246 1.00 0.00 N ATOM 1102 CA SER A 91 4.376 10.307 -19.151 1.00 0.00 C ATOM 1103 C SER A 91 3.713 10.026 -17.806 1.00 0.00 C ATOM 1104 O SER A 91 3.934 8.989 -17.186 1.00 0.00 O ATOM 1105 CB SER A 91 3.508 9.760 -20.290 1.00 0.00 C ATOM 1106 OG SER A 91 2.184 10.264 -20.203 1.00 0.00 O ATOM 0 H SER A 91 5.771 8.749 -18.958 1.00 0.00 H new ATOM 0 HA SER A 91 4.474 11.389 -19.237 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.944 10.036 -21.250 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.491 8.671 -20.249 1.00 0.00 H new ATOM 0 HG SER A 91 1.648 9.904 -20.940 1.00 0.00 H new ATOM 1112 N VAL A 92 2.823 10.925 -17.392 1.00 0.00 N ATOM 1113 CA VAL A 92 1.885 10.743 -16.268 1.00 0.00 C ATOM 1114 C VAL A 92 1.048 9.462 -16.475 1.00 0.00 C ATOM 1115 O VAL A 92 0.646 8.812 -15.509 1.00 0.00 O ATOM 1116 CB VAL A 92 0.982 11.988 -16.242 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.353 11.894 -15.509 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.727 13.230 -15.739 1.00 0.00 C ATOM 0 H VAL A 92 2.725 11.836 -17.841 1.00 0.00 H new ATOM 0 HA VAL A 92 2.416 10.632 -15.322 1.00 0.00 H new ATOM 0 HB VAL A 92 0.718 12.069 -17.296 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.874 12.849 -15.579 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.963 11.113 -15.963 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.176 11.653 -14.461 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.050 14.085 -15.738 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.089 13.052 -14.726 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.572 13.438 -16.395 1.00 0.00 H new ATOM 1128 N LYS A 93 0.822 9.083 -17.746 1.00 0.00 N ATOM 1129 CA LYS A 93 0.054 7.908 -18.200 1.00 0.00 C ATOM 1130 C LYS A 93 0.926 6.665 -18.486 1.00 0.00 C ATOM 1131 O LYS A 93 0.394 5.588 -18.755 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.783 8.316 -19.431 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.736 9.494 -19.145 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.465 9.963 -20.412 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.363 11.164 -20.078 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.969 11.763 -21.299 1.00 0.00 N ATOM 0 H LYS A 93 1.192 9.620 -18.530 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.601 7.599 -17.385 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.112 8.587 -20.246 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.365 7.458 -19.769 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.468 9.194 -18.395 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.170 10.325 -18.724 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.741 10.240 -21.178 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.066 9.150 -20.820 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.154 10.847 -19.398 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.778 11.920 -19.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.567 12.570 -21.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.215 12.089 -21.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.549 11.049 -21.785 1.00 0.00 H new ATOM 1150 N ASP A 94 2.253 6.802 -18.408 1.00 0.00 N ATOM 1151 CA ASP A 94 3.257 5.727 -18.511 1.00 0.00 C ATOM 1152 C ASP A 94 4.452 6.056 -17.578 1.00 0.00 C ATOM 1153 O ASP A 94 5.529 6.448 -18.046 1.00 0.00 O ATOM 1154 CB ASP A 94 3.670 5.555 -19.985 1.00 0.00 C ATOM 1155 CG ASP A 94 4.674 4.406 -20.192 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.570 3.366 -19.498 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.549 4.521 -21.085 1.00 0.00 O ATOM 0 H ASP A 94 2.684 7.715 -18.263 1.00 0.00 H new ATOM 0 HA ASP A 94 2.846 4.773 -18.182 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.781 5.368 -20.587 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.109 6.485 -20.346 1.00 0.00 H new ATOM 1162 N PRO A 95 4.258 5.952 -16.245 1.00 0.00 N ATOM 1163 CA PRO A 95 5.188 6.470 -15.235 1.00 0.00 C ATOM 1164 C PRO A 95 6.320 5.525 -14.798 1.00 0.00 C ATOM 1165 O PRO A 95 7.155 5.912 -13.977 1.00 0.00 O ATOM 1166 CB PRO A 95 4.258 6.811 -14.071 1.00 0.00 C ATOM 1167 CG PRO A 95 3.256 5.661 -14.092 1.00 0.00 C ATOM 1168 CD PRO A 95 3.034 5.486 -15.593 1.00 0.00 C ATOM 0 HA PRO A 95 5.758 7.308 -15.637 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.796 6.861 -13.124 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.770 7.775 -14.212 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.655 4.759 -13.627 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.334 5.909 -13.566 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.836 4.443 -15.838 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.171 6.062 -15.928 1.00 0.00 H new ATOM 1176 N SER A 96 6.368 4.296 -15.320 1.00 0.00 N ATOM 1177 CA SER A 96 7.247 3.203 -14.866 1.00 0.00 C ATOM 1178 C SER A 96 8.718 3.562 -14.570 1.00 0.00 C ATOM 1179 O SER A 96 9.204 3.134 -13.518 1.00 0.00 O ATOM 1180 CB SER A 96 7.199 2.051 -15.879 1.00 0.00 C ATOM 1181 OG SER A 96 5.857 1.616 -16.060 1.00 0.00 O ATOM 0 H SER A 96 5.774 4.020 -16.102 1.00 0.00 H new ATOM 0 HA SER A 96 6.839 2.923 -13.895 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.616 2.377 -16.832 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.814 1.222 -15.529 1.00 0.00 H new ATOM 0 HG SER A 96 5.836 0.882 -16.709 1.00 0.00 H new ATOM 1187 N PRO A 97 9.455 4.346 -15.394 1.00 0.00 N ATOM 1188 CA PRO A 97 10.874 4.604 -15.127 1.00 0.00 C ATOM 1189 C PRO A 97 11.139 5.466 -13.881 1.00 0.00 C ATOM 1190 O PRO A 97 12.228 5.370 -13.317 1.00 0.00 O ATOM 1191 CB PRO A 97 11.425 5.257 -16.396 1.00 0.00 C ATOM 1192 CG PRO A 97 10.200 5.923 -17.016 1.00 0.00 C ATOM 1193 CD PRO A 97 9.086 4.935 -16.682 1.00 0.00 C ATOM 0 HA PRO A 97 11.377 3.666 -14.894 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.204 5.984 -16.167 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.864 4.520 -17.068 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.012 6.907 -16.587 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.313 6.060 -18.091 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.121 5.438 -16.621 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.998 4.169 -17.452 1.00 0.00 H new ATOM 1201 N LEU A 98 10.172 6.259 -13.394 1.00 0.00 N ATOM 1202 CA LEU A 98 10.348 7.054 -12.171 1.00 0.00 C ATOM 1203 C LEU A 98 10.519 6.128 -10.955 1.00 0.00 C ATOM 1204 O LEU A 98 11.480 6.227 -10.192 1.00 0.00 O ATOM 1205 CB LEU A 98 9.207 8.102 -12.073 1.00 0.00 C ATOM 1206 CG LEU A 98 7.925 7.755 -11.286 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.070 7.960 -9.772 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.777 8.655 -11.742 1.00 0.00 C ATOM 0 H LEU A 98 9.257 6.366 -13.831 1.00 0.00 H new ATOM 0 HA LEU A 98 11.270 7.634 -12.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.629 9.004 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.908 8.356 -13.090 1.00 0.00 H new ATOM 0 HG LEU A 98 7.732 6.701 -11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.134 7.698 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.870 7.324 -9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.309 9.004 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.875 8.405 -11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.039 9.698 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.598 8.505 -12.807 1.00 0.00 H new ATOM 1220 N TYR A 99 9.652 5.127 -10.821 1.00 0.00 N ATOM 1221 CA TYR A 99 9.736 4.185 -9.714 1.00 0.00 C ATOM 1222 C TYR A 99 11.059 3.409 -9.750 1.00 0.00 C ATOM 1223 O TYR A 99 11.638 3.147 -8.705 1.00 0.00 O ATOM 1224 CB TYR A 99 8.530 3.241 -9.760 1.00 0.00 C ATOM 1225 CG TYR A 99 7.185 3.931 -9.618 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.501 4.385 -10.762 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.612 4.113 -8.343 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.248 5.007 -10.635 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.339 4.705 -8.216 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.644 5.138 -9.367 1.00 0.00 C ATOM 1231 OH TYR A 99 3.389 5.657 -9.269 1.00 0.00 O ATOM 0 H TYR A 99 8.883 4.949 -11.468 1.00 0.00 H new ATOM 0 HA TYR A 99 9.716 4.734 -8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.547 2.696 -10.704 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.632 2.503 -8.964 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.941 4.255 -11.740 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.150 3.798 -7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.745 5.387 -11.512 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.895 4.827 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 99 3.117 5.679 -8.328 1.00 0.00 H new ATOM 1241 N ASP A 100 11.609 3.146 -10.937 1.00 0.00 N ATOM 1242 CA ASP A 100 12.905 2.479 -11.118 1.00 0.00 C ATOM 1243 C ASP A 100 14.088 3.379 -10.743 1.00 0.00 C ATOM 1244 O ASP A 100 15.048 2.933 -10.118 1.00 0.00 O ATOM 1245 CB ASP A 100 13.021 2.013 -12.560 1.00 0.00 C ATOM 1246 CG ASP A 100 14.073 0.903 -12.710 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.821 -0.223 -12.217 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.138 1.149 -13.324 1.00 0.00 O ATOM 0 H ASP A 100 11.159 3.395 -11.818 1.00 0.00 H new ATOM 0 HA ASP A 100 12.945 1.625 -10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.053 1.648 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.288 2.857 -13.196 1.00 0.00 H new ATOM 1253 N MET A 101 13.980 4.674 -11.047 1.00 0.00 N ATOM 1254 CA MET A 101 14.921 5.693 -10.560 1.00 0.00 C ATOM 1255 C MET A 101 14.870 5.812 -9.023 1.00 0.00 C ATOM 1256 O MET A 101 15.879 6.150 -8.409 1.00 0.00 O ATOM 1257 CB MET A 101 14.718 7.044 -11.285 1.00 0.00 C ATOM 1258 CG MET A 101 14.041 8.104 -10.411 1.00 0.00 C ATOM 1259 SD MET A 101 13.377 9.535 -11.274 1.00 0.00 S ATOM 1260 CE MET A 101 12.052 9.920 -10.104 1.00 0.00 C ATOM 0 H MET A 101 13.238 5.049 -11.638 1.00 0.00 H new ATOM 0 HA MET A 101 15.932 5.369 -10.807 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.686 7.420 -11.616 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.116 6.882 -12.179 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.229 7.628 -9.861 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.764 8.453 -9.673 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.535 10.824 -10.425 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.345 9.091 -10.069 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.476 10.077 -9.112 1.00 0.00 H new ATOM 1270 N LEU A 102 13.720 5.531 -8.389 1.00 0.00 N ATOM 1271 CA LEU A 102 13.589 5.485 -6.936 1.00 0.00 C ATOM 1272 C LEU A 102 14.166 4.171 -6.410 1.00 0.00 C ATOM 1273 O LEU A 102 14.948 4.236 -5.477 1.00 0.00 O ATOM 1274 CB LEU A 102 12.129 5.696 -6.475 1.00 0.00 C ATOM 1275 CG LEU A 102 11.485 7.044 -6.851 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.062 7.118 -6.304 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.258 8.255 -6.341 1.00 0.00 C ATOM 0 H LEU A 102 12.850 5.328 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 102 14.160 6.312 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.519 4.896 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.093 5.590 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 102 11.493 7.081 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.617 8.075 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.467 6.308 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.084 7.024 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.745 9.168 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.318 8.216 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.264 8.248 -6.761 1.00 0.00 H new ATOM 1289 N ARG A 103 13.905 3.013 -7.038 1.00 0.00 N ATOM 1290 CA ARG A 103 14.278 1.669 -6.539 1.00 0.00 C ATOM 1291 C ARG A 103 15.704 1.562 -5.966 1.00 0.00 C ATOM 1292 O ARG A 103 15.923 0.899 -4.951 1.00 0.00 O ATOM 1293 CB ARG A 103 14.138 0.619 -7.664 1.00 0.00 C ATOM 1294 CG ARG A 103 12.722 0.073 -7.902 1.00 0.00 C ATOM 1295 CD ARG A 103 12.756 -1.086 -8.906 1.00 0.00 C ATOM 1296 NE ARG A 103 11.393 -1.569 -9.207 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.835 -1.757 -10.392 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.433 -1.490 -11.519 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.624 -2.231 -10.466 1.00 0.00 N ATOM 0 H ARG A 103 13.415 2.979 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 103 13.587 1.481 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.497 1.061 -8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.796 -0.220 -7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.294 -0.267 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.077 0.868 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.241 -0.760 -9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.354 -1.903 -8.503 1.00 0.00 H new ATOM 0 HE ARG A 103 10.808 -1.785 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.382 -1.115 -11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.952 -1.656 -12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.111 -2.455 -9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.189 -2.378 -11.377 1.00 0.00 H new ATOM 1313 N LYS A 104 16.660 2.217 -6.636 1.00 0.00 N ATOM 1314 CA LYS A 104 18.102 2.242 -6.348 1.00 0.00 C ATOM 1315 C LYS A 104 18.644 3.540 -5.712 1.00 0.00 C ATOM 1316 O LYS A 104 19.820 3.597 -5.359 1.00 0.00 O ATOM 1317 CB LYS A 104 18.872 1.792 -7.612 1.00 0.00 C ATOM 1318 CG LYS A 104 18.325 2.211 -8.992 1.00 0.00 C ATOM 1319 CD LYS A 104 18.038 3.712 -9.172 1.00 0.00 C ATOM 1320 CE LYS A 104 19.230 4.652 -8.930 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.331 4.451 -9.922 1.00 0.00 N ATOM 0 H LYS A 104 16.431 2.784 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 104 18.278 1.528 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.892 2.168 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.931 0.704 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.041 1.904 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.404 1.659 -9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.671 3.874 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.233 3.993 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.888 5.686 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.618 4.490 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.110 5.109 -9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.679 3.473 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.972 4.632 -10.881 1.00 0.00 H new ATOM 1335 N ASN A 105 17.820 4.585 -5.577 1.00 0.00 N ATOM 1336 CA ASN A 105 18.183 5.879 -4.957 1.00 0.00 C ATOM 1337 C ASN A 105 17.472 6.126 -3.616 1.00 0.00 C ATOM 1338 O ASN A 105 17.961 6.864 -2.761 1.00 0.00 O ATOM 1339 CB ASN A 105 17.870 7.001 -5.948 1.00 0.00 C ATOM 1340 CG ASN A 105 18.922 8.074 -5.803 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.759 9.047 -5.097 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.087 7.858 -6.363 1.00 0.00 N ATOM 0 H ASN A 105 16.854 4.560 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 105 19.249 5.856 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.861 6.615 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.880 7.413 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.857 8.508 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.224 7.040 -6.957 1.00 0.00 H new ATOM 1349 N LEU A 106 16.297 5.517 -3.469 1.00 0.00 N ATOM 1350 CA LEU A 106 15.394 5.611 -2.328 1.00 0.00 C ATOM 1351 C LEU A 106 14.865 4.225 -1.910 1.00 0.00 C ATOM 1352 O LEU A 106 14.311 3.476 -2.714 1.00 0.00 O ATOM 1353 CB LEU A 106 14.275 6.578 -2.752 1.00 0.00 C ATOM 1354 CG LEU A 106 13.077 6.643 -1.803 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.453 7.157 -0.409 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.023 7.588 -2.360 1.00 0.00 C ATOM 0 H LEU A 106 15.927 4.903 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 106 15.903 5.989 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.698 7.578 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.920 6.287 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 106 12.702 5.623 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.564 7.182 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.195 6.493 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.868 8.162 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.174 7.628 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.449 8.585 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.690 7.228 -3.334 1.00 0.00 H new ATOM 1368 N VAL A 107 14.986 3.923 -0.615 1.00 0.00 N ATOM 1369 CA VAL A 107 14.434 2.717 0.034 1.00 0.00 C ATOM 1370 C VAL A 107 13.222 3.101 0.897 1.00 0.00 C ATOM 1371 O VAL A 107 13.189 4.195 1.456 1.00 0.00 O ATOM 1372 CB VAL A 107 15.530 1.980 0.838 1.00 0.00 C ATOM 1373 CG1 VAL A 107 15.023 0.691 1.498 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.709 1.589 -0.067 1.00 0.00 C ATOM 0 H VAL A 107 15.486 4.527 0.038 1.00 0.00 H new ATOM 0 HA VAL A 107 14.086 2.018 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 107 15.840 2.684 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.837 0.219 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 107 14.211 0.929 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.659 0.008 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.465 1.072 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 107 16.356 0.930 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.143 2.487 -0.507 1.00 0.00 H new ATOM 1384 N THR A 108 12.222 2.223 1.013 1.00 0.00 N ATOM 1385 CA THR A 108 11.015 2.425 1.847 1.00 0.00 C ATOM 1386 C THR A 108 10.697 1.175 2.692 1.00 0.00 C ATOM 1387 O THR A 108 11.499 0.240 2.757 1.00 0.00 O ATOM 1388 CB THR A 108 9.848 2.919 0.968 1.00 0.00 C ATOM 1389 OG1 THR A 108 8.731 3.306 1.741 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.361 1.898 -0.062 1.00 0.00 C ATOM 0 H THR A 108 12.221 1.329 0.522 1.00 0.00 H new ATOM 0 HA THR A 108 11.200 3.210 2.580 1.00 0.00 H new ATOM 0 HB THR A 108 10.270 3.773 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.012 3.956 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.540 2.325 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.180 1.640 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.016 1.000 0.451 1.00 0.00 H new ATOM 1398 N LEU A 109 9.552 1.162 3.383 1.00 0.00 N ATOM 1399 CA LEU A 109 9.166 0.114 4.343 1.00 0.00 C ATOM 1400 C LEU A 109 8.956 -1.268 3.690 1.00 0.00 C ATOM 1401 O LEU A 109 9.224 -2.300 4.309 1.00 0.00 O ATOM 1402 CB LEU A 109 7.907 0.578 5.082 1.00 0.00 C ATOM 1403 CG LEU A 109 7.519 -0.302 6.288 1.00 0.00 C ATOM 1404 CD1 LEU A 109 8.645 -0.516 7.305 1.00 0.00 C ATOM 1405 CD2 LEU A 109 6.387 0.404 7.018 1.00 0.00 C ATOM 0 H LEU A 109 8.849 1.896 3.290 1.00 0.00 H new ATOM 0 HA LEU A 109 9.989 -0.026 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.058 1.601 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.074 0.599 4.379 1.00 0.00 H new ATOM 0 HG LEU A 109 7.254 -1.282 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.285 -1.145 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.489 -1.002 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.963 0.447 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.084 -0.190 7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.726 1.384 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.539 0.524 6.344 1.00 0.00 H new ATOM 1417 N ALA A 110 8.484 -1.289 2.439 1.00 0.00 N ATOM 1418 CA ALA A 110 8.236 -2.512 1.677 1.00 0.00 C ATOM 1419 C ALA A 110 9.539 -3.243 1.288 1.00 0.00 C ATOM 1420 O ALA A 110 10.538 -2.614 0.923 1.00 0.00 O ATOM 1421 CB ALA A 110 7.392 -2.159 0.445 1.00 0.00 C ATOM 0 H ALA A 110 8.260 -0.440 1.921 1.00 0.00 H new ATOM 0 HA ALA A 110 7.688 -3.213 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.198 -3.062 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.446 -1.723 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.932 -1.441 -0.172 1.00 0.00 H new ATOM 1427 N THR A 111 9.521 -4.579 1.346 1.00 0.00 N ATOM 1428 CA THR A 111 10.686 -5.451 1.102 1.00 0.00 C ATOM 1429 C THR A 111 10.330 -6.779 0.425 1.00 0.00 C ATOM 1430 O THR A 111 9.173 -7.227 0.446 1.00 0.00 O ATOM 1431 CB THR A 111 11.432 -5.691 2.422 1.00 0.00 C ATOM 1432 OG1 THR A 111 12.678 -6.304 2.152 1.00 0.00 O ATOM 1433 CG2 THR A 111 10.682 -6.556 3.440 1.00 0.00 C ATOM 0 H THR A 111 8.675 -5.103 1.570 1.00 0.00 H new ATOM 0 HA THR A 111 11.333 -4.929 0.397 1.00 0.00 H new ATOM 0 HB THR A 111 11.543 -4.705 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 111 13.157 -6.457 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 111 11.289 -6.669 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.737 -6.078 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.486 -7.538 3.009 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.358 13.790 -12.098 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.783 14.178 -10.888 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.863 11.904 -10.985 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.422 15.650 -13.633 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.339 14.494 -12.135 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.547 13.453 -9.969 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.381 10.893 -10.150 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.832 11.573 -11.933 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.502 15.088 -14.330 1.00 0.00 C HETATM 1451 CD6 48M A 200 0.217 16.777 -14.187 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.605 14.024 -12.483 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.812 12.985 -10.318 1.00 0.00 C HETATM 1454 CE3 48M A 200 0.897 9.598 -10.226 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.401 10.308 -11.963 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.021 15.695 -15.466 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.325 17.393 -15.319 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.334 13.259 -11.577 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.923 9.306 -11.125 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.458 16.872 -15.940 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.875 12.615 -12.019 1.00 0.00 CL HETATM 1462 CL1 48M A 200 3.757 10.044 -12.998 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.091 17.558 -17.035 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.470 19.168 -14.769 1.00 0.00 C HETATM 1465 CM3 48M A 200 2.987 16.752 -15.465 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.635 18.099 -17.883 1.00 0.00 N HETATM 1467 C1 48M A 200 -0.909 20.205 -11.487 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.019 19.717 -12.064 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.792 21.412 -11.401 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.356 18.290 -12.139 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.129 17.767 -11.119 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.573 17.447 -11.114 1.00 0.00 C HETATM 1473 N3 48M A 200 0.762 15.608 -11.336 1.00 0.00 N HETATM 1474 C4 48M A 200 0.141 19.225 -10.963 1.00 0.00 C HETATM 1475 C5 48M A 200 0.862 16.870 -10.861 1.00 0.00 C HETATM 1476 O5 48M A 200 1.816 17.208 -10.188 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.057 15.010 -12.330 1.00 0.00 C HETATM 1478 O6 48M A 200 1.392 17.254 -13.627 1.00 0.00 O HETATM 1479 C7 48M A 200 0.314 13.330 -10.861 1.00 0.00 C HETATM 1480 C8 48M A 200 1.320 14.492 -10.556 1.00 0.00 C HETATM 1481 C9 48M A 200 2.595 17.702 -14.314 1.00 0.00 C