USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 953 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 45 LYS NZ :NH3+ 154:sc= 2.29 (180deg=1.44) USER MOD Set 1.2: A 49 SER OG : rot -170:sc= 0.103 USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.109 X(o=1.1,f=1.2) USER MOD Set 2.2: A 81 TYR OH : rot -9:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.108) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0232 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.5!) USER MOD Single : A 14 CYS SG : rot -15:sc= -1.92! USER MOD Single : A 22 MET CE :methyl -133:sc= -0.736 (180deg=-2.59!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 0.969 (180deg=-0.266!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00393 USER MOD Single : A 35 SER OG : rot 67:sc= 1.16 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -118:sc= 1.17 USER MOD Single : A 39 THR OG1 : rot 26:sc= -0.507! USER MOD Single : A 40 SER OG : rot 180:sc= -2.48! USER MOD Single : A 43 ASN : amide:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.088 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.15 K(o=1.1,f=-0.0013) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.125 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.166 F(o=-1.8,f=-0.17) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -5:sc= -5.67! USER MOD Single : A 80 HIS : no HE2:sc= 0.853 K(o=0.85,f=-5.8!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.021 F(o=-1.6!,f=-0.021) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 87 SER OG : rot -150:sc= -0.657 USER MOD Single : A 94 TYR OH : rot 165:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.139 K(o=0.14,f=-7!) USER MOD Single : A 104 ASN : amide:sc= -4.16! C(o=-4.2!,f=-13!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 1.09 (180deg=1.03) USER MOD Single : A 109 LYS NZ :NH3+ 168:sc=-0.00385 (180deg=-0.0507) USER MOD Single : A 113 ASN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.484 21.748 0.318 1.00 0.00 N ATOM 2 CA MET A 1 -15.307 20.911 0.004 1.00 0.00 C ATOM 3 C MET A 1 -15.050 19.965 1.166 1.00 0.00 C ATOM 4 O MET A 1 -15.151 20.366 2.323 1.00 0.00 O ATOM 5 CB MET A 1 -14.087 21.799 -0.257 1.00 0.00 C ATOM 6 CG MET A 1 -12.882 21.058 -0.817 1.00 0.00 C ATOM 7 SD MET A 1 -11.779 22.137 -1.752 1.00 0.00 S ATOM 8 CE MET A 1 -11.379 23.372 -0.516 1.00 0.00 C ATOM 0 H1 MET A 1 -16.334 22.710 -0.049 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.330 21.337 -0.125 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.617 21.787 1.349 1.00 0.00 H new ATOM 0 HA MET A 1 -15.496 20.326 -0.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.369 22.589 -0.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.799 22.284 0.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.328 20.600 0.003 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.225 20.248 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.560 23.995 -0.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.253 23.995 -0.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.080 22.878 0.409 1.00 0.00 H new ATOM 18 N VAL A 2 -14.753 18.707 0.868 1.00 0.00 N ATOM 19 CA VAL A 2 -14.513 17.722 1.919 1.00 0.00 C ATOM 20 C VAL A 2 -13.063 17.709 2.338 1.00 0.00 C ATOM 21 O VAL A 2 -12.707 17.240 3.420 1.00 0.00 O ATOM 22 CB VAL A 2 -14.947 16.304 1.481 1.00 0.00 C ATOM 23 CG1 VAL A 2 -14.941 15.340 2.662 1.00 0.00 C ATOM 24 CG2 VAL A 2 -16.324 16.344 0.830 1.00 0.00 C ATOM 0 H VAL A 2 -14.673 18.345 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.121 18.018 2.774 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.227 15.942 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.250 14.350 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.936 15.283 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.632 15.696 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.613 15.337 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.052 16.732 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.293 16.991 -0.047 1.00 0.00 H new ATOM 34 N ASP A 3 -12.249 18.260 1.477 1.00 0.00 N ATOM 35 CA ASP A 3 -10.808 18.335 1.684 1.00 0.00 C ATOM 36 C ASP A 3 -10.237 16.942 1.926 1.00 0.00 C ATOM 37 O ASP A 3 -9.324 16.759 2.724 1.00 0.00 O ATOM 38 CB ASP A 3 -10.465 19.256 2.865 1.00 0.00 C ATOM 39 CG ASP A 3 -10.600 20.726 2.528 1.00 0.00 C ATOM 40 OD1 ASP A 3 -11.720 21.273 2.661 1.00 0.00 O ATOM 41 OD2 ASP A 3 -9.588 21.347 2.143 1.00 0.00 O ATOM 0 H ASP A 3 -12.561 18.677 0.600 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.360 18.754 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.119 19.020 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.444 19.056 3.190 1.00 0.00 H new ATOM 46 N LEU A 4 -10.779 15.963 1.211 1.00 0.00 N ATOM 47 CA LEU A 4 -10.361 14.574 1.359 1.00 0.00 C ATOM 48 C LEU A 4 -8.873 14.386 1.065 1.00 0.00 C ATOM 49 O LEU A 4 -8.216 13.550 1.677 1.00 0.00 O ATOM 50 CB LEU A 4 -11.203 13.676 0.446 1.00 0.00 C ATOM 51 CG LEU A 4 -11.337 14.154 -1.001 1.00 0.00 C ATOM 52 CD1 LEU A 4 -10.752 13.126 -1.954 1.00 0.00 C ATOM 53 CD2 LEU A 4 -12.795 14.426 -1.343 1.00 0.00 C ATOM 0 H LEU A 4 -11.514 16.107 0.518 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.522 14.289 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.765 12.678 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.201 13.585 0.875 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.780 15.085 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.855 13.481 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.697 12.977 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.284 12.181 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.869 14.765 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.375 13.511 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.187 15.197 -0.679 1.00 0.00 H new ATOM 65 N GLU A 5 -8.334 15.206 0.167 1.00 0.00 N ATOM 66 CA GLU A 5 -6.927 15.106 -0.227 1.00 0.00 C ATOM 67 C GLU A 5 -5.958 15.540 0.880 1.00 0.00 C ATOM 68 O GLU A 5 -4.766 15.716 0.632 1.00 0.00 O ATOM 69 CB GLU A 5 -6.677 15.925 -1.495 1.00 0.00 C ATOM 70 CG GLU A 5 -7.228 17.341 -1.436 1.00 0.00 C ATOM 71 CD GLU A 5 -6.997 18.094 -2.728 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.690 17.798 -3.726 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.115 18.979 -2.757 1.00 0.00 O ATOM 0 H GLU A 5 -8.849 15.950 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.730 14.051 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.604 15.971 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.124 15.407 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.296 17.306 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.757 17.879 -0.614 1.00 0.00 H new ATOM 80 N GLN A 6 -6.461 15.710 2.097 1.00 0.00 N ATOM 81 CA GLN A 6 -5.603 16.098 3.213 1.00 0.00 C ATOM 82 C GLN A 6 -5.398 14.914 4.152 1.00 0.00 C ATOM 83 O GLN A 6 -4.466 14.896 4.955 1.00 0.00 O ATOM 84 CB GLN A 6 -6.176 17.307 3.967 1.00 0.00 C ATOM 85 CG GLN A 6 -7.343 16.984 4.891 1.00 0.00 C ATOM 86 CD GLN A 6 -6.933 16.866 6.348 1.00 0.00 C ATOM 87 OE1 GLN A 6 -5.993 17.521 6.801 1.00 0.00 O ATOM 88 NE2 GLN A 6 -7.642 16.032 7.091 1.00 0.00 N ATOM 0 H GLN A 6 -7.445 15.588 2.336 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.635 16.397 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.379 17.762 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -6.501 18.051 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.101 17.761 4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.803 16.049 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.413 15.509 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.418 15.912 8.079 1.00 0.00 H new ATOM 97 N GLU A 7 -6.275 13.921 4.035 1.00 0.00 N ATOM 98 CA GLU A 7 -6.196 12.719 4.859 1.00 0.00 C ATOM 99 C GLU A 7 -5.378 11.663 4.134 1.00 0.00 C ATOM 100 O GLU A 7 -5.018 10.630 4.696 1.00 0.00 O ATOM 101 CB GLU A 7 -7.594 12.177 5.165 1.00 0.00 C ATOM 102 CG GLU A 7 -8.689 13.210 4.992 1.00 0.00 C ATOM 103 CD GLU A 7 -9.850 12.999 5.941 1.00 0.00 C ATOM 104 OE1 GLU A 7 -9.647 12.389 7.013 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.969 13.454 5.624 1.00 0.00 O ATOM 0 H GLU A 7 -7.052 13.926 3.374 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.714 12.972 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.798 11.329 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.615 11.803 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.272 14.205 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.054 13.177 3.966 1.00 0.00 H new ATOM 112 N PHE A 8 -5.071 11.956 2.880 1.00 0.00 N ATOM 113 CA PHE A 8 -4.297 11.066 2.055 1.00 0.00 C ATOM 114 C PHE A 8 -3.079 11.834 1.634 1.00 0.00 C ATOM 115 O PHE A 8 -2.965 12.285 0.497 1.00 0.00 O ATOM 116 CB PHE A 8 -5.058 10.595 0.809 1.00 0.00 C ATOM 117 CG PHE A 8 -6.547 10.498 0.965 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.127 9.828 2.029 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.370 11.089 0.025 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.495 9.759 2.149 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.741 11.019 0.139 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.304 10.356 1.203 1.00 0.00 C ATOM 0 H PHE A 8 -5.355 12.818 2.414 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.055 10.167 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.839 11.280 -0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.675 9.617 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.500 9.356 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.932 11.613 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.937 9.237 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.371 11.483 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.378 10.302 1.299 1.00 0.00 H new ATOM 132 N ALA A 9 -2.196 12.040 2.578 1.00 0.00 N ATOM 133 CA ALA A 9 -1.012 12.780 2.322 1.00 0.00 C ATOM 134 C ALA A 9 0.090 12.324 3.245 1.00 0.00 C ATOM 135 O ALA A 9 0.115 11.176 3.687 1.00 0.00 O ATOM 136 CB ALA A 9 -1.288 14.267 2.476 1.00 0.00 C ATOM 0 H ALA A 9 -2.287 11.698 3.535 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.685 12.603 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.375 14.829 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.060 14.569 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.627 14.471 3.492 1.00 0.00 H new ATOM 142 N LEU A 10 0.968 13.239 3.539 1.00 0.00 N ATOM 143 CA LEU A 10 2.128 12.967 4.362 1.00 0.00 C ATOM 144 C LEU A 10 1.744 12.484 5.756 1.00 0.00 C ATOM 145 O LEU A 10 1.282 13.260 6.597 1.00 0.00 O ATOM 146 CB LEU A 10 2.974 14.221 4.447 1.00 0.00 C ATOM 147 CG LEU A 10 3.689 14.613 3.143 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.831 15.578 2.333 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.054 15.225 3.436 1.00 0.00 C ATOM 0 H LEU A 10 0.905 14.204 3.216 1.00 0.00 H new ATOM 0 HA LEU A 10 2.698 12.162 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.338 15.050 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.723 14.084 5.227 1.00 0.00 H new ATOM 0 HG LEU A 10 3.842 13.709 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.352 15.845 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.882 15.102 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.644 16.478 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.541 15.494 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.929 16.117 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.670 14.502 3.970 1.00 0.00 H new ATOM 161 N GLY A 11 1.925 11.187 5.983 1.00 0.00 N ATOM 162 CA GLY A 11 1.603 10.604 7.266 1.00 0.00 C ATOM 163 C GLY A 11 0.114 10.581 7.482 1.00 0.00 C ATOM 164 O GLY A 11 -0.370 10.721 8.604 1.00 0.00 O ATOM 0 H GLY A 11 2.291 10.529 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.999 9.590 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.082 11.176 8.061 1.00 0.00 H new ATOM 168 N GLY A 12 -0.611 10.431 6.388 1.00 0.00 N ATOM 169 CA GLY A 12 -2.050 10.394 6.456 1.00 0.00 C ATOM 170 C GLY A 12 -2.553 9.053 6.934 1.00 0.00 C ATOM 171 O GLY A 12 -2.190 8.014 6.382 1.00 0.00 O ATOM 0 H GLY A 12 -0.224 10.334 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.403 11.176 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.466 10.609 5.472 1.00 0.00 H new ATOM 175 N ARG A 13 -3.357 9.076 7.981 1.00 0.00 N ATOM 176 CA ARG A 13 -3.925 7.863 8.520 1.00 0.00 C ATOM 177 C ARG A 13 -5.240 7.619 7.799 1.00 0.00 C ATOM 178 O ARG A 13 -6.227 8.320 8.027 1.00 0.00 O ATOM 179 CB ARG A 13 -4.119 8.026 10.036 1.00 0.00 C ATOM 180 CG ARG A 13 -5.043 7.007 10.681 1.00 0.00 C ATOM 181 CD ARG A 13 -5.764 7.611 11.880 1.00 0.00 C ATOM 182 NE ARG A 13 -6.557 8.785 11.499 1.00 0.00 N ATOM 183 CZ ARG A 13 -7.452 9.380 12.288 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.620 8.970 13.546 1.00 0.00 N ATOM 185 NH2 ARG A 13 -8.163 10.401 11.821 1.00 0.00 N ATOM 0 H ARG A 13 -3.630 9.927 8.474 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.271 7.004 8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.144 7.967 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.511 9.024 10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.773 6.658 9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.468 6.137 10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.416 6.861 12.329 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.035 7.895 12.639 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.414 9.173 10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.062 8.197 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.306 9.429 14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.022 10.725 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.849 10.861 12.419 1.00 0.00 H new ATOM 199 N CYS A 14 -5.249 6.630 6.924 1.00 0.00 N ATOM 200 CA CYS A 14 -6.425 6.337 6.143 1.00 0.00 C ATOM 201 C CYS A 14 -6.708 4.845 6.105 1.00 0.00 C ATOM 202 O CYS A 14 -6.034 4.047 6.762 1.00 0.00 O ATOM 203 CB CYS A 14 -6.207 6.850 4.725 1.00 0.00 C ATOM 204 SG CYS A 14 -4.758 6.137 3.917 1.00 0.00 S ATOM 0 H CYS A 14 -4.453 6.019 6.740 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.283 6.828 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.092 6.630 4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.102 7.935 4.751 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.001 5.567 4.807 1.00 0.00 H new ATOM 210 N LEU A 15 -7.721 4.490 5.338 1.00 0.00 N ATOM 211 CA LEU A 15 -8.100 3.108 5.146 1.00 0.00 C ATOM 212 C LEU A 15 -7.846 2.781 3.696 1.00 0.00 C ATOM 213 O LEU A 15 -8.022 3.634 2.834 1.00 0.00 O ATOM 214 CB LEU A 15 -9.573 2.874 5.489 1.00 0.00 C ATOM 215 CG LEU A 15 -9.895 2.759 6.981 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.317 2.262 7.174 1.00 0.00 C ATOM 217 CD2 LEU A 15 -8.923 1.827 7.681 1.00 0.00 C ATOM 0 H LEU A 15 -8.304 5.155 4.830 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.518 2.467 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.159 3.693 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.902 1.961 4.993 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.797 3.750 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.534 2.184 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.013 2.962 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.426 1.282 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.176 1.765 8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.985 0.835 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.909 2.211 7.573 1.00 0.00 H new ATOM 229 N ALA A 16 -7.435 1.574 3.413 1.00 0.00 N ATOM 230 CA ALA A 16 -7.148 1.213 2.047 1.00 0.00 C ATOM 231 C ALA A 16 -7.674 -0.169 1.762 1.00 0.00 C ATOM 232 O ALA A 16 -7.638 -1.052 2.622 1.00 0.00 O ATOM 233 CB ALA A 16 -5.660 1.338 1.759 1.00 0.00 C ATOM 0 H ALA A 16 -7.292 0.832 4.098 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.656 1.904 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.465 1.061 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.342 2.367 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.104 0.675 2.422 1.00 0.00 H new ATOM 239 N PHE A 17 -8.199 -0.342 0.569 1.00 0.00 N ATOM 240 CA PHE A 17 -8.778 -1.604 0.179 1.00 0.00 C ATOM 241 C PHE A 17 -7.734 -2.604 -0.271 1.00 0.00 C ATOM 242 O PHE A 17 -7.175 -2.494 -1.363 1.00 0.00 O ATOM 243 CB PHE A 17 -9.811 -1.396 -0.925 1.00 0.00 C ATOM 244 CG PHE A 17 -11.193 -1.131 -0.403 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.723 0.149 -0.413 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.963 -2.169 0.091 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.999 0.387 0.059 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.239 -1.936 0.568 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.758 -0.655 0.550 1.00 0.00 C ATOM 0 H PHE A 17 -8.236 0.381 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.266 -2.017 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.500 -0.560 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.834 -2.280 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.132 0.969 -0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.563 -3.172 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.402 1.389 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.830 -2.754 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.756 -0.470 0.920 1.00 0.00 H new ATOM 259 N HIS A 18 -7.452 -3.553 0.597 1.00 0.00 N ATOM 260 CA HIS A 18 -6.535 -4.625 0.291 1.00 0.00 C ATOM 261 C HIS A 18 -7.401 -5.828 -0.019 1.00 0.00 C ATOM 262 O HIS A 18 -7.957 -6.457 0.888 1.00 0.00 O ATOM 263 CB HIS A 18 -5.590 -4.917 1.459 1.00 0.00 C ATOM 264 CG HIS A 18 -4.476 -5.862 1.112 1.00 0.00 C ATOM 265 ND1 HIS A 18 -4.629 -7.226 1.211 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.227 -5.591 0.664 1.00 0.00 C ATOM 267 CE1 HIS A 18 -3.478 -7.747 0.823 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.599 -6.796 0.482 1.00 0.00 N ATOM 0 H HIS A 18 -7.853 -3.601 1.534 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.892 -4.361 -0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.162 -3.979 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.166 -5.335 2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.806 -4.613 0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.272 -8.807 0.786 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.645 -6.940 0.150 1.00 0.00 H new ATOM 276 N GLY A 19 -7.555 -6.121 -1.296 1.00 0.00 N ATOM 277 CA GLY A 19 -8.416 -7.206 -1.690 1.00 0.00 C ATOM 278 C GLY A 19 -9.866 -6.810 -1.501 1.00 0.00 C ATOM 279 O GLY A 19 -10.354 -5.914 -2.192 1.00 0.00 O ATOM 0 H GLY A 19 -7.100 -5.628 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.234 -7.466 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.192 -8.093 -1.097 1.00 0.00 H new ATOM 283 N PRO A 20 -10.591 -7.459 -0.582 1.00 0.00 N ATOM 284 CA PRO A 20 -11.979 -7.143 -0.311 1.00 0.00 C ATOM 285 C PRO A 20 -12.205 -6.287 0.934 1.00 0.00 C ATOM 286 O PRO A 20 -13.333 -5.867 1.186 1.00 0.00 O ATOM 287 CB PRO A 20 -12.578 -8.523 -0.069 1.00 0.00 C ATOM 288 CG PRO A 20 -11.439 -9.403 0.366 1.00 0.00 C ATOM 289 CD PRO A 20 -10.162 -8.613 0.208 1.00 0.00 C ATOM 0 HA PRO A 20 -12.410 -6.560 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.353 -8.482 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.045 -8.909 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.570 -9.714 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.405 -10.310 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.750 -8.313 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.391 -9.189 -0.303 1.00 0.00 H new ATOM 297 N LEU A 21 -11.162 -6.005 1.716 1.00 0.00 N ATOM 298 CA LEU A 21 -11.375 -5.248 2.946 1.00 0.00 C ATOM 299 C LEU A 21 -10.563 -3.971 3.065 1.00 0.00 C ATOM 300 O LEU A 21 -9.571 -3.759 2.371 1.00 0.00 O ATOM 301 CB LEU A 21 -11.103 -6.125 4.166 1.00 0.00 C ATOM 302 CG LEU A 21 -12.236 -7.081 4.536 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.130 -7.498 5.985 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.588 -6.440 4.290 1.00 0.00 C ATOM 0 H LEU A 21 -10.197 -6.278 1.529 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.420 -4.942 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.201 -6.708 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.898 -5.480 5.020 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.145 -7.964 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.946 -8.179 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.177 -8.000 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.191 -6.616 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.378 -7.141 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.679 -5.539 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.681 -6.179 3.236 1.00 0.00 H new ATOM 316 N MET A 22 -11.024 -3.134 3.988 1.00 0.00 N ATOM 317 CA MET A 22 -10.408 -1.857 4.296 1.00 0.00 C ATOM 318 C MET A 22 -9.478 -2.006 5.492 1.00 0.00 C ATOM 319 O MET A 22 -9.924 -2.303 6.600 1.00 0.00 O ATOM 320 CB MET A 22 -11.491 -0.815 4.611 1.00 0.00 C ATOM 321 CG MET A 22 -11.533 0.326 3.608 1.00 0.00 C ATOM 322 SD MET A 22 -12.788 1.560 4.001 1.00 0.00 S ATOM 323 CE MET A 22 -14.288 0.604 3.789 1.00 0.00 C ATOM 0 H MET A 22 -11.851 -3.331 4.551 1.00 0.00 H new ATOM 0 HA MET A 22 -9.832 -1.525 3.432 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.464 -1.307 4.633 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.316 -0.408 5.607 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.556 0.808 3.572 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.726 -0.078 2.614 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.002 1.174 3.195 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.055 -0.330 3.278 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.721 0.386 4.765 1.00 0.00 H new ATOM 333 N TYR A 23 -8.194 -1.805 5.270 1.00 0.00 N ATOM 334 CA TYR A 23 -7.211 -1.928 6.336 1.00 0.00 C ATOM 335 C TYR A 23 -6.622 -0.572 6.679 1.00 0.00 C ATOM 336 O TYR A 23 -6.499 0.294 5.807 1.00 0.00 O ATOM 337 CB TYR A 23 -6.095 -2.888 5.922 1.00 0.00 C ATOM 338 CG TYR A 23 -6.554 -4.314 5.751 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.978 -4.783 4.516 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.558 -5.193 6.824 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.394 -6.091 4.354 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.972 -6.500 6.671 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.388 -6.945 5.435 1.00 0.00 C ATOM 344 OH TYR A 23 -7.788 -8.251 5.275 1.00 0.00 O ATOM 0 H TYR A 23 -7.804 -1.555 4.361 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.713 -2.325 7.218 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.659 -2.541 4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.305 -2.858 6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.983 -4.115 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.232 -4.849 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.722 -6.441 3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.970 -7.172 7.517 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.724 -8.720 6.133 1.00 0.00 H new ATOM 354 N GLU A 24 -6.282 -0.378 7.949 1.00 0.00 N ATOM 355 CA GLU A 24 -5.695 0.875 8.392 1.00 0.00 C ATOM 356 C GLU A 24 -4.300 1.008 7.819 1.00 0.00 C ATOM 357 O GLU A 24 -3.529 0.052 7.825 1.00 0.00 O ATOM 358 CB GLU A 24 -5.628 0.944 9.917 1.00 0.00 C ATOM 359 CG GLU A 24 -6.985 0.927 10.590 1.00 0.00 C ATOM 360 CD GLU A 24 -7.123 -0.205 11.580 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.309 -1.357 11.139 1.00 0.00 O ATOM 362 OE2 GLU A 24 -7.059 0.055 12.799 1.00 0.00 O ATOM 0 H GLU A 24 -6.404 -1.073 8.686 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.324 1.692 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.040 0.103 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.100 1.852 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.145 1.876 11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.763 0.839 9.831 1.00 0.00 H new ATOM 369 N ALA A 25 -3.971 2.183 7.321 1.00 0.00 N ATOM 370 CA ALA A 25 -2.661 2.394 6.740 1.00 0.00 C ATOM 371 C ALA A 25 -2.207 3.840 6.845 1.00 0.00 C ATOM 372 O ALA A 25 -2.979 4.771 6.605 1.00 0.00 O ATOM 373 CB ALA A 25 -2.664 1.953 5.291 1.00 0.00 C ATOM 0 H ALA A 25 -4.585 2.998 7.307 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.951 1.793 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.676 2.114 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.917 0.894 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.401 2.533 4.736 1.00 0.00 H new ATOM 379 N LYS A 26 -0.948 4.012 7.226 1.00 0.00 N ATOM 380 CA LYS A 26 -0.349 5.332 7.331 1.00 0.00 C ATOM 381 C LYS A 26 0.472 5.593 6.078 1.00 0.00 C ATOM 382 O LYS A 26 1.411 4.851 5.775 1.00 0.00 O ATOM 383 CB LYS A 26 0.523 5.431 8.587 1.00 0.00 C ATOM 384 CG LYS A 26 1.189 6.786 8.767 1.00 0.00 C ATOM 385 CD LYS A 26 1.510 7.055 10.227 1.00 0.00 C ATOM 386 CE LYS A 26 2.409 8.271 10.392 1.00 0.00 C ATOM 387 NZ LYS A 26 2.348 8.836 11.766 1.00 0.00 N ATOM 0 H LYS A 26 -0.319 3.246 7.469 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.131 6.086 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.092 5.220 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.293 4.661 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.106 6.824 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.533 7.569 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.584 7.210 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.997 6.181 10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.437 7.994 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.116 9.037 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.977 9.662 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.372 9.126 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.652 8.116 12.451 1.00 0.00 H new ATOM 401 N ILE A 27 0.089 6.616 5.334 1.00 0.00 N ATOM 402 CA ILE A 27 0.776 6.960 4.099 1.00 0.00 C ATOM 403 C ILE A 27 2.153 7.507 4.379 1.00 0.00 C ATOM 404 O ILE A 27 2.318 8.607 4.900 1.00 0.00 O ATOM 405 CB ILE A 27 -0.045 7.952 3.256 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.482 7.442 3.092 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.610 8.134 1.901 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.525 8.532 2.974 1.00 0.00 C ATOM 0 H ILE A 27 -0.696 7.225 5.564 1.00 0.00 H new ATOM 0 HA ILE A 27 0.886 6.043 3.520 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.077 8.915 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.531 6.812 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.730 6.810 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.027 8.837 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.620 8.522 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.655 7.174 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.511 8.081 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.509 9.150 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.307 9.151 2.104 1.00 0.00 H new ATOM 420 N LEU A 28 3.133 6.707 4.007 1.00 0.00 N ATOM 421 CA LEU A 28 4.522 7.027 4.212 1.00 0.00 C ATOM 422 C LEU A 28 5.097 7.798 3.034 1.00 0.00 C ATOM 423 O LEU A 28 6.109 8.493 3.163 1.00 0.00 O ATOM 424 CB LEU A 28 5.300 5.741 4.402 1.00 0.00 C ATOM 425 CG LEU A 28 6.747 5.942 4.808 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.850 6.363 6.265 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.558 4.683 4.552 1.00 0.00 C ATOM 0 H LEU A 28 2.980 5.808 3.550 1.00 0.00 H new ATOM 0 HA LEU A 28 4.604 7.658 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.802 5.138 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.271 5.172 3.473 1.00 0.00 H new ATOM 0 HG LEU A 28 7.160 6.744 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.898 6.501 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.312 7.300 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.413 5.591 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.593 4.850 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.142 3.858 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.522 4.436 3.491 1.00 0.00 H new ATOM 439 N LYS A 29 4.492 7.642 1.870 1.00 0.00 N ATOM 440 CA LYS A 29 4.966 8.345 0.696 1.00 0.00 C ATOM 441 C LYS A 29 3.808 8.733 -0.210 1.00 0.00 C ATOM 442 O LYS A 29 2.903 7.942 -0.447 1.00 0.00 O ATOM 443 CB LYS A 29 5.940 7.493 -0.128 1.00 0.00 C ATOM 444 CG LYS A 29 6.993 6.764 0.682 1.00 0.00 C ATOM 445 CD LYS A 29 7.893 5.923 -0.210 1.00 0.00 C ATOM 446 CE LYS A 29 8.930 5.176 0.607 1.00 0.00 C ATOM 447 NZ LYS A 29 9.563 4.075 -0.170 1.00 0.00 N ATOM 0 H LYS A 29 3.682 7.042 1.715 1.00 0.00 H new ATOM 0 HA LYS A 29 5.480 9.234 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.367 6.760 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.440 8.137 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.596 7.486 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.509 6.124 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.289 5.212 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.392 6.565 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.699 5.873 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.461 4.766 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.783 3.283 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.909 3.752 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.440 4.420 -0.609 1.00 0.00 H new ATOM 461 N ILE A 30 3.854 9.947 -0.703 1.00 0.00 N ATOM 462 CA ILE A 30 2.843 10.462 -1.628 1.00 0.00 C ATOM 463 C ILE A 30 3.370 10.311 -3.041 1.00 0.00 C ATOM 464 O ILE A 30 4.571 10.278 -3.225 1.00 0.00 O ATOM 465 CB ILE A 30 2.521 11.953 -1.359 1.00 0.00 C ATOM 466 CG1 ILE A 30 2.259 12.184 0.125 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.330 12.405 -2.184 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.375 11.131 0.735 1.00 0.00 C ATOM 0 H ILE A 30 4.591 10.616 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 30 1.923 9.895 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 30 3.386 12.546 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.210 12.206 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.796 13.162 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.123 13.455 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.553 12.280 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.458 11.805 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.225 11.350 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.411 11.125 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.847 10.154 0.630 1.00 0.00 H new ATOM 480 N TRP A 31 2.506 10.212 -4.037 1.00 0.00 N ATOM 481 CA TRP A 31 2.981 10.045 -5.396 1.00 0.00 C ATOM 482 C TRP A 31 2.331 11.005 -6.380 1.00 0.00 C ATOM 483 O TRP A 31 1.098 11.043 -6.498 1.00 0.00 O ATOM 484 CB TRP A 31 2.706 8.642 -5.882 1.00 0.00 C ATOM 485 CG TRP A 31 3.035 8.488 -7.321 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.183 8.527 -8.379 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.325 8.332 -7.849 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.881 8.360 -9.549 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.204 8.234 -9.242 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.571 8.247 -7.265 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.298 8.059 -10.060 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.661 8.078 -8.074 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.517 7.978 -9.462 1.00 0.00 C ATOM 0 H TRP A 31 1.492 10.244 -3.933 1.00 0.00 H new ATOM 0 HA TRP A 31 4.050 10.253 -5.360 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.291 7.932 -5.297 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.656 8.400 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.115 8.668 -8.309 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.480 8.335 -10.486 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.684 8.312 -6.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.192 7.989 -11.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.646 8.021 -7.635 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.395 7.833 -10.074 1.00 0.00 H new ATOM 504 N ASP A 32 3.173 11.707 -7.135 1.00 0.00 N ATOM 505 CA ASP A 32 2.720 12.642 -8.154 1.00 0.00 C ATOM 506 C ASP A 32 2.948 12.022 -9.534 1.00 0.00 C ATOM 507 O ASP A 32 4.086 11.773 -9.929 1.00 0.00 O ATOM 508 CB ASP A 32 3.470 13.964 -8.043 1.00 0.00 C ATOM 509 CG ASP A 32 2.905 15.012 -8.974 1.00 0.00 C ATOM 510 OD1 ASP A 32 3.343 15.071 -10.141 1.00 0.00 O ATOM 511 OD2 ASP A 32 2.017 15.777 -8.544 1.00 0.00 O ATOM 0 H ASP A 32 4.188 11.641 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 32 1.658 12.843 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.419 14.325 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.523 13.804 -8.273 1.00 0.00 H new ATOM 516 N PRO A 33 1.866 11.779 -10.286 1.00 0.00 N ATOM 517 CA PRO A 33 1.925 11.141 -11.611 1.00 0.00 C ATOM 518 C PRO A 33 2.433 12.050 -12.724 1.00 0.00 C ATOM 519 O PRO A 33 2.806 11.581 -13.802 1.00 0.00 O ATOM 520 CB PRO A 33 0.464 10.765 -11.897 1.00 0.00 C ATOM 521 CG PRO A 33 -0.300 11.075 -10.651 1.00 0.00 C ATOM 522 CD PRO A 33 0.489 12.110 -9.912 1.00 0.00 C ATOM 0 HA PRO A 33 2.625 10.306 -11.594 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.075 11.332 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.377 9.709 -12.154 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.297 11.445 -10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.430 10.180 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.217 13.121 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.334 12.047 -8.835 1.00 0.00 H new ATOM 530 N SER A 34 2.461 13.338 -12.461 1.00 0.00 N ATOM 531 CA SER A 34 2.887 14.306 -13.464 1.00 0.00 C ATOM 532 C SER A 34 4.393 14.527 -13.422 1.00 0.00 C ATOM 533 O SER A 34 5.016 14.818 -14.442 1.00 0.00 O ATOM 534 CB SER A 34 2.152 15.629 -13.257 1.00 0.00 C ATOM 535 OG SER A 34 0.943 15.429 -12.542 1.00 0.00 O ATOM 0 H SER A 34 2.195 13.745 -11.564 1.00 0.00 H new ATOM 0 HA SER A 34 2.638 13.905 -14.447 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.791 16.323 -12.712 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.937 16.085 -14.223 1.00 0.00 H new ATOM 0 HG SER A 34 0.490 16.289 -12.419 1.00 0.00 H new ATOM 541 N SER A 35 4.979 14.357 -12.251 1.00 0.00 N ATOM 542 CA SER A 35 6.403 14.558 -12.082 1.00 0.00 C ATOM 543 C SER A 35 7.092 13.209 -12.063 1.00 0.00 C ATOM 544 O SER A 35 8.241 13.070 -12.483 1.00 0.00 O ATOM 545 CB SER A 35 6.663 15.319 -10.784 1.00 0.00 C ATOM 546 OG SER A 35 5.702 16.351 -10.600 1.00 0.00 O ATOM 0 H SER A 35 4.487 14.079 -11.402 1.00 0.00 H new ATOM 0 HA SER A 35 6.800 15.147 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.628 14.630 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.665 15.748 -10.804 1.00 0.00 H new ATOM 0 HG SER A 35 4.820 15.953 -10.447 1.00 0.00 H new ATOM 552 N LYS A 36 6.362 12.231 -11.535 1.00 0.00 N ATOM 553 CA LYS A 36 6.799 10.856 -11.445 1.00 0.00 C ATOM 554 C LYS A 36 7.813 10.731 -10.340 1.00 0.00 C ATOM 555 O LYS A 36 8.755 9.934 -10.368 1.00 0.00 O ATOM 556 CB LYS A 36 7.309 10.306 -12.761 1.00 0.00 C ATOM 557 CG LYS A 36 7.312 8.805 -12.740 1.00 0.00 C ATOM 558 CD LYS A 36 7.967 8.212 -13.974 1.00 0.00 C ATOM 559 CE LYS A 36 8.570 6.852 -13.676 1.00 0.00 C ATOM 560 NZ LYS A 36 9.301 6.303 -14.843 1.00 0.00 N ATOM 0 H LYS A 36 5.430 12.384 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 36 5.933 10.239 -11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.682 10.662 -13.578 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.317 10.675 -12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.837 8.458 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.286 8.443 -12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.229 8.119 -14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.744 8.886 -14.336 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.250 6.934 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.779 6.160 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.698 5.373 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.647 6.200 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.072 6.950 -15.106 1.00 0.00 H new ATOM 574 N MET A 37 7.579 11.566 -9.374 1.00 0.00 N ATOM 575 CA MET A 37 8.323 11.628 -8.183 1.00 0.00 C ATOM 576 C MET A 37 7.326 11.308 -7.100 1.00 0.00 C ATOM 577 O MET A 37 6.123 11.245 -7.358 1.00 0.00 O ATOM 578 CB MET A 37 8.902 13.027 -7.971 1.00 0.00 C ATOM 579 CG MET A 37 9.603 13.611 -9.186 1.00 0.00 C ATOM 580 SD MET A 37 9.738 15.406 -9.098 1.00 0.00 S ATOM 581 CE MET A 37 10.606 15.760 -10.620 1.00 0.00 C ATOM 0 H MET A 37 6.824 12.250 -9.411 1.00 0.00 H new ATOM 0 HA MET A 37 9.170 10.942 -8.194 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.096 13.699 -7.675 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.609 12.992 -7.142 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.599 13.177 -9.272 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.056 13.333 -10.087 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.763 16.835 -10.707 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.570 15.251 -10.616 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.015 15.410 -11.466 1.00 0.00 H new ATOM 591 N TYR A 38 7.794 11.155 -5.912 1.00 0.00 N ATOM 592 CA TYR A 38 6.939 10.828 -4.812 1.00 0.00 C ATOM 593 C TYR A 38 7.450 11.580 -3.605 1.00 0.00 C ATOM 594 O TYR A 38 8.638 11.915 -3.542 1.00 0.00 O ATOM 595 CB TYR A 38 6.910 9.315 -4.562 1.00 0.00 C ATOM 596 CG TYR A 38 8.243 8.698 -4.239 1.00 0.00 C ATOM 597 CD1 TYR A 38 9.121 8.331 -5.246 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.614 8.467 -2.926 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.334 7.754 -4.951 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.825 7.891 -2.618 1.00 0.00 C ATOM 601 CZ TYR A 38 10.686 7.535 -3.635 1.00 0.00 C ATOM 602 OH TYR A 38 11.895 6.949 -3.336 1.00 0.00 O ATOM 0 H TYR A 38 8.780 11.252 -5.669 1.00 0.00 H new ATOM 0 HA TYR A 38 5.911 11.120 -5.028 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.224 9.111 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.504 8.824 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.849 8.500 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.941 8.744 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.008 7.473 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.099 7.719 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 38 11.741 6.103 -2.866 1.00 0.00 H new ATOM 612 N THR A 39 6.593 11.865 -2.660 1.00 0.00 N ATOM 613 CA THR A 39 7.032 12.591 -1.502 1.00 0.00 C ATOM 614 C THR A 39 6.855 11.756 -0.253 1.00 0.00 C ATOM 615 O THR A 39 5.744 11.517 0.216 1.00 0.00 O ATOM 616 CB THR A 39 6.322 13.944 -1.368 1.00 0.00 C ATOM 617 OG1 THR A 39 4.979 13.779 -0.895 1.00 0.00 O ATOM 618 CG2 THR A 39 6.300 14.678 -2.697 1.00 0.00 C ATOM 0 H THR A 39 5.605 11.610 -2.669 1.00 0.00 H new ATOM 0 HA THR A 39 8.094 12.802 -1.629 1.00 0.00 H new ATOM 0 HB THR A 39 6.882 14.533 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.915 12.951 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.791 15.634 -2.576 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.322 14.851 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.771 14.077 -3.436 1.00 0.00 H new ATOM 626 N SER A 40 7.968 11.322 0.277 1.00 0.00 N ATOM 627 CA SER A 40 7.981 10.481 1.447 1.00 0.00 C ATOM 628 C SER A 40 8.077 11.320 2.713 1.00 0.00 C ATOM 629 O SER A 40 8.111 12.549 2.665 1.00 0.00 O ATOM 630 CB SER A 40 9.161 9.506 1.365 1.00 0.00 C ATOM 631 OG SER A 40 9.014 8.428 2.277 1.00 0.00 O ATOM 0 H SER A 40 8.894 11.542 -0.091 1.00 0.00 H new ATOM 0 HA SER A 40 7.049 9.917 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.241 9.116 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.088 10.038 1.577 1.00 0.00 H new ATOM 0 HG SER A 40 9.782 7.825 2.197 1.00 0.00 H new ATOM 637 N ILE A 41 8.082 10.645 3.838 1.00 0.00 N ATOM 638 CA ILE A 41 8.191 11.310 5.125 1.00 0.00 C ATOM 639 C ILE A 41 9.124 10.541 6.053 1.00 0.00 C ATOM 640 O ILE A 41 9.042 9.317 6.159 1.00 0.00 O ATOM 641 CB ILE A 41 6.827 11.488 5.831 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.733 10.656 5.174 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.432 12.950 5.873 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.986 9.788 6.164 1.00 0.00 C ATOM 0 H ILE A 41 8.012 9.629 3.893 1.00 0.00 H new ATOM 0 HA ILE A 41 8.594 12.301 4.915 1.00 0.00 H new ATOM 0 HB ILE A 41 6.942 11.127 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.028 11.320 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.176 10.024 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.469 13.053 6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.187 13.515 6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.355 13.335 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.219 9.217 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.683 9.102 6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.517 10.419 6.920 1.00 0.00 H new ATOM 656 N PRO A 42 10.046 11.251 6.718 1.00 0.00 N ATOM 657 CA PRO A 42 10.986 10.638 7.641 1.00 0.00 C ATOM 658 C PRO A 42 10.387 10.484 9.036 1.00 0.00 C ATOM 659 O PRO A 42 10.089 11.472 9.709 1.00 0.00 O ATOM 660 CB PRO A 42 12.144 11.633 7.646 1.00 0.00 C ATOM 661 CG PRO A 42 11.512 12.963 7.393 1.00 0.00 C ATOM 662 CD PRO A 42 10.242 12.709 6.617 1.00 0.00 C ATOM 0 HA PRO A 42 11.277 9.629 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.670 11.621 8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.876 11.391 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.295 13.471 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.185 13.609 6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.399 13.255 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.338 13.028 5.579 1.00 0.00 H new ATOM 670 N ASN A 43 10.216 9.239 9.463 1.00 0.00 N ATOM 671 CA ASN A 43 9.648 8.952 10.777 1.00 0.00 C ATOM 672 C ASN A 43 9.691 7.462 11.076 1.00 0.00 C ATOM 673 O ASN A 43 10.213 7.041 12.109 1.00 0.00 O ATOM 674 CB ASN A 43 8.195 9.435 10.861 1.00 0.00 C ATOM 675 CG ASN A 43 7.571 9.188 12.225 1.00 0.00 C ATOM 676 OD1 ASN A 43 7.714 9.997 13.140 1.00 0.00 O ATOM 677 ND2 ASN A 43 6.871 8.071 12.371 1.00 0.00 N ATOM 0 H ASN A 43 10.462 8.411 8.920 1.00 0.00 H new ATOM 0 HA ASN A 43 10.250 9.484 11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.158 10.501 10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.604 8.928 10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.429 7.859 13.266 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.774 7.424 11.589 1.00 0.00 H new ATOM 684 N ASP A 44 9.142 6.666 10.163 1.00 0.00 N ATOM 685 CA ASP A 44 9.092 5.218 10.345 1.00 0.00 C ATOM 686 C ASP A 44 10.394 4.540 9.941 1.00 0.00 C ATOM 687 O ASP A 44 10.751 3.513 10.509 1.00 0.00 O ATOM 688 CB ASP A 44 7.917 4.613 9.569 1.00 0.00 C ATOM 689 CG ASP A 44 6.902 3.961 10.490 1.00 0.00 C ATOM 690 OD1 ASP A 44 6.436 4.640 11.430 1.00 0.00 O ATOM 691 OD2 ASP A 44 6.565 2.778 10.281 1.00 0.00 O ATOM 0 H ASP A 44 8.727 6.997 9.292 1.00 0.00 H new ATOM 0 HA ASP A 44 8.946 5.038 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.428 5.393 8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.292 3.873 8.862 1.00 0.00 H new ATOM 696 N LYS A 45 11.107 5.109 8.970 1.00 0.00 N ATOM 697 CA LYS A 45 12.367 4.523 8.516 1.00 0.00 C ATOM 698 C LYS A 45 13.447 4.662 9.594 1.00 0.00 C ATOM 699 O LYS A 45 13.897 5.765 9.906 1.00 0.00 O ATOM 700 CB LYS A 45 12.821 5.154 7.187 1.00 0.00 C ATOM 701 CG LYS A 45 13.008 6.668 7.223 1.00 0.00 C ATOM 702 CD LYS A 45 12.743 7.296 5.861 1.00 0.00 C ATOM 703 CE LYS A 45 13.728 8.407 5.532 1.00 0.00 C ATOM 704 NZ LYS A 45 14.830 7.940 4.646 1.00 0.00 N ATOM 0 H LYS A 45 10.837 5.966 8.487 1.00 0.00 H new ATOM 0 HA LYS A 45 12.204 3.460 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.762 4.694 6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.088 4.912 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.334 7.101 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.024 6.903 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.799 6.526 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.729 7.695 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.198 9.228 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.150 8.801 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.203 8.744 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.591 7.530 5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.467 7.219 3.991 1.00 0.00 H new ATOM 718 N PRO A 46 13.879 3.530 10.174 1.00 0.00 N ATOM 719 CA PRO A 46 14.878 3.500 11.234 1.00 0.00 C ATOM 720 C PRO A 46 16.301 3.398 10.699 1.00 0.00 C ATOM 721 O PRO A 46 17.028 2.451 11.004 1.00 0.00 O ATOM 722 CB PRO A 46 14.510 2.235 12.025 1.00 0.00 C ATOM 723 CG PRO A 46 13.564 1.448 11.160 1.00 0.00 C ATOM 724 CD PRO A 46 13.438 2.174 9.844 1.00 0.00 C ATOM 0 HA PRO A 46 14.869 4.414 11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.400 1.650 12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.042 2.494 12.975 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.939 0.436 11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.590 1.357 11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.062 1.723 9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.413 2.162 9.473 1.00 0.00 H new ATOM 732 N GLY A 47 16.697 4.380 9.905 1.00 0.00 N ATOM 733 CA GLY A 47 18.030 4.382 9.342 1.00 0.00 C ATOM 734 C GLY A 47 18.013 4.252 7.837 1.00 0.00 C ATOM 735 O GLY A 47 19.025 4.492 7.176 1.00 0.00 O ATOM 0 H GLY A 47 16.118 5.177 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.539 5.305 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.605 3.560 9.770 1.00 0.00 H new ATOM 739 N GLY A 48 16.862 3.860 7.301 1.00 0.00 N ATOM 740 CA GLY A 48 16.716 3.717 5.866 1.00 0.00 C ATOM 741 C GLY A 48 16.953 5.026 5.144 1.00 0.00 C ATOM 742 O GLY A 48 16.508 6.081 5.613 1.00 0.00 O ATOM 0 H GLY A 48 16.024 3.638 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.420 2.968 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.715 3.352 5.637 1.00 0.00 H new ATOM 746 N SER A 49 17.631 4.950 3.995 1.00 0.00 N ATOM 747 CA SER A 49 17.974 6.126 3.191 1.00 0.00 C ATOM 748 C SER A 49 18.606 7.208 4.074 1.00 0.00 C ATOM 749 O SER A 49 17.997 8.246 4.338 1.00 0.00 O ATOM 750 CB SER A 49 16.747 6.677 2.446 1.00 0.00 C ATOM 751 OG SER A 49 15.566 5.949 2.750 1.00 0.00 O ATOM 0 H SER A 49 17.958 4.070 3.596 1.00 0.00 H new ATOM 0 HA SER A 49 18.701 5.819 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.604 7.725 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.929 6.640 1.372 1.00 0.00 H new ATOM 0 HG SER A 49 14.847 6.224 2.144 1.00 0.00 H new ATOM 757 N SER A 50 19.827 6.927 4.532 1.00 0.00 N ATOM 758 CA SER A 50 20.581 7.815 5.416 1.00 0.00 C ATOM 759 C SER A 50 20.636 9.259 4.912 1.00 0.00 C ATOM 760 O SER A 50 20.227 10.181 5.615 1.00 0.00 O ATOM 761 CB SER A 50 21.996 7.268 5.591 1.00 0.00 C ATOM 762 OG SER A 50 21.992 5.849 5.578 1.00 0.00 O ATOM 0 H SER A 50 20.324 6.068 4.297 1.00 0.00 H new ATOM 0 HA SER A 50 20.059 7.841 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 50 22.637 7.642 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 50 22.416 7.627 6.531 1.00 0.00 H new ATOM 0 HG SER A 50 22.908 5.518 5.690 1.00 0.00 H new ATOM 768 N GLN A 51 21.136 9.462 3.697 1.00 0.00 N ATOM 769 CA GLN A 51 21.233 10.810 3.146 1.00 0.00 C ATOM 770 C GLN A 51 19.956 11.187 2.404 1.00 0.00 C ATOM 771 O GLN A 51 19.987 11.846 1.366 1.00 0.00 O ATOM 772 CB GLN A 51 22.461 10.953 2.242 1.00 0.00 C ATOM 773 CG GLN A 51 22.608 9.859 1.191 1.00 0.00 C ATOM 774 CD GLN A 51 23.926 9.957 0.444 1.00 0.00 C ATOM 775 OE1 GLN A 51 24.479 11.044 0.274 1.00 0.00 O ATOM 776 NE2 GLN A 51 24.441 8.824 -0.013 1.00 0.00 N ATOM 0 H GLN A 51 21.476 8.722 3.082 1.00 0.00 H new ATOM 0 HA GLN A 51 21.355 11.503 3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.414 11.918 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 51 23.355 10.962 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 51 22.536 8.883 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 51 21.784 9.926 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.955 7.942 0.147 1.00 0.00 H new ATOM 0 HE22 GLN A 51 25.324 8.835 -0.524 1.00 0.00 H new ATOM 785 N ALA A 52 18.831 10.765 2.961 1.00 0.00 N ATOM 786 CA ALA A 52 17.527 11.053 2.395 1.00 0.00 C ATOM 787 C ALA A 52 16.495 11.135 3.513 1.00 0.00 C ATOM 788 O ALA A 52 15.448 10.481 3.474 1.00 0.00 O ATOM 789 CB ALA A 52 17.133 9.996 1.375 1.00 0.00 C ATOM 0 H ALA A 52 18.799 10.213 3.818 1.00 0.00 H new ATOM 0 HA ALA A 52 17.570 12.011 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.152 10.234 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 52 17.868 9.976 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.097 9.020 1.858 1.00 0.00 H new ATOM 795 N THR A 53 16.825 11.904 4.538 1.00 0.00 N ATOM 796 CA THR A 53 15.936 12.090 5.670 1.00 0.00 C ATOM 797 C THR A 53 15.710 13.575 5.910 1.00 0.00 C ATOM 798 O THR A 53 16.485 14.405 5.429 1.00 0.00 O ATOM 799 CB THR A 53 16.489 11.447 6.960 1.00 0.00 C ATOM 800 OG1 THR A 53 17.724 12.063 7.340 1.00 0.00 O ATOM 801 CG2 THR A 53 16.706 9.957 6.775 1.00 0.00 C ATOM 0 H THR A 53 17.707 12.411 4.608 1.00 0.00 H new ATOM 0 HA THR A 53 14.995 11.596 5.426 1.00 0.00 H new ATOM 0 HB THR A 53 15.752 11.601 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.059 11.645 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.096 9.529 7.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.758 9.480 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.420 9.791 5.968 1.00 0.00 H new ATOM 809 N LYS A 54 14.643 13.891 6.646 1.00 0.00 N ATOM 810 CA LYS A 54 14.274 15.270 6.972 1.00 0.00 C ATOM 811 C LYS A 54 13.819 16.037 5.727 1.00 0.00 C ATOM 812 O LYS A 54 12.658 16.432 5.625 1.00 0.00 O ATOM 813 CB LYS A 54 15.428 16.010 7.657 1.00 0.00 C ATOM 814 CG LYS A 54 14.980 17.264 8.393 1.00 0.00 C ATOM 815 CD LYS A 54 16.158 18.096 8.876 1.00 0.00 C ATOM 816 CE LYS A 54 15.687 19.335 9.622 1.00 0.00 C ATOM 817 NZ LYS A 54 16.821 20.194 10.058 1.00 0.00 N ATOM 0 H LYS A 54 14.007 13.194 7.035 1.00 0.00 H new ATOM 0 HA LYS A 54 13.437 15.220 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.916 15.337 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.173 16.282 6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.357 17.868 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.362 16.982 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.789 17.493 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.771 18.392 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.022 19.913 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.106 19.033 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.453 21.026 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.443 19.653 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.361 20.505 9.225 1.00 0.00 H new ATOM 831 N GLU A 55 14.729 16.217 4.781 1.00 0.00 N ATOM 832 CA GLU A 55 14.432 16.938 3.553 1.00 0.00 C ATOM 833 C GLU A 55 13.925 15.994 2.479 1.00 0.00 C ATOM 834 O GLU A 55 14.701 15.435 1.702 1.00 0.00 O ATOM 835 CB GLU A 55 15.673 17.673 3.043 1.00 0.00 C ATOM 836 CG GLU A 55 16.248 18.678 4.028 1.00 0.00 C ATOM 837 CD GLU A 55 17.213 19.635 3.367 1.00 0.00 C ATOM 838 OE1 GLU A 55 16.767 20.700 2.892 1.00 0.00 O ATOM 839 OE2 GLU A 55 18.423 19.337 3.325 1.00 0.00 O ATOM 0 H GLU A 55 15.686 15.870 4.842 1.00 0.00 H new ATOM 0 HA GLU A 55 13.653 17.667 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.441 16.940 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.421 18.191 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.435 19.242 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.758 18.146 4.831 1.00 0.00 H new ATOM 846 N ILE A 56 12.623 15.802 2.442 1.00 0.00 N ATOM 847 CA ILE A 56 12.038 14.937 1.444 1.00 0.00 C ATOM 848 C ILE A 56 11.454 15.749 0.309 1.00 0.00 C ATOM 849 O ILE A 56 10.316 16.213 0.367 1.00 0.00 O ATOM 850 CB ILE A 56 10.952 14.017 2.011 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.488 13.200 3.199 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.453 13.103 0.899 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.581 12.219 2.826 1.00 0.00 C ATOM 0 H ILE A 56 11.957 16.229 3.085 1.00 0.00 H new ATOM 0 HA ILE A 56 12.849 14.308 1.079 1.00 0.00 H new ATOM 0 HB ILE A 56 10.123 14.619 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.871 13.885 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.662 12.653 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.679 12.443 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.041 13.706 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.282 12.505 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.907 11.681 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.198 11.509 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.426 12.760 2.400 1.00 0.00 H new ATOM 865 N LYS A 57 12.262 15.946 -0.708 1.00 0.00 N ATOM 866 CA LYS A 57 11.834 16.661 -1.886 1.00 0.00 C ATOM 867 C LYS A 57 11.267 15.633 -2.849 1.00 0.00 C ATOM 868 O LYS A 57 11.598 14.453 -2.726 1.00 0.00 O ATOM 869 CB LYS A 57 13.014 17.406 -2.521 1.00 0.00 C ATOM 870 CG LYS A 57 14.052 17.878 -1.513 1.00 0.00 C ATOM 871 CD LYS A 57 13.947 19.370 -1.236 1.00 0.00 C ATOM 872 CE LYS A 57 12.682 19.727 -0.465 1.00 0.00 C ATOM 873 NZ LYS A 57 12.727 21.120 0.051 1.00 0.00 N ATOM 0 H LYS A 57 13.227 15.617 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 57 11.081 17.407 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.497 16.752 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.635 18.268 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.927 17.327 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.050 17.649 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.819 19.694 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.960 19.914 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.814 19.607 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.556 19.035 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.850 21.327 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.541 21.227 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.822 21.782 -0.745 1.00 0.00 H new ATOM 887 N PRO A 58 10.390 16.031 -3.783 1.00 0.00 N ATOM 888 CA PRO A 58 9.815 15.096 -4.749 1.00 0.00 C ATOM 889 C PRO A 58 10.915 14.381 -5.526 1.00 0.00 C ATOM 890 O PRO A 58 11.570 14.967 -6.386 1.00 0.00 O ATOM 891 CB PRO A 58 8.969 15.989 -5.667 1.00 0.00 C ATOM 892 CG PRO A 58 8.682 17.202 -4.854 1.00 0.00 C ATOM 893 CD PRO A 58 9.887 17.401 -3.975 1.00 0.00 C ATOM 0 HA PRO A 58 9.225 14.308 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.508 16.242 -6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.049 15.488 -5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.516 18.070 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.780 17.068 -4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.631 18.041 -4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.622 17.870 -3.027 1.00 0.00 H new ATOM 901 N GLN A 59 11.135 13.119 -5.189 1.00 0.00 N ATOM 902 CA GLN A 59 12.171 12.322 -5.831 1.00 0.00 C ATOM 903 C GLN A 59 11.556 11.319 -6.788 1.00 0.00 C ATOM 904 O GLN A 59 10.571 10.666 -6.455 1.00 0.00 O ATOM 905 CB GLN A 59 13.004 11.588 -4.775 1.00 0.00 C ATOM 906 CG GLN A 59 13.890 12.507 -3.953 1.00 0.00 C ATOM 907 CD GLN A 59 14.077 12.009 -2.533 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.980 11.226 -2.250 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.227 12.468 -1.627 1.00 0.00 N ATOM 0 H GLN A 59 10.607 12.622 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 59 12.819 12.993 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.333 11.049 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.627 10.843 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.863 12.596 -4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.453 13.505 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.490 13.117 -1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.309 12.172 -0.654 1.00 0.00 H new ATOM 918 N LYS A 60 12.124 11.227 -7.981 1.00 0.00 N ATOM 919 CA LYS A 60 11.654 10.312 -8.996 1.00 0.00 C ATOM 920 C LYS A 60 11.893 8.879 -8.558 1.00 0.00 C ATOM 921 O LYS A 60 12.835 8.586 -7.812 1.00 0.00 O ATOM 922 CB LYS A 60 12.353 10.577 -10.335 1.00 0.00 C ATOM 923 CG LYS A 60 11.903 11.861 -11.017 1.00 0.00 C ATOM 924 CD LYS A 60 12.367 11.924 -12.461 1.00 0.00 C ATOM 925 CE LYS A 60 11.796 13.142 -13.167 1.00 0.00 C ATOM 926 NZ LYS A 60 12.847 14.154 -13.464 1.00 0.00 N ATOM 0 H LYS A 60 12.926 11.789 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 60 10.584 10.470 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.430 10.622 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.168 9.737 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.816 11.930 -10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.295 12.719 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.456 11.958 -12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.059 11.019 -12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.317 12.832 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.023 13.593 -12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.417 14.970 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.287 14.469 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.572 13.732 -14.078 1.00 0.00 H new ATOM 940 N LEU A 61 11.017 8.006 -9.007 1.00 0.00 N ATOM 941 CA LEU A 61 11.099 6.594 -8.676 1.00 0.00 C ATOM 942 C LEU A 61 12.438 5.986 -9.068 1.00 0.00 C ATOM 943 O LEU A 61 12.809 5.988 -10.243 1.00 0.00 O ATOM 944 CB LEU A 61 10.001 5.830 -9.391 1.00 0.00 C ATOM 945 CG LEU A 61 8.640 5.863 -8.731 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.716 4.870 -9.417 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.764 5.574 -7.248 1.00 0.00 C ATOM 0 H LEU A 61 10.231 8.250 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 61 10.987 6.516 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.904 6.229 -10.401 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.312 4.790 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 61 8.210 6.859 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.736 4.895 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.614 5.135 -10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.134 3.867 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.776 5.602 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.203 4.587 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.402 6.326 -6.783 1.00 0.00 H new ATOM 959 N GLY A 62 13.176 5.518 -8.072 1.00 0.00 N ATOM 960 CA GLY A 62 14.437 4.851 -8.329 1.00 0.00 C ATOM 961 C GLY A 62 14.224 3.456 -8.902 1.00 0.00 C ATOM 962 O GLY A 62 13.337 3.243 -9.728 1.00 0.00 O ATOM 0 H GLY A 62 12.923 5.588 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.029 5.445 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.009 4.782 -7.403 1.00 0.00 H new ATOM 966 N GLU A 63 15.010 2.494 -8.443 1.00 0.00 N ATOM 967 CA GLU A 63 14.904 1.125 -8.943 1.00 0.00 C ATOM 968 C GLU A 63 14.320 0.199 -7.883 1.00 0.00 C ATOM 969 O GLU A 63 14.190 -1.007 -8.093 1.00 0.00 O ATOM 970 CB GLU A 63 16.286 0.612 -9.349 1.00 0.00 C ATOM 971 CG GLU A 63 17.170 1.668 -9.989 1.00 0.00 C ATOM 972 CD GLU A 63 18.580 1.173 -10.228 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.747 0.003 -10.628 1.00 0.00 O ATOM 974 OE2 GLU A 63 19.528 1.948 -10.007 1.00 0.00 O ATOM 0 H GLU A 63 15.726 2.631 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 63 14.240 1.132 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.790 0.216 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.165 -0.217 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.731 1.979 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.201 2.549 -9.348 1.00 0.00 H new ATOM 981 N ASP A 64 13.958 0.769 -6.749 1.00 0.00 N ATOM 982 CA ASP A 64 13.423 -0.014 -5.641 1.00 0.00 C ATOM 983 C ASP A 64 12.068 0.528 -5.223 1.00 0.00 C ATOM 984 O ASP A 64 11.539 0.176 -4.171 1.00 0.00 O ATOM 985 CB ASP A 64 14.404 0.051 -4.461 1.00 0.00 C ATOM 986 CG ASP A 64 14.313 -1.143 -3.526 1.00 0.00 C ATOM 987 OD1 ASP A 64 15.125 -2.082 -3.679 1.00 0.00 O ATOM 988 OD2 ASP A 64 13.462 -1.129 -2.615 1.00 0.00 O ATOM 0 H ASP A 64 14.023 1.770 -6.567 1.00 0.00 H new ATOM 0 HA ASP A 64 13.298 -1.050 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.420 0.122 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.215 0.962 -3.893 1.00 0.00 H new ATOM 993 N GLU A 65 11.491 1.378 -6.061 1.00 0.00 N ATOM 994 CA GLU A 65 10.231 2.018 -5.728 1.00 0.00 C ATOM 995 C GLU A 65 9.182 1.843 -6.830 1.00 0.00 C ATOM 996 O GLU A 65 8.164 2.531 -6.838 1.00 0.00 O ATOM 997 CB GLU A 65 10.528 3.490 -5.517 1.00 0.00 C ATOM 998 CG GLU A 65 11.481 3.774 -4.363 1.00 0.00 C ATOM 999 CD GLU A 65 10.794 3.839 -3.011 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.840 3.078 -2.772 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.224 4.656 -2.163 1.00 0.00 O ATOM 0 H GLU A 65 11.874 1.638 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 65 9.812 1.558 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.953 3.899 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.591 4.017 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.247 2.999 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.991 4.719 -4.548 1.00 0.00 H new ATOM 1008 N SER A 66 9.457 0.927 -7.751 1.00 0.00 N ATOM 1009 CA SER A 66 8.574 0.618 -8.892 1.00 0.00 C ATOM 1010 C SER A 66 7.079 0.571 -8.519 1.00 0.00 C ATOM 1011 O SER A 66 6.661 -0.211 -7.663 1.00 0.00 O ATOM 1012 CB SER A 66 9.009 -0.714 -9.498 1.00 0.00 C ATOM 1013 OG SER A 66 10.414 -0.881 -9.364 1.00 0.00 O ATOM 0 H SER A 66 10.308 0.365 -7.735 1.00 0.00 H new ATOM 0 HA SER A 66 8.675 1.428 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.489 -1.534 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.730 -0.751 -10.551 1.00 0.00 H new ATOM 0 HG SER A 66 10.680 -1.739 -9.755 1.00 0.00 H new ATOM 1019 N ILE A 67 6.290 1.400 -9.204 1.00 0.00 N ATOM 1020 CA ILE A 67 4.849 1.505 -8.967 1.00 0.00 C ATOM 1021 C ILE A 67 4.035 0.936 -10.130 1.00 0.00 C ATOM 1022 O ILE A 67 4.422 1.102 -11.290 1.00 0.00 O ATOM 1023 CB ILE A 67 4.441 2.986 -8.796 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.160 3.594 -7.605 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.933 3.140 -8.633 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.811 5.039 -7.386 1.00 0.00 C ATOM 0 H ILE A 67 6.632 2.018 -9.940 1.00 0.00 H new ATOM 0 HA ILE A 67 4.640 0.932 -8.063 1.00 0.00 H new ATOM 0 HB ILE A 67 4.733 3.516 -9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.912 3.026 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.236 3.504 -7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.686 4.195 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.429 2.745 -9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.604 2.590 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.356 5.418 -6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.084 5.617 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.739 5.132 -7.209 1.00 0.00 H new ATOM 1038 N PRO A 68 2.922 0.226 -9.835 1.00 0.00 N ATOM 1039 CA PRO A 68 2.022 -0.300 -10.865 1.00 0.00 C ATOM 1040 C PRO A 68 1.582 0.802 -11.830 1.00 0.00 C ATOM 1041 O PRO A 68 1.140 1.870 -11.401 1.00 0.00 O ATOM 1042 CB PRO A 68 0.829 -0.821 -10.061 1.00 0.00 C ATOM 1043 CG PRO A 68 1.404 -1.171 -8.736 1.00 0.00 C ATOM 1044 CD PRO A 68 2.491 -0.163 -8.480 1.00 0.00 C ATOM 0 HA PRO A 68 2.491 -1.065 -11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.050 -0.064 -9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.375 -1.689 -10.540 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.643 -1.131 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.804 -2.185 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.121 0.692 -7.915 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.311 -0.594 -7.906 1.00 0.00 H new ATOM 1052 N GLU A 69 1.696 0.530 -13.127 1.00 0.00 N ATOM 1053 CA GLU A 69 1.347 1.499 -14.170 1.00 0.00 C ATOM 1054 C GLU A 69 -0.105 1.976 -14.086 1.00 0.00 C ATOM 1055 O GLU A 69 -0.445 3.037 -14.608 1.00 0.00 O ATOM 1056 CB GLU A 69 1.605 0.903 -15.554 1.00 0.00 C ATOM 1057 CG GLU A 69 3.075 0.646 -15.847 1.00 0.00 C ATOM 1058 CD GLU A 69 3.343 0.463 -17.325 1.00 0.00 C ATOM 1059 OE1 GLU A 69 3.796 1.430 -17.972 1.00 0.00 O ATOM 1060 OE2 GLU A 69 3.089 -0.638 -17.849 1.00 0.00 O ATOM 0 H GLU A 69 2.031 -0.364 -13.487 1.00 0.00 H new ATOM 0 HA GLU A 69 1.984 2.368 -14.007 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.057 -0.035 -15.643 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.206 1.579 -16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.669 1.480 -15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.400 -0.244 -15.308 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.952 1.207 -13.424 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.363 1.562 -13.302 1.00 0.00 C ATOM 1069 C GLU A 70 -2.608 2.584 -12.189 1.00 0.00 C ATOM 1070 O GLU A 70 -3.587 3.326 -12.231 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.202 0.305 -13.063 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.776 -0.500 -11.845 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.240 -1.937 -11.920 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -4.415 -2.208 -11.611 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -2.428 -2.804 -12.309 1.00 0.00 O ATOM 0 H GLU A 70 -0.693 0.335 -12.963 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.666 2.028 -14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.247 0.594 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.143 -0.332 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.690 -0.475 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.180 -0.036 -10.945 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.719 2.643 -11.204 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.893 3.572 -10.093 1.00 0.00 C ATOM 1084 C ILE A 71 -0.847 4.690 -10.132 1.00 0.00 C ATOM 1085 O ILE A 71 -0.977 5.710 -9.454 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.833 2.830 -8.738 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.421 2.313 -8.458 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.822 1.671 -8.730 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.322 1.461 -7.208 1.00 0.00 C ATOM 0 H ILE A 71 -0.880 2.066 -11.151 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.879 4.025 -10.198 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.102 3.536 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.081 1.729 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.255 3.162 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.771 1.156 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.831 2.053 -8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.572 0.974 -9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.708 1.130 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.631 2.047 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.972 0.592 -7.308 1.00 0.00 H new ATOM 1101 N ILE A 72 0.168 4.497 -10.962 1.00 0.00 N ATOM 1102 CA ILE A 72 1.261 5.457 -11.128 1.00 0.00 C ATOM 1103 C ILE A 72 0.777 6.744 -11.783 1.00 0.00 C ATOM 1104 O ILE A 72 1.432 7.780 -11.719 1.00 0.00 O ATOM 1105 CB ILE A 72 2.362 4.817 -11.990 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.740 5.428 -11.693 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.024 4.903 -13.475 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.240 6.400 -12.749 1.00 0.00 C ATOM 0 H ILE A 72 0.261 3.665 -11.545 1.00 0.00 H new ATOM 0 HA ILE A 72 1.652 5.712 -10.143 1.00 0.00 H new ATOM 0 HB ILE A 72 2.411 3.761 -11.724 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.695 5.945 -10.734 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.466 4.622 -11.587 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.822 4.442 -14.057 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.087 4.380 -13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.921 5.949 -13.765 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.218 6.782 -12.458 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.321 5.886 -13.707 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.539 7.230 -12.841 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.372 6.675 -12.422 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.927 7.832 -13.091 1.00 0.00 C ATOM 1122 C ASN A 73 -2.204 8.280 -12.410 1.00 0.00 C ATOM 1123 O ASN A 73 -2.952 9.096 -12.942 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.186 7.523 -14.560 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.027 7.923 -15.458 1.00 0.00 C ATOM 1126 OD1 ASN A 73 1.165 8.039 -14.885 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 -0.206 8.131 -16.660 1.00 0.00 N flip ATOM 0 H ASN A 73 -0.939 5.830 -12.492 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.203 8.645 -13.031 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.377 6.456 -14.674 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.087 8.044 -14.883 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.138 8.031 -17.062 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.578 8.403 -17.253 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.437 7.749 -11.221 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.647 8.114 -10.487 1.00 0.00 C ATOM 1136 C GLY A 74 -3.387 8.579 -9.074 1.00 0.00 C ATOM 1137 O GLY A 74 -4.240 8.396 -8.204 1.00 0.00 O ATOM 0 H GLY A 74 -1.826 7.082 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.165 8.904 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.317 7.254 -10.459 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.240 9.237 -8.873 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.822 9.720 -7.553 1.00 0.00 C ATOM 1143 C LYS A 75 -1.735 8.535 -6.611 1.00 0.00 C ATOM 1144 O LYS A 75 -2.741 8.015 -6.128 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.758 10.800 -7.005 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.226 11.478 -5.753 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.998 12.963 -5.977 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.578 13.663 -4.696 1.00 0.00 C ATOM 1149 NZ LYS A 75 -1.379 15.122 -4.897 1.00 0.00 N ATOM 0 H LYS A 75 -1.577 9.449 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.844 10.192 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.923 11.553 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.727 10.353 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.931 11.337 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.290 11.007 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.230 13.103 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.912 13.419 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.337 13.503 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.654 13.219 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.093 15.560 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.637 15.276 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.268 15.552 -5.225 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.526 8.134 -6.315 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.331 6.956 -5.499 1.00 0.00 C ATOM 1165 C CYS A 76 0.077 7.316 -4.086 1.00 0.00 C ATOM 1166 O CYS A 76 0.416 8.463 -3.797 1.00 0.00 O ATOM 1167 CB CYS A 76 0.713 6.049 -6.149 1.00 0.00 C ATOM 1168 SG CYS A 76 0.481 4.298 -5.800 1.00 0.00 S ATOM 0 H CYS A 76 0.331 8.596 -6.620 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.280 6.424 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.689 6.200 -7.228 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.703 6.349 -5.807 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.494 4.150 -4.953 1.00 0.00 H new ATOM 1174 N PHE A 77 0.008 6.334 -3.211 1.00 0.00 N ATOM 1175 CA PHE A 77 0.364 6.510 -1.824 1.00 0.00 C ATOM 1176 C PHE A 77 1.056 5.267 -1.306 1.00 0.00 C ATOM 1177 O PHE A 77 0.454 4.198 -1.215 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.884 6.796 -0.990 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.560 8.082 -1.352 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.804 8.077 -1.961 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -0.948 9.298 -1.092 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.426 9.261 -2.302 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.564 10.481 -1.430 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.805 10.464 -2.036 1.00 0.00 C ATOM 0 H PHE A 77 -0.298 5.390 -3.446 1.00 0.00 H new ATOM 0 HA PHE A 77 1.044 7.358 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.591 5.975 -1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.609 6.823 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.292 7.137 -2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.023 9.317 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.396 9.246 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.077 11.422 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.289 11.392 -2.302 1.00 0.00 H new ATOM 1194 N PHE A 78 2.330 5.396 -0.998 1.00 0.00 N ATOM 1195 CA PHE A 78 3.080 4.280 -0.461 1.00 0.00 C ATOM 1196 C PHE A 78 2.813 4.233 1.018 1.00 0.00 C ATOM 1197 O PHE A 78 3.368 5.014 1.790 1.00 0.00 O ATOM 1198 CB PHE A 78 4.580 4.414 -0.728 1.00 0.00 C ATOM 1199 CG PHE A 78 5.386 3.220 -0.295 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.983 3.186 0.951 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.554 2.139 -1.140 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.728 2.094 1.349 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.298 1.043 -0.750 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.889 1.022 0.497 1.00 0.00 C ATOM 0 H PHE A 78 2.865 6.257 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 78 2.762 3.359 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.736 4.578 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.953 5.298 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.865 4.024 1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.097 2.152 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.185 2.079 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.417 0.204 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.476 0.169 0.804 1.00 0.00 H new ATOM 1214 N ILE A 79 1.936 3.346 1.407 1.00 0.00 N ATOM 1215 CA ILE A 79 1.567 3.230 2.789 1.00 0.00 C ATOM 1216 C ILE A 79 2.238 2.070 3.456 1.00 0.00 C ATOM 1217 O ILE A 79 2.878 1.222 2.838 1.00 0.00 O ATOM 1218 CB ILE A 79 0.058 3.051 2.972 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.340 1.652 2.503 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.714 4.133 2.229 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.776 1.542 2.066 1.00 0.00 C ATOM 0 H ILE A 79 1.464 2.692 0.783 1.00 0.00 H new ATOM 0 HA ILE A 79 1.890 4.165 3.247 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.194 3.152 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.305 1.360 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.161 0.943 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.784 3.983 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.429 5.112 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.482 4.080 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.982 0.520 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.430 1.802 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.957 2.224 1.235 1.00 0.00 H new ATOM 1233 N HIS A 80 2.039 2.064 4.731 1.00 0.00 N ATOM 1234 CA HIS A 80 2.543 1.061 5.598 1.00 0.00 C ATOM 1235 C HIS A 80 1.405 0.750 6.552 1.00 0.00 C ATOM 1236 O HIS A 80 1.120 1.528 7.467 1.00 0.00 O ATOM 1237 CB HIS A 80 3.799 1.622 6.260 1.00 0.00 C ATOM 1238 CG HIS A 80 4.167 1.039 7.578 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.978 -0.056 7.725 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.861 1.457 8.814 1.00 0.00 C ATOM 1241 CE1 HIS A 80 5.162 -0.291 9.009 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.493 0.617 9.701 1.00 0.00 N ATOM 0 H HIS A 80 1.501 2.785 5.212 1.00 0.00 H new ATOM 0 HA HIS A 80 2.845 0.131 5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.637 1.481 5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.668 2.697 6.386 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.376 -0.603 6.962 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.233 2.299 9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.758 -1.090 9.426 1.00 0.00 H new ATOM 1251 N TYR A 81 0.685 -0.324 6.233 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.483 -0.754 6.996 1.00 0.00 C ATOM 1253 C TYR A 81 -0.267 -0.613 8.498 1.00 0.00 C ATOM 1254 O TYR A 81 0.639 -1.210 9.084 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.879 -2.182 6.612 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.523 -2.248 5.247 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.825 -2.733 4.152 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.822 -1.797 5.051 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.400 -2.770 2.896 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.410 -1.835 3.799 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.693 -2.321 2.723 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.267 -2.356 1.472 1.00 0.00 O ATOM 0 H TYR A 81 0.897 -0.922 5.435 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.311 -0.093 6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.006 -2.819 6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.569 -2.579 7.357 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.186 -3.088 4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.382 -1.410 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.840 -3.149 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.423 -1.487 3.664 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.586 -2.585 0.806 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.116 0.209 9.097 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.054 0.505 10.515 1.00 0.00 C ATOM 1274 C GLN A 82 -1.374 -0.730 11.343 1.00 0.00 C ATOM 1275 O GLN A 82 -2.407 -1.370 11.152 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.024 1.635 10.851 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.564 2.515 11.998 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.610 3.536 12.400 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -3.877 3.173 12.268 1.00 0.00 O flip ATOM 1280 NE2 GLN A 82 -2.283 4.637 12.836 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.870 0.690 8.608 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.039 0.820 10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.167 2.254 9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.995 1.206 11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.322 1.890 12.857 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.648 3.031 11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.296 4.879 12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.999 5.309 13.112 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.483 -1.060 12.266 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.678 -2.229 13.096 1.00 0.00 C ATOM 1291 C GLY A 83 0.091 -3.418 12.565 1.00 0.00 C ATOM 1292 O GLY A 83 0.209 -4.445 13.230 1.00 0.00 O ATOM 0 H GLY A 83 0.373 -0.538 12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.357 -2.011 14.115 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.740 -2.472 13.142 1.00 0.00 H new ATOM 1296 N TRP A 84 0.616 -3.271 11.361 1.00 0.00 N ATOM 1297 CA TRP A 84 1.379 -4.329 10.730 1.00 0.00 C ATOM 1298 C TRP A 84 2.856 -3.971 10.692 1.00 0.00 C ATOM 1299 O TRP A 84 3.283 -2.978 11.285 1.00 0.00 O ATOM 1300 CB TRP A 84 0.860 -4.594 9.317 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.308 -5.532 9.278 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.539 -5.290 8.742 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.357 -6.868 9.807 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.345 -6.393 8.889 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -1.644 -7.370 9.547 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.563 -7.686 10.474 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.036 -8.651 9.928 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 0.171 -8.957 10.852 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.118 -9.428 10.579 1.00 0.00 C ATOM 0 H TRP A 84 0.526 -2.424 10.800 1.00 0.00 H new ATOM 0 HA TRP A 84 1.258 -5.238 11.320 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.572 -3.647 8.860 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.668 -5.006 8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.837 -4.365 8.270 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.308 -6.472 8.562 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.560 -7.331 10.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.030 -9.018 9.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.872 -9.597 11.367 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.394 -10.425 10.889 1.00 0.00 H new ATOM 1320 N LYS A 85 3.625 -4.780 9.987 1.00 0.00 N ATOM 1321 CA LYS A 85 5.058 -4.569 9.862 1.00 0.00 C ATOM 1322 C LYS A 85 5.385 -3.938 8.512 1.00 0.00 C ATOM 1323 O LYS A 85 4.489 -3.676 7.709 1.00 0.00 O ATOM 1324 CB LYS A 85 5.803 -5.900 10.019 1.00 0.00 C ATOM 1325 CG LYS A 85 4.892 -7.122 10.005 1.00 0.00 C ATOM 1326 CD LYS A 85 5.685 -8.409 9.880 1.00 0.00 C ATOM 1327 CE LYS A 85 6.659 -8.580 11.031 1.00 0.00 C ATOM 1328 NZ LYS A 85 7.536 -9.760 10.837 1.00 0.00 N ATOM 0 H LYS A 85 3.278 -5.598 9.487 1.00 0.00 H new ATOM 0 HA LYS A 85 5.381 -3.890 10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.533 -5.994 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.360 -5.885 10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.301 -7.146 10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.191 -7.044 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.001 -9.257 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.232 -8.410 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.271 -7.683 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.105 -8.688 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.188 -9.844 11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.953 -10.619 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.083 -9.645 9.960 1.00 0.00 H new ATOM 1342 N SER A 86 6.672 -3.718 8.257 1.00 0.00 N ATOM 1343 CA SER A 86 7.130 -3.115 7.008 1.00 0.00 C ATOM 1344 C SER A 86 6.949 -4.076 5.828 1.00 0.00 C ATOM 1345 O SER A 86 7.137 -3.705 4.672 1.00 0.00 O ATOM 1346 CB SER A 86 8.598 -2.717 7.142 1.00 0.00 C ATOM 1347 OG SER A 86 8.979 -2.659 8.510 1.00 0.00 O ATOM 0 H SER A 86 7.423 -3.951 8.906 1.00 0.00 H new ATOM 0 HA SER A 86 6.527 -2.228 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.225 -3.436 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.762 -1.747 6.672 1.00 0.00 H new ATOM 0 HG SER A 86 9.923 -2.404 8.576 1.00 0.00 H new ATOM 1353 N SER A 87 6.579 -5.313 6.133 1.00 0.00 N ATOM 1354 CA SER A 87 6.363 -6.327 5.111 1.00 0.00 C ATOM 1355 C SER A 87 5.027 -6.100 4.394 1.00 0.00 C ATOM 1356 O SER A 87 4.672 -6.823 3.461 1.00 0.00 O ATOM 1357 CB SER A 87 6.390 -7.715 5.756 1.00 0.00 C ATOM 1358 OG SER A 87 7.141 -7.695 6.961 1.00 0.00 O ATOM 0 H SER A 87 6.422 -5.639 7.087 1.00 0.00 H new ATOM 0 HA SER A 87 7.160 -6.257 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.372 -8.045 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.825 -8.435 5.063 1.00 0.00 H new ATOM 0 HG SER A 87 7.550 -8.574 7.106 1.00 0.00 H new ATOM 1364 N TRP A 88 4.290 -5.087 4.839 1.00 0.00 N ATOM 1365 CA TRP A 88 2.999 -4.763 4.252 1.00 0.00 C ATOM 1366 C TRP A 88 3.046 -3.409 3.553 1.00 0.00 C ATOM 1367 O TRP A 88 2.018 -2.876 3.138 1.00 0.00 O ATOM 1368 CB TRP A 88 1.914 -4.763 5.332 1.00 0.00 C ATOM 1369 CG TRP A 88 1.460 -6.133 5.720 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.048 -6.970 6.625 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.312 -6.826 5.217 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.339 -8.143 6.710 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.267 -8.079 5.860 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.681 -6.509 4.289 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -0.735 -9.012 5.602 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.675 -7.434 4.035 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -1.695 -8.674 4.688 1.00 0.00 C ATOM 0 H TRP A 88 4.568 -4.476 5.607 1.00 0.00 H new ATOM 0 HA TRP A 88 2.760 -5.523 3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.292 -4.250 6.216 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.057 -4.192 4.975 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.940 -6.743 7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.573 -8.934 7.310 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.672 -5.557 3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -0.753 -9.967 6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.450 -7.198 3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -2.484 -9.377 4.465 1.00 0.00 H new ATOM 1388 N ASP A 89 4.241 -2.859 3.426 1.00 0.00 N ATOM 1389 CA ASP A 89 4.423 -1.569 2.773 1.00 0.00 C ATOM 1390 C ASP A 89 4.205 -1.700 1.267 1.00 0.00 C ATOM 1391 O ASP A 89 4.962 -2.387 0.580 1.00 0.00 O ATOM 1392 CB ASP A 89 5.828 -1.032 3.055 1.00 0.00 C ATOM 1393 CG ASP A 89 5.972 -0.430 4.443 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.449 0.719 4.549 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.609 -1.105 5.436 1.00 0.00 O ATOM 0 H ASP A 89 5.103 -3.285 3.766 1.00 0.00 H new ATOM 0 HA ASP A 89 3.689 -0.869 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.549 -1.841 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.077 -0.276 2.311 1.00 0.00 H new ATOM 1400 N GLU A 90 3.163 -1.054 0.755 1.00 0.00 N ATOM 1401 CA GLU A 90 2.855 -1.113 -0.669 1.00 0.00 C ATOM 1402 C GLU A 90 2.245 0.198 -1.155 1.00 0.00 C ATOM 1403 O GLU A 90 1.921 1.082 -0.359 1.00 0.00 O ATOM 1404 CB GLU A 90 1.904 -2.279 -0.970 1.00 0.00 C ATOM 1405 CG GLU A 90 0.569 -2.200 -0.244 1.00 0.00 C ATOM 1406 CD GLU A 90 -0.445 -3.192 -0.785 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -1.662 -2.963 -0.618 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -0.030 -4.209 -1.389 1.00 0.00 O ATOM 0 H GLU A 90 2.519 -0.485 1.304 1.00 0.00 H new ATOM 0 HA GLU A 90 3.791 -1.275 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.719 -2.314 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.396 -3.213 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.725 -2.387 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.169 -1.190 -0.334 1.00 0.00 H new ATOM 1415 N TRP A 91 2.099 0.312 -2.466 1.00 0.00 N ATOM 1416 CA TRP A 91 1.535 1.504 -3.081 1.00 0.00 C ATOM 1417 C TRP A 91 0.033 1.352 -3.319 1.00 0.00 C ATOM 1418 O TRP A 91 -0.409 0.400 -3.962 1.00 0.00 O ATOM 1419 CB TRP A 91 2.200 1.771 -4.433 1.00 0.00 C ATOM 1420 CG TRP A 91 3.597 2.322 -4.368 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.760 1.616 -4.495 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.977 3.696 -4.194 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.836 2.468 -4.427 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.383 3.748 -4.241 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.271 4.892 -4.014 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.088 4.943 -4.111 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.979 6.073 -3.880 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.373 6.089 -3.934 1.00 0.00 C ATOM 0 H TRP A 91 2.366 -0.414 -3.130 1.00 0.00 H new ATOM 0 HA TRP A 91 1.714 2.332 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.221 0.839 -4.998 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.578 2.469 -4.993 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.824 0.546 -4.629 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.815 2.192 -4.503 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.192 4.892 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.167 4.960 -4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.443 6.999 -3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.896 7.029 -3.833 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.744 2.287 -2.796 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.185 2.292 -3.002 1.00 0.00 C ATOM 1441 C VAL A 92 -2.550 3.548 -3.770 1.00 0.00 C ATOM 1442 O VAL A 92 -1.719 4.434 -3.931 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.992 2.238 -1.685 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.874 0.865 -1.046 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.535 3.327 -0.729 1.00 0.00 C ATOM 0 H VAL A 92 -0.399 3.057 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.444 1.391 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.042 2.416 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.448 0.844 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.262 0.111 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.827 0.654 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.116 3.271 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.478 3.190 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.682 4.303 -1.192 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.771 3.638 -4.246 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.172 4.812 -4.987 1.00 0.00 C ATOM 1457 C GLY A 93 -5.529 5.287 -4.559 1.00 0.00 C ATOM 1458 O GLY A 93 -6.186 4.618 -3.772 1.00 0.00 O ATOM 0 H GLY A 93 -4.493 2.926 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.442 5.607 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.183 4.586 -6.053 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.961 6.420 -5.101 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.272 6.996 -4.786 1.00 0.00 C ATOM 1464 C TYR A 94 -8.395 6.028 -5.121 1.00 0.00 C ATOM 1465 O TYR A 94 -9.538 6.193 -4.704 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.471 8.268 -5.594 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.979 9.500 -4.900 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.757 10.060 -5.224 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.735 10.096 -3.909 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.304 11.187 -4.585 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -7.293 11.223 -3.261 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.071 11.769 -3.598 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.628 12.903 -2.959 1.00 0.00 O ATOM 0 H TYR A 94 -5.418 6.967 -5.769 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.299 7.209 -3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.954 8.167 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.532 8.385 -5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.150 9.604 -5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.689 9.668 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.350 11.616 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.898 11.680 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.372 13.317 -2.474 1.00 0.00 H new ATOM 1483 N ASP A 95 -8.036 5.018 -5.874 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.981 4.010 -6.316 1.00 0.00 C ATOM 1485 C ASP A 95 -9.215 2.961 -5.233 1.00 0.00 C ATOM 1486 O ASP A 95 -10.275 2.340 -5.173 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.468 3.345 -7.593 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.450 2.346 -8.162 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -10.604 2.729 -8.447 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -9.070 1.174 -8.328 1.00 0.00 O ATOM 0 H ASP A 95 -7.082 4.867 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.934 4.499 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.261 4.112 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.524 2.842 -7.383 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.230 2.775 -4.360 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.353 1.787 -3.292 1.00 0.00 C ATOM 1497 C ARG A 96 -8.252 2.454 -1.930 1.00 0.00 C ATOM 1498 O ARG A 96 -8.593 1.864 -0.910 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.269 0.707 -3.407 1.00 0.00 C ATOM 1500 CG ARG A 96 -7.107 0.126 -4.806 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.703 -1.345 -4.773 1.00 0.00 C ATOM 1502 NE ARG A 96 -5.845 -1.670 -3.630 1.00 0.00 N ATOM 1503 CZ ARG A 96 -4.524 -1.858 -3.708 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -3.889 -1.752 -4.872 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -3.841 -2.171 -2.609 1.00 0.00 N ATOM 0 H ARG A 96 -7.348 3.288 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.331 1.317 -3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.316 1.130 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.504 -0.102 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.044 0.232 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.354 0.696 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.600 -1.963 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.181 -1.595 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.285 -1.759 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.411 -1.525 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.881 -1.898 -4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.326 -2.266 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.833 -2.316 -2.659 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.791 3.689 -1.923 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.617 4.425 -0.691 1.00 0.00 C ATOM 1521 C ILE A 97 -8.898 5.151 -0.291 1.00 0.00 C ATOM 1522 O ILE A 97 -9.651 5.643 -1.137 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.429 5.418 -0.788 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.539 5.291 0.432 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.902 6.848 -0.918 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.329 6.197 0.405 1.00 0.00 C ATOM 0 H ILE A 97 -7.529 4.205 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.385 3.700 0.089 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.865 5.163 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.127 5.513 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.205 4.257 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.040 7.512 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.508 6.950 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.500 7.114 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.742 6.048 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.717 5.961 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.654 7.236 0.350 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.147 5.171 1.005 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.314 5.835 1.573 1.00 0.00 C ATOM 1540 C ARG A 98 -9.869 6.742 2.714 1.00 0.00 C ATOM 1541 O ARG A 98 -8.714 6.688 3.128 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.332 4.810 2.090 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.766 3.775 1.063 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.304 4.416 -0.207 1.00 0.00 C ATOM 1545 NE ARG A 98 -13.382 5.371 0.051 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.405 6.609 -0.444 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -12.385 7.057 -1.174 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.441 7.403 -0.215 1.00 0.00 N ATOM 0 H ARG A 98 -8.546 4.727 1.699 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.794 6.427 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.903 4.293 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.214 5.342 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.919 3.135 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.533 3.134 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.490 4.925 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.668 3.636 -0.876 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.158 5.074 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.584 6.453 -1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.405 8.004 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.227 7.068 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.453 8.349 -0.596 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.784 7.533 3.254 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.464 8.441 4.329 1.00 0.00 C ATOM 1564 C ALA A 99 -10.900 7.816 5.615 1.00 0.00 C ATOM 1565 O ALA A 99 -12.093 7.712 5.876 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.176 9.774 4.164 1.00 0.00 C ATOM 0 H ALA A 99 -11.760 7.559 2.958 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.390 8.627 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.912 10.433 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.874 10.234 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.254 9.613 4.159 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.937 7.372 6.381 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.186 6.754 7.663 1.00 0.00 C ATOM 1574 C TYR A 100 -11.061 7.680 8.508 1.00 0.00 C ATOM 1575 O TYR A 100 -10.580 8.653 9.092 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.827 6.510 8.292 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.815 5.940 9.691 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.509 4.602 9.902 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -9.071 6.731 10.799 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.458 4.072 11.176 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -9.028 6.211 12.077 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.719 4.881 12.261 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.665 4.358 13.535 1.00 0.00 O ATOM 0 H TYR A 100 -8.949 7.428 6.133 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.723 5.809 7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.270 5.833 7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.285 7.455 8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.307 3.964 9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.309 7.775 10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.215 3.030 11.321 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.235 6.843 12.928 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.873 5.060 14.186 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.356 7.392 8.522 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.315 8.194 9.259 1.00 0.00 C ATOM 1595 C ASN A 101 -14.509 7.338 9.678 1.00 0.00 C ATOM 1596 O ASN A 101 -14.598 6.164 9.325 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.762 9.400 8.410 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.951 9.109 7.505 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -16.083 9.466 7.826 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.707 8.460 6.374 1.00 0.00 N ATOM 0 H ASN A 101 -12.766 6.601 8.025 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.841 8.575 10.164 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.017 10.225 9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.924 9.731 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -15.472 8.241 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.754 8.180 6.142 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.440 7.945 10.388 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.619 7.237 10.906 1.00 0.00 C ATOM 1609 C GLU A 102 -17.562 6.711 9.816 1.00 0.00 C ATOM 1610 O GLU A 102 -18.543 6.032 10.125 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.398 8.148 11.856 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.938 8.053 13.296 1.00 0.00 C ATOM 1613 CD GLU A 102 -17.157 6.673 13.877 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -18.265 6.412 14.393 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.232 5.838 13.812 1.00 0.00 O ATOM 0 H GLU A 102 -15.411 8.936 10.627 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.236 6.362 11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.300 9.180 11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.457 7.894 11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.879 8.306 13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.475 8.787 13.896 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.282 7.015 8.560 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.134 6.574 7.464 1.00 0.00 C ATOM 1624 C GLU A 103 -17.621 5.293 6.796 1.00 0.00 C ATOM 1625 O GLU A 103 -18.382 4.342 6.608 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.264 7.692 6.426 1.00 0.00 C ATOM 1627 CG GLU A 103 -18.654 7.200 5.046 1.00 0.00 C ATOM 1628 CD GLU A 103 -17.657 7.609 3.983 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -18.090 8.013 2.885 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -16.436 7.527 4.240 1.00 0.00 O ATOM 0 H GLU A 103 -16.473 7.565 8.272 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.112 6.343 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.008 8.410 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.315 8.224 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.739 6.113 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.637 7.593 4.788 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.337 5.251 6.458 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.780 4.087 5.772 1.00 0.00 C ATOM 1639 C ASN A 104 -15.401 3.002 6.765 1.00 0.00 C ATOM 1640 O ASN A 104 -15.511 1.811 6.473 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.577 4.482 4.906 1.00 0.00 C ATOM 1642 CG ASN A 104 -13.387 4.955 5.716 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.533 5.526 6.795 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -12.193 4.722 5.198 1.00 0.00 N ATOM 0 H ASN A 104 -15.668 5.998 6.644 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.550 3.686 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -14.278 3.627 4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -14.877 5.272 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.354 5.019 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.111 4.245 4.300 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.973 3.416 7.944 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.607 2.482 8.986 1.00 0.00 C ATOM 1653 C ILE A 105 -15.846 1.745 9.433 1.00 0.00 C ATOM 1654 O ILE A 105 -15.800 0.568 9.787 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.006 3.202 10.176 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.743 3.932 9.749 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.709 2.230 11.299 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.034 4.582 10.899 1.00 0.00 C ATOM 0 H ILE A 105 -14.871 4.398 8.202 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.865 1.789 8.590 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.727 3.930 10.548 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.068 3.228 9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.999 4.691 9.010 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.278 2.769 12.143 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.633 1.743 11.613 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.002 1.477 10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.140 5.088 10.536 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.696 5.308 11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.750 3.823 11.628 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.960 2.468 9.389 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.246 1.923 9.758 1.00 0.00 C ATOM 1672 C ALA A 106 -18.521 0.688 8.918 1.00 0.00 C ATOM 1673 O ALA A 106 -19.100 -0.291 9.392 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.332 2.969 9.567 1.00 0.00 C ATOM 0 H ALA A 106 -16.989 3.445 9.096 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.240 1.639 10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.297 2.547 9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.118 3.835 10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.361 3.276 8.522 1.00 0.00 H new ATOM 1680 N MET A 107 -18.058 0.726 7.673 1.00 0.00 N ATOM 1681 CA MET A 107 -18.226 -0.403 6.783 1.00 0.00 C ATOM 1682 C MET A 107 -17.191 -1.456 7.123 1.00 0.00 C ATOM 1683 O MET A 107 -17.523 -2.617 7.212 1.00 0.00 O ATOM 1684 CB MET A 107 -18.076 -0.011 5.311 1.00 0.00 C ATOM 1685 CG MET A 107 -18.918 -0.857 4.370 1.00 0.00 C ATOM 1686 SD MET A 107 -18.760 -0.341 2.653 1.00 0.00 S ATOM 1687 CE MET A 107 -19.612 -1.675 1.821 1.00 0.00 C ATOM 0 H MET A 107 -17.568 1.522 7.265 1.00 0.00 H new ATOM 0 HA MET A 107 -19.237 -0.787 6.921 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.354 1.036 5.192 1.00 0.00 H new ATOM 0 HB3 MET A 107 -17.028 -0.098 5.025 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.620 -1.902 4.461 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.964 -0.796 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.600 -1.500 0.745 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.113 -2.619 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.644 -1.721 2.169 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.942 -1.024 7.338 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.829 -1.914 7.666 1.00 0.00 C ATOM 1699 C LYS A 108 -15.187 -2.858 8.811 1.00 0.00 C ATOM 1700 O LYS A 108 -14.832 -4.032 8.796 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.607 -1.075 8.035 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.415 -1.889 8.503 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.948 -1.442 9.876 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.447 -1.221 9.903 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.766 -2.165 10.826 1.00 0.00 N ATOM 0 H LYS A 108 -15.677 -0.040 7.288 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.606 -2.528 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.311 -0.483 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.885 -0.373 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.682 -2.945 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.599 -1.787 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.459 -0.520 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.221 -2.193 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.044 -1.342 8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.236 -0.197 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.741 -1.993 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.120 -2.021 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.960 -3.142 10.528 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.881 -2.327 9.802 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.312 -3.126 10.956 1.00 0.00 C ATOM 1721 C LYS A 109 -17.218 -4.252 10.501 1.00 0.00 C ATOM 1722 O LYS A 109 -17.038 -5.413 10.877 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.064 -2.270 11.985 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.363 -0.980 12.370 1.00 0.00 C ATOM 1725 CD LYS A 109 -15.096 -1.241 13.155 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.932 -0.228 14.276 1.00 0.00 C ATOM 1727 NZ LYS A 109 -15.875 -0.474 15.401 1.00 0.00 N ATOM 0 H LYS A 109 -16.162 -1.347 9.839 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.415 -3.531 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -18.049 -2.027 11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.223 -2.864 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.123 -0.414 11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -17.038 -0.363 12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.123 -2.248 13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.235 -1.194 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.908 -0.264 14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.093 0.776 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.597 0.103 16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.839 -0.217 15.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.849 -1.480 15.662 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.193 -3.898 9.690 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.127 -4.864 9.160 1.00 0.00 C ATOM 1743 C ARG A 110 -18.441 -5.696 8.100 1.00 0.00 C ATOM 1744 O ARG A 110 -18.808 -6.825 7.855 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.326 -4.152 8.550 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.530 -5.052 8.346 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.674 -4.309 7.682 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.373 -3.962 6.297 1.00 0.00 N ATOM 1749 CZ ARG A 110 -22.401 -2.722 5.817 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -22.652 -1.698 6.622 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -22.175 -2.508 4.529 1.00 0.00 N ATOM 0 H ARG A 110 -18.358 -2.940 9.383 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.471 -5.509 9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.610 -3.320 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.035 -3.726 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.246 -5.908 7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.859 -5.444 9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.573 -4.925 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.890 -3.400 8.244 1.00 0.00 H new ATOM 0 HE ARG A 110 -22.126 -4.717 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -22.825 -1.860 7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.672 -0.749 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -21.980 -3.293 3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -22.196 -1.558 4.159 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.430 -5.108 7.499 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.656 -5.723 6.444 1.00 0.00 C ATOM 1767 C LEU A 111 -15.777 -6.836 6.950 1.00 0.00 C ATOM 1768 O LEU A 111 -15.699 -7.885 6.326 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.830 -4.648 5.754 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.528 -4.046 4.564 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.984 -2.666 4.251 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.429 -4.921 3.346 1.00 0.00 C ATOM 0 H LEU A 111 -17.116 -4.167 7.736 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.344 -6.180 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.598 -3.860 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.880 -5.077 5.433 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.581 -3.961 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.507 -2.256 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.134 -2.012 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.919 -2.736 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.947 -4.445 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.380 -5.065 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -16.888 -5.888 3.554 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.132 -6.634 8.084 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.277 -7.677 8.619 1.00 0.00 C ATOM 1786 C ALA A 112 -15.134 -8.803 9.154 1.00 0.00 C ATOM 1787 O ALA A 112 -14.652 -9.900 9.429 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.348 -7.125 9.685 1.00 0.00 C ATOM 0 H ALA A 112 -15.181 -5.780 8.640 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.646 -8.069 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.718 -7.927 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.720 -6.346 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.938 -6.705 10.500 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.417 -8.513 9.293 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.373 -9.492 9.756 1.00 0.00 C ATOM 1796 C ASN A 113 -18.112 -10.104 8.566 1.00 0.00 C ATOM 1797 O ASN A 113 -18.432 -11.282 8.575 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.346 -8.858 10.745 1.00 0.00 C ATOM 1799 CG ASN A 113 -17.807 -8.863 12.161 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -17.945 -9.848 12.886 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.189 -7.765 12.569 1.00 0.00 N ATOM 0 H ASN A 113 -16.818 -7.598 9.088 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.843 -10.291 10.275 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.554 -7.832 10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.293 -9.397 10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.808 -7.716 13.514 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.094 -6.969 11.938 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.358 -9.295 7.531 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.040 -9.753 6.320 1.00 0.00 C ATOM 1810 C GLU A 114 -18.086 -10.542 5.446 1.00 0.00 C ATOM 1811 O GLU A 114 -18.466 -11.561 4.871 1.00 0.00 O ATOM 1812 CB GLU A 114 -19.618 -8.582 5.521 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.041 -8.222 5.914 1.00 0.00 C ATOM 1814 CD GLU A 114 -21.763 -7.444 4.833 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -22.368 -8.077 3.940 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -21.736 -6.198 4.871 1.00 0.00 O ATOM 0 H GLU A 114 -18.091 -8.311 7.510 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.865 -10.393 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -18.980 -7.709 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -19.595 -8.830 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.596 -9.134 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.023 -7.633 6.831 1.00 0.00 H new ATOM 1823 N ALA A 115 -16.837 -10.082 5.342 1.00 0.00 N ATOM 1824 CA ALA A 115 -15.848 -10.808 4.549 1.00 0.00 C ATOM 1825 C ALA A 115 -15.438 -12.071 5.292 1.00 0.00 C ATOM 1826 O ALA A 115 -14.671 -12.900 4.794 1.00 0.00 O ATOM 1827 CB ALA A 115 -14.630 -9.942 4.256 1.00 0.00 C ATOM 0 H ALA A 115 -16.494 -9.230 5.786 1.00 0.00 H new ATOM 0 HA ALA A 115 -16.295 -11.077 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.913 -10.511 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.938 -9.057 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.166 -9.637 5.194 1.00 0.00 H new ATOM 1833 N LYS A 116 -15.963 -12.193 6.502 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.705 -13.326 7.363 1.00 0.00 C ATOM 1835 C LYS A 116 -16.812 -14.372 7.220 1.00 0.00 C ATOM 1836 O LYS A 116 -16.605 -15.553 7.511 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.577 -12.817 8.808 1.00 0.00 C ATOM 1838 CG LYS A 116 -16.602 -13.369 9.793 1.00 0.00 C ATOM 1839 CD LYS A 116 -16.155 -13.171 11.231 1.00 0.00 C ATOM 1840 CE LYS A 116 -16.927 -14.069 12.183 1.00 0.00 C ATOM 1841 NZ LYS A 116 -16.372 -14.012 13.557 1.00 0.00 N ATOM 0 H LYS A 116 -16.586 -11.498 6.913 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.774 -13.816 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.580 -13.062 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.656 -11.730 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.561 -12.874 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.757 -14.431 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.089 -13.382 11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.297 -12.129 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.974 -13.767 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -16.897 -15.096 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.923 -14.637 14.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.380 -14.323 13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.424 -13.036 13.912 1.00 0.00 H new ATOM 1855 N GLU A 117 -17.979 -13.932 6.745 1.00 0.00 N ATOM 1856 CA GLU A 117 -19.120 -14.820 6.544 1.00 0.00 C ATOM 1857 C GLU A 117 -18.920 -15.657 5.283 1.00 0.00 C ATOM 1858 O GLU A 117 -19.576 -15.433 4.262 1.00 0.00 O ATOM 1859 CB GLU A 117 -20.422 -14.014 6.424 1.00 0.00 C ATOM 1860 CG GLU A 117 -20.571 -12.904 7.454 1.00 0.00 C ATOM 1861 CD GLU A 117 -21.161 -13.379 8.767 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -20.434 -14.005 9.563 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -22.357 -13.108 9.014 1.00 0.00 O ATOM 0 H GLU A 117 -18.157 -12.960 6.492 1.00 0.00 H new ATOM 0 HA GLU A 117 -19.193 -15.480 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.474 -13.577 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.267 -14.696 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -19.594 -12.459 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.205 -12.118 7.042 1.00 0.00 H new ATOM 1870 N ALA A 118 -18.005 -16.612 5.361 1.00 0.00 N ATOM 1871 CA ALA A 118 -17.700 -17.481 4.233 1.00 0.00 C ATOM 1872 C ALA A 118 -18.903 -18.340 3.861 1.00 0.00 C ATOM 1873 O ALA A 118 -19.209 -19.323 4.537 1.00 0.00 O ATOM 1874 CB ALA A 118 -16.496 -18.355 4.554 1.00 0.00 C ATOM 0 H ALA A 118 -17.457 -16.806 6.199 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.460 -16.854 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.278 -19.000 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.632 -17.723 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -16.714 -18.969 5.428 1.00 0.00 H new ATOM 1880 N LYS A 119 -19.582 -17.940 2.784 1.00 0.00 N ATOM 1881 CA LYS A 119 -20.770 -18.631 2.275 1.00 0.00 C ATOM 1882 C LYS A 119 -21.932 -18.537 3.257 1.00 0.00 C ATOM 1883 O LYS A 119 -22.863 -19.342 3.208 1.00 0.00 O ATOM 1884 CB LYS A 119 -20.468 -20.098 1.949 1.00 0.00 C ATOM 1885 CG LYS A 119 -19.404 -20.281 0.878 1.00 0.00 C ATOM 1886 CD LYS A 119 -19.612 -21.571 0.096 1.00 0.00 C ATOM 1887 CE LYS A 119 -19.461 -22.796 0.982 1.00 0.00 C ATOM 1888 NZ LYS A 119 -19.904 -24.035 0.293 1.00 0.00 N ATOM 0 H LYS A 119 -19.321 -17.121 2.235 1.00 0.00 H new ATOM 0 HA LYS A 119 -21.061 -18.129 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -20.145 -20.604 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -21.387 -20.585 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -19.426 -19.433 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.418 -20.291 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -20.605 -21.568 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -18.892 -21.622 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.418 -22.901 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -20.043 -22.659 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.785 -24.848 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -20.906 -23.946 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -19.332 -24.180 -0.563 1.00 0.00 H new ATOM 1902 N LYS A 120 -21.881 -17.526 4.116 1.00 0.00 N ATOM 1903 CA LYS A 120 -22.917 -17.295 5.123 1.00 0.00 C ATOM 1904 C LYS A 120 -23.021 -18.481 6.085 1.00 0.00 C ATOM 1905 O LYS A 120 -24.132 -18.749 6.593 1.00 0.00 O ATOM 1906 CB LYS A 120 -24.270 -17.040 4.454 1.00 0.00 C ATOM 1907 CG LYS A 120 -25.021 -15.850 5.025 1.00 0.00 C ATOM 1908 CD LYS A 120 -26.416 -15.741 4.430 1.00 0.00 C ATOM 1909 CE LYS A 120 -26.377 -15.353 2.963 1.00 0.00 C ATOM 1910 NZ LYS A 120 -27.737 -15.356 2.360 1.00 0.00 N ATOM 1911 OXT LYS A 120 -21.989 -19.138 6.333 1.00 0.00 O ATOM 0 H LYS A 120 -21.124 -16.843 4.137 1.00 0.00 H new ATOM 0 HA LYS A 120 -22.636 -16.411 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -24.113 -16.881 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -24.889 -17.931 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -25.092 -15.948 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -24.464 -14.935 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -26.933 -16.694 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -26.991 -15.001 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -25.935 -14.362 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -25.736 -16.047 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -27.673 -15.086 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -28.149 -16.308 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -28.341 -14.676 2.863 1.00 0.00 H new TER 1925 LYS A 120