USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=26 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 18 HIS : no HD1:sc= -0.0583 K(o=-0.058,f=-3.7!) USER MOD Set 1.2: A 81 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.998) USER MOD Set 3.2: A 38 TYR OH : rot 131:sc= 1.25 USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.0177) USER MOD Single : A 1 MET N :NH3+ -156:sc= 0.0171 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.26) USER MOD Single : A 14 CYS SG : rot -171:sc= -2.21! USER MOD Single : A 22 MET CE :methyl 143:sc= -1.71 (180deg=-3.16!) 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 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 26:sc= -0.985! USER MOD Single : A 40 SER OG : rot -170:sc= -1.14 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -6:sc= 1.1 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00199 USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.179 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= 0.381 X(o=0.38,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0.0063) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.976 (180deg=0.965) USER MOD Single : A 76 CYS SG : rot 78:sc= -2.16 USER MOD Single : A 80 HIS : no HE2:sc= 0.903 K(o=0.9,f=-5.5!) USER MOD Single : A 82 GLN : amide:sc= -0.0447 K(o=-0.045,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.135 USER MOD Single : A 87 SER OG : rot -46:sc= 0.0115 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0412 USER MOD Single : A 100 TYR OH : rot 23:sc= 1.23 USER MOD Single : A 101 ASN : amide:sc= 0.319 K(o=0.32,f=-9.9!) USER MOD Single : A 104 ASN : amide:sc= -2.57! C(o=-2.6!,f=-5.2!) USER MOD Single : A 107 MET CE :methyl -156:sc= -0.198 (180deg=-0.877) USER MOD Single : A 108 LYS NZ :NH3+ 152:sc= -0.102 (180deg=-0.594) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0.89 K(o=0.89,f=-0.61) 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 -17.572 14.195 -2.440 1.00 0.00 N ATOM 2 CA MET A 1 -17.823 15.358 -1.564 1.00 0.00 C ATOM 3 C MET A 1 -16.501 15.903 -1.041 1.00 0.00 C ATOM 4 O MET A 1 -15.432 15.476 -1.485 1.00 0.00 O ATOM 5 CB MET A 1 -18.733 14.958 -0.397 1.00 0.00 C ATOM 6 CG MET A 1 -20.081 15.661 -0.410 1.00 0.00 C ATOM 7 SD MET A 1 -21.209 14.998 -1.652 1.00 0.00 S ATOM 8 CE MET A 1 -21.787 13.513 -0.831 1.00 0.00 C ATOM 0 H1 MET A 1 -18.369 14.077 -3.097 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.697 14.350 -2.981 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.473 13.338 -1.859 1.00 0.00 H new ATOM 0 HA MET A 1 -18.324 16.136 -2.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.894 13.880 -0.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.225 15.180 0.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.540 15.572 0.574 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.929 16.724 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.809 12.688 -1.543 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.114 13.266 -0.010 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.790 13.681 -0.440 1.00 0.00 H new ATOM 18 N VAL A 2 -16.563 16.860 -0.126 1.00 0.00 N ATOM 19 CA VAL A 2 -15.351 17.433 0.439 1.00 0.00 C ATOM 20 C VAL A 2 -14.836 16.596 1.604 1.00 0.00 C ATOM 21 O VAL A 2 -15.349 16.658 2.724 1.00 0.00 O ATOM 22 CB VAL A 2 -15.537 18.886 0.903 1.00 0.00 C ATOM 23 CG1 VAL A 2 -15.497 19.830 -0.285 1.00 0.00 C ATOM 24 CG2 VAL A 2 -16.833 19.061 1.684 1.00 0.00 C ATOM 0 H VAL A 2 -17.431 17.253 0.238 1.00 0.00 H new ATOM 0 HA VAL A 2 -14.618 17.430 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.713 19.131 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.630 20.855 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.535 19.739 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.297 19.574 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.932 20.101 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.678 18.790 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.817 18.418 2.564 1.00 0.00 H new ATOM 34 N ASP A 3 -13.822 15.808 1.316 1.00 0.00 N ATOM 35 CA ASP A 3 -13.197 14.936 2.304 1.00 0.00 C ATOM 36 C ASP A 3 -11.758 14.633 1.899 1.00 0.00 C ATOM 37 O ASP A 3 -11.171 13.644 2.329 1.00 0.00 O ATOM 38 CB ASP A 3 -13.989 13.627 2.482 1.00 0.00 C ATOM 39 CG ASP A 3 -14.841 13.256 1.277 1.00 0.00 C ATOM 40 OD1 ASP A 3 -14.284 12.815 0.247 1.00 0.00 O ATOM 41 OD2 ASP A 3 -16.084 13.394 1.360 1.00 0.00 O ATOM 0 H ASP A 3 -13.402 15.750 0.388 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.198 15.457 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.290 12.815 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.633 13.719 3.356 1.00 0.00 H new ATOM 46 N LEU A 4 -11.189 15.521 1.091 1.00 0.00 N ATOM 47 CA LEU A 4 -9.815 15.375 0.603 1.00 0.00 C ATOM 48 C LEU A 4 -8.893 16.323 1.358 1.00 0.00 C ATOM 49 O LEU A 4 -7.698 16.414 1.073 1.00 0.00 O ATOM 50 CB LEU A 4 -9.742 15.692 -0.894 1.00 0.00 C ATOM 51 CG LEU A 4 -9.769 17.187 -1.224 1.00 0.00 C ATOM 52 CD1 LEU A 4 -8.929 17.486 -2.457 1.00 0.00 C ATOM 53 CD2 LEU A 4 -11.201 17.672 -1.423 1.00 0.00 C ATOM 0 H LEU A 4 -11.662 16.360 0.755 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.500 14.345 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.828 15.259 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.577 15.206 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.339 17.725 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.964 18.554 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.897 17.186 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.323 16.932 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.195 18.737 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.660 17.123 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.772 17.504 -0.510 1.00 0.00 H new ATOM 65 N GLU A 5 -9.502 17.025 2.303 1.00 0.00 N ATOM 66 CA GLU A 5 -8.864 18.036 3.146 1.00 0.00 C ATOM 67 C GLU A 5 -7.372 17.793 3.399 1.00 0.00 C ATOM 68 O GLU A 5 -6.555 18.655 3.073 1.00 0.00 O ATOM 69 CB GLU A 5 -9.624 18.145 4.473 1.00 0.00 C ATOM 70 CG GLU A 5 -11.117 17.843 4.354 1.00 0.00 C ATOM 71 CD GLU A 5 -11.828 18.705 3.322 1.00 0.00 C ATOM 72 OE1 GLU A 5 -11.930 18.281 2.151 1.00 0.00 O ATOM 73 OE2 GLU A 5 -12.288 19.809 3.677 1.00 0.00 O ATOM 0 H GLU A 5 -10.492 16.904 2.515 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.914 18.976 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.180 17.458 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.497 19.151 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.248 16.793 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.588 17.990 5.326 1.00 0.00 H new ATOM 80 N GLN A 6 -7.011 16.626 3.943 1.00 0.00 N ATOM 81 CA GLN A 6 -5.596 16.331 4.240 1.00 0.00 C ATOM 82 C GLN A 6 -5.411 14.943 4.858 1.00 0.00 C ATOM 83 O GLN A 6 -4.425 14.679 5.547 1.00 0.00 O ATOM 84 CB GLN A 6 -4.993 17.401 5.178 1.00 0.00 C ATOM 85 CG GLN A 6 -5.426 17.316 6.646 1.00 0.00 C ATOM 86 CD GLN A 6 -6.893 17.635 6.864 1.00 0.00 C ATOM 87 OE1 GLN A 6 -7.299 18.798 6.845 1.00 0.00 O ATOM 88 NE2 GLN A 6 -7.686 16.608 7.117 1.00 0.00 N ATOM 0 H GLN A 6 -7.662 15.879 4.185 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.068 16.348 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.906 17.326 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.261 18.386 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.221 16.313 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.821 18.005 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.308 15.661 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.676 16.763 7.306 1.00 0.00 H new ATOM 97 N GLU A 7 -6.336 14.048 4.567 1.00 0.00 N ATOM 98 CA GLU A 7 -6.302 12.695 5.118 1.00 0.00 C ATOM 99 C GLU A 7 -5.419 11.768 4.295 1.00 0.00 C ATOM 100 O GLU A 7 -4.927 10.763 4.797 1.00 0.00 O ATOM 101 CB GLU A 7 -7.716 12.129 5.153 1.00 0.00 C ATOM 102 CG GLU A 7 -8.770 13.165 4.833 1.00 0.00 C ATOM 103 CD GLU A 7 -9.280 13.866 6.074 1.00 0.00 C ATOM 104 OE1 GLU A 7 -9.178 13.280 7.173 1.00 0.00 O ATOM 105 OE2 GLU A 7 -9.761 15.009 5.959 1.00 0.00 O ATOM 0 H GLU A 7 -7.127 14.230 3.949 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.885 12.756 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.792 11.308 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.911 11.712 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.355 13.903 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.604 12.686 4.320 1.00 0.00 H new ATOM 112 N PHE A 8 -5.174 12.140 3.051 1.00 0.00 N ATOM 113 CA PHE A 8 -4.404 11.313 2.152 1.00 0.00 C ATOM 114 C PHE A 8 -3.162 12.067 1.807 1.00 0.00 C ATOM 115 O PHE A 8 -3.014 12.569 0.693 1.00 0.00 O ATOM 116 CB PHE A 8 -5.184 11.014 0.866 1.00 0.00 C ATOM 117 CG PHE A 8 -6.674 11.026 1.032 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.386 9.852 1.225 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.363 12.228 0.997 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.758 9.887 1.377 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.727 12.263 1.148 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.426 11.096 1.341 1.00 0.00 C ATOM 0 H PHE A 8 -5.501 13.016 2.643 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.177 10.362 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.908 11.748 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.880 10.038 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.865 8.906 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.820 13.149 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.309 8.970 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.250 13.207 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.499 11.124 1.465 1.00 0.00 H new ATOM 132 N ALA A 9 -2.287 12.192 2.769 1.00 0.00 N ATOM 133 CA ALA A 9 -1.098 12.924 2.558 1.00 0.00 C ATOM 134 C ALA A 9 -0.013 12.482 3.513 1.00 0.00 C ATOM 135 O ALA A 9 -0.041 11.376 4.052 1.00 0.00 O ATOM 136 CB ALA A 9 -1.393 14.411 2.682 1.00 0.00 C ATOM 0 H ALA A 9 -2.388 11.791 3.701 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.727 12.729 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.477 14.979 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.135 14.698 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.779 14.623 3.679 1.00 0.00 H new ATOM 142 N LEU A 10 0.908 13.376 3.712 1.00 0.00 N ATOM 143 CA LEU A 10 2.079 13.146 4.538 1.00 0.00 C ATOM 144 C LEU A 10 1.737 12.753 5.971 1.00 0.00 C ATOM 145 O LEU A 10 1.263 13.580 6.758 1.00 0.00 O ATOM 146 CB LEU A 10 2.920 14.404 4.536 1.00 0.00 C ATOM 147 CG LEU A 10 3.800 14.603 3.294 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.119 15.516 2.287 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.156 15.170 3.683 1.00 0.00 C ATOM 0 H LEU A 10 0.876 14.309 3.301 1.00 0.00 H new ATOM 0 HA LEU A 10 2.626 12.304 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.258 15.264 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.561 14.394 5.417 1.00 0.00 H new ATOM 0 HG LEU A 10 3.949 13.628 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.762 15.641 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.172 15.074 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.934 16.488 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.765 15.304 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.020 16.132 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.657 14.481 4.363 1.00 0.00 H new ATOM 161 N GLY A 11 1.973 11.481 6.293 1.00 0.00 N ATOM 162 CA GLY A 11 1.734 10.982 7.629 1.00 0.00 C ATOM 163 C GLY A 11 0.271 11.002 7.993 1.00 0.00 C ATOM 164 O GLY A 11 -0.088 11.105 9.169 1.00 0.00 O ATOM 0 H GLY A 11 2.330 10.784 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.112 9.963 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.293 11.585 8.345 1.00 0.00 H new ATOM 168 N GLY A 12 -0.569 10.922 6.976 1.00 0.00 N ATOM 169 CA GLY A 12 -1.991 10.927 7.191 1.00 0.00 C ATOM 170 C GLY A 12 -2.519 9.538 7.450 1.00 0.00 C ATOM 171 O GLY A 12 -1.933 8.550 6.999 1.00 0.00 O ATOM 0 H GLY A 12 -0.285 10.853 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.229 11.571 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.490 11.350 6.319 1.00 0.00 H new ATOM 175 N ARG A 13 -3.606 9.452 8.190 1.00 0.00 N ATOM 176 CA ARG A 13 -4.209 8.168 8.484 1.00 0.00 C ATOM 177 C ARG A 13 -5.406 7.958 7.569 1.00 0.00 C ATOM 178 O ARG A 13 -6.318 8.788 7.509 1.00 0.00 O ATOM 179 CB ARG A 13 -4.619 8.063 9.962 1.00 0.00 C ATOM 180 CG ARG A 13 -5.767 8.976 10.361 1.00 0.00 C ATOM 181 CD ARG A 13 -5.269 10.284 10.952 1.00 0.00 C ATOM 182 NE ARG A 13 -6.263 11.352 10.842 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.503 12.250 11.793 1.00 0.00 C ATOM 184 NH1 ARG A 13 -5.862 12.189 12.954 1.00 0.00 N ATOM 185 NH2 ARG A 13 -7.385 13.214 11.587 1.00 0.00 N ATOM 0 H ARG A 13 -4.088 10.253 8.597 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.474 7.384 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.899 7.032 10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.754 8.294 10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.386 9.184 9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.401 8.467 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.014 10.133 12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.354 10.587 10.442 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.807 11.412 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.180 11.450 13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.052 12.882 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.882 13.269 10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.568 13.902 12.317 1.00 0.00 H new ATOM 199 N CYS A 14 -5.385 6.869 6.831 1.00 0.00 N ATOM 200 CA CYS A 14 -6.457 6.557 5.917 1.00 0.00 C ATOM 201 C CYS A 14 -6.698 5.063 5.869 1.00 0.00 C ATOM 202 O CYS A 14 -5.960 4.283 6.475 1.00 0.00 O ATOM 203 CB CYS A 14 -6.135 7.082 4.519 1.00 0.00 C ATOM 204 SG CYS A 14 -6.851 8.702 4.182 1.00 0.00 S ATOM 0 H CYS A 14 -4.631 6.182 6.848 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.364 7.044 6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.053 7.139 4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.500 6.370 3.778 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.690 8.995 2.926 1.00 0.00 H new ATOM 210 N LEU A 15 -7.736 4.679 5.160 1.00 0.00 N ATOM 211 CA LEU A 15 -8.073 3.284 5.003 1.00 0.00 C ATOM 212 C LEU A 15 -7.727 2.874 3.594 1.00 0.00 C ATOM 213 O LEU A 15 -7.642 3.718 2.713 1.00 0.00 O ATOM 214 CB LEU A 15 -9.553 3.049 5.285 1.00 0.00 C ATOM 215 CG LEU A 15 -9.941 3.147 6.759 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.441 3.022 6.918 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.227 2.082 7.575 1.00 0.00 C ATOM 0 H LEU A 15 -8.366 5.321 4.679 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.508 2.683 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.137 3.775 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.828 2.061 4.915 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.633 4.124 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.702 3.094 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.933 3.823 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.769 2.059 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.518 2.170 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.501 1.095 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.149 2.217 7.485 1.00 0.00 H new ATOM 229 N ALA A 16 -7.521 1.606 3.367 1.00 0.00 N ATOM 230 CA ALA A 16 -7.177 1.148 2.040 1.00 0.00 C ATOM 231 C ALA A 16 -7.737 -0.236 1.831 1.00 0.00 C ATOM 232 O ALA A 16 -7.982 -0.961 2.794 1.00 0.00 O ATOM 233 CB ALA A 16 -5.670 1.192 1.815 1.00 0.00 C ATOM 0 H ALA A 16 -7.583 0.873 4.074 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.620 1.817 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.442 0.842 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.314 2.216 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.174 0.550 2.543 1.00 0.00 H new ATOM 239 N PHE A 17 -7.945 -0.602 0.587 1.00 0.00 N ATOM 240 CA PHE A 17 -8.523 -1.889 0.284 1.00 0.00 C ATOM 241 C PHE A 17 -7.496 -2.880 -0.227 1.00 0.00 C ATOM 242 O PHE A 17 -7.065 -2.807 -1.379 1.00 0.00 O ATOM 243 CB PHE A 17 -9.638 -1.734 -0.742 1.00 0.00 C ATOM 244 CG PHE A 17 -11.004 -1.701 -0.126 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.608 -2.873 0.300 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.689 -0.506 0.023 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.867 -2.858 0.864 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.948 -0.483 0.587 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.539 -1.662 1.007 1.00 0.00 C ATOM 0 H PHE A 17 -7.723 -0.029 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.926 -2.285 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.479 -0.816 -1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.586 -2.559 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.086 -3.812 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.233 0.416 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.325 -3.779 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.472 0.454 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.525 -1.645 1.446 1.00 0.00 H new ATOM 259 N HIS A 18 -7.103 -3.795 0.640 1.00 0.00 N ATOM 260 CA HIS A 18 -6.179 -4.843 0.266 1.00 0.00 C ATOM 261 C HIS A 18 -6.990 -6.117 0.164 1.00 0.00 C ATOM 262 O HIS A 18 -7.564 -6.588 1.155 1.00 0.00 O ATOM 263 CB HIS A 18 -5.037 -4.998 1.271 1.00 0.00 C ATOM 264 CG HIS A 18 -3.748 -5.441 0.634 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.603 -6.700 0.106 1.00 0.00 N ATOM 266 CD2 HIS A 18 -2.592 -4.754 0.455 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.373 -6.749 -0.381 1.00 0.00 C ATOM 268 NE2 HIS A 18 -1.723 -5.594 -0.193 1.00 0.00 N ATOM 0 H HIS A 18 -7.412 -3.831 1.611 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.701 -4.599 -0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.876 -4.047 1.779 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.327 -5.722 2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.394 -3.738 0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.947 -7.613 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.767 -5.380 -0.477 1.00 0.00 H new ATOM 276 N GLY A 19 -7.084 -6.645 -1.040 1.00 0.00 N ATOM 277 CA GLY A 19 -7.884 -7.820 -1.254 1.00 0.00 C ATOM 278 C GLY A 19 -9.353 -7.469 -1.159 1.00 0.00 C ATOM 279 O GLY A 19 -9.855 -6.696 -1.976 1.00 0.00 O ATOM 0 H GLY A 19 -6.620 -6.280 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.666 -8.245 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.634 -8.580 -0.514 1.00 0.00 H new ATOM 283 N PRO A 20 -10.076 -8.025 -0.178 1.00 0.00 N ATOM 284 CA PRO A 20 -11.487 -7.748 0.027 1.00 0.00 C ATOM 285 C PRO A 20 -11.795 -6.812 1.200 1.00 0.00 C ATOM 286 O PRO A 20 -12.952 -6.436 1.391 1.00 0.00 O ATOM 287 CB PRO A 20 -12.021 -9.136 0.358 1.00 0.00 C ATOM 288 CG PRO A 20 -10.861 -9.889 0.963 1.00 0.00 C ATOM 289 CD PRO A 20 -9.615 -9.054 0.753 1.00 0.00 C ATOM 0 HA PRO A 20 -11.918 -7.244 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.856 -9.078 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.389 -9.637 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.030 -10.064 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.751 -10.866 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.253 -8.624 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.798 -9.642 0.335 1.00 0.00 H new ATOM 297 N LEU A 21 -10.791 -6.417 1.980 1.00 0.00 N ATOM 298 CA LEU A 21 -11.077 -5.586 3.144 1.00 0.00 C ATOM 299 C LEU A 21 -10.301 -4.286 3.229 1.00 0.00 C ATOM 300 O LEU A 21 -9.284 -4.078 2.568 1.00 0.00 O ATOM 301 CB LEU A 21 -10.839 -6.378 4.427 1.00 0.00 C ATOM 302 CG LEU A 21 -11.994 -7.285 4.839 1.00 0.00 C ATOM 303 CD1 LEU A 21 -11.922 -7.609 6.316 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.323 -6.634 4.526 1.00 0.00 C ATOM 0 H LEU A 21 -9.808 -6.648 1.835 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.124 -5.306 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.944 -6.987 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.637 -5.678 5.238 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.910 -8.211 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.755 -8.257 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.982 -8.117 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.976 -6.686 6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.133 -7.298 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.404 -5.692 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.391 -6.442 3.455 1.00 0.00 H new ATOM 316 N MET A 22 -10.836 -3.427 4.089 1.00 0.00 N ATOM 317 CA MET A 22 -10.277 -2.127 4.389 1.00 0.00 C ATOM 318 C MET A 22 -9.377 -2.244 5.607 1.00 0.00 C ATOM 319 O MET A 22 -9.764 -2.842 6.610 1.00 0.00 O ATOM 320 CB MET A 22 -11.400 -1.116 4.671 1.00 0.00 C ATOM 321 CG MET A 22 -11.368 0.089 3.745 1.00 0.00 C ATOM 322 SD MET A 22 -12.599 1.334 4.169 1.00 0.00 S ATOM 323 CE MET A 22 -14.116 0.518 3.679 1.00 0.00 C ATOM 0 H MET A 22 -11.692 -3.626 4.607 1.00 0.00 H new ATOM 0 HA MET A 22 -9.700 -1.777 3.533 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.363 -1.616 4.572 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.322 -0.775 5.703 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.376 0.540 3.779 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.533 -0.243 2.720 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.907 0.763 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.405 0.854 2.683 1.00 0.00 H new ATOM 0 HE3 MET A 22 -13.961 -0.561 3.667 1.00 0.00 H new ATOM 333 N TYR A 23 -8.181 -1.702 5.519 1.00 0.00 N ATOM 334 CA TYR A 23 -7.247 -1.759 6.631 1.00 0.00 C ATOM 335 C TYR A 23 -6.723 -0.373 6.963 1.00 0.00 C ATOM 336 O TYR A 23 -6.583 0.467 6.076 1.00 0.00 O ATOM 337 CB TYR A 23 -6.075 -2.683 6.294 1.00 0.00 C ATOM 338 CG TYR A 23 -6.452 -4.145 6.177 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.751 -4.895 7.307 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.512 -4.778 4.937 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.097 -6.228 7.209 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.858 -6.113 4.833 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.151 -6.832 5.973 1.00 0.00 C ATOM 344 OH TYR A 23 -7.500 -8.160 5.878 1.00 0.00 O ATOM 0 H TYR A 23 -7.830 -1.217 4.693 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.777 -2.153 7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.629 -2.358 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.310 -2.577 7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.712 -4.427 8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.285 -4.217 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.325 -6.795 8.099 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.899 -6.590 3.865 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.492 -8.434 4.937 1.00 0.00 H new ATOM 354 N GLU A 24 -6.469 -0.132 8.246 1.00 0.00 N ATOM 355 CA GLU A 24 -5.928 1.144 8.692 1.00 0.00 C ATOM 356 C GLU A 24 -4.501 1.268 8.187 1.00 0.00 C ATOM 357 O GLU A 24 -3.777 0.272 8.121 1.00 0.00 O ATOM 358 CB GLU A 24 -5.954 1.249 10.220 1.00 0.00 C ATOM 359 CG GLU A 24 -7.353 1.315 10.809 1.00 0.00 C ATOM 360 CD GLU A 24 -7.349 1.424 12.325 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.603 0.399 12.994 1.00 0.00 O ATOM 362 OE2 GLU A 24 -7.105 2.535 12.848 1.00 0.00 O ATOM 0 H GLU A 24 -6.630 -0.806 8.995 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.541 1.952 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.433 0.390 10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.401 2.138 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.879 2.172 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.909 0.425 10.515 1.00 0.00 H new ATOM 369 N ALA A 25 -4.092 2.464 7.813 1.00 0.00 N ATOM 370 CA ALA A 25 -2.748 2.651 7.310 1.00 0.00 C ATOM 371 C ALA A 25 -2.213 4.052 7.556 1.00 0.00 C ATOM 372 O ALA A 25 -2.970 5.014 7.698 1.00 0.00 O ATOM 373 CB ALA A 25 -2.709 2.332 5.831 1.00 0.00 C ATOM 0 H ALA A 25 -4.662 3.309 7.847 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.101 1.967 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.696 2.474 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.013 1.297 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.390 2.995 5.298 1.00 0.00 H new ATOM 379 N LYS A 26 -0.892 4.133 7.595 1.00 0.00 N ATOM 380 CA LYS A 26 -0.174 5.376 7.795 1.00 0.00 C ATOM 381 C LYS A 26 0.591 5.697 6.522 1.00 0.00 C ATOM 382 O LYS A 26 1.477 4.939 6.116 1.00 0.00 O ATOM 383 CB LYS A 26 0.779 5.234 8.986 1.00 0.00 C ATOM 384 CG LYS A 26 1.439 6.533 9.413 1.00 0.00 C ATOM 385 CD LYS A 26 2.536 6.276 10.433 1.00 0.00 C ATOM 386 CE LYS A 26 3.540 7.413 10.472 1.00 0.00 C ATOM 387 NZ LYS A 26 3.516 8.126 11.773 1.00 0.00 N ATOM 0 H LYS A 26 -0.282 3.323 7.487 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.867 6.189 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.227 4.825 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.555 4.512 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.858 7.036 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.691 7.202 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.093 6.147 11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.049 5.345 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.541 7.020 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.324 8.117 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.216 8.895 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.568 8.522 11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.747 7.460 12.538 1.00 0.00 H new ATOM 401 N ILE A 27 0.221 6.795 5.879 1.00 0.00 N ATOM 402 CA ILE A 27 0.856 7.204 4.633 1.00 0.00 C ATOM 403 C ILE A 27 2.246 7.770 4.880 1.00 0.00 C ATOM 404 O ILE A 27 2.411 8.781 5.560 1.00 0.00 O ATOM 405 CB ILE A 27 -0.021 8.220 3.861 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.463 7.701 3.772 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.549 8.442 2.470 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.475 8.699 3.243 1.00 0.00 C ATOM 0 H ILE A 27 -0.518 7.421 6.200 1.00 0.00 H new ATOM 0 HA ILE A 27 0.961 6.313 4.014 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.023 9.171 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.476 6.819 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.778 7.379 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.073 9.158 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.564 8.831 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.565 7.496 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.462 8.238 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.499 9.573 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.192 9.005 2.236 1.00 0.00 H new ATOM 420 N LEU A 28 3.238 7.096 4.312 1.00 0.00 N ATOM 421 CA LEU A 28 4.627 7.484 4.470 1.00 0.00 C ATOM 422 C LEU A 28 5.151 8.239 3.249 1.00 0.00 C ATOM 423 O LEU A 28 6.054 9.068 3.364 1.00 0.00 O ATOM 424 CB LEU A 28 5.484 6.245 4.716 1.00 0.00 C ATOM 425 CG LEU A 28 6.545 6.419 5.793 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.015 5.954 7.140 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.822 5.678 5.421 1.00 0.00 C ATOM 0 H LEU A 28 3.100 6.269 3.732 1.00 0.00 H new ATOM 0 HA LEU A 28 4.688 8.155 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.832 5.417 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.973 5.965 3.783 1.00 0.00 H new ATOM 0 HG LEU A 28 6.787 7.479 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.786 6.085 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.138 6.542 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.741 4.901 7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.565 5.817 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.607 4.615 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.209 6.070 4.481 1.00 0.00 H new ATOM 439 N LYS A 29 4.613 7.939 2.073 1.00 0.00 N ATOM 440 CA LYS A 29 5.042 8.619 0.857 1.00 0.00 C ATOM 441 C LYS A 29 3.841 9.007 0.010 1.00 0.00 C ATOM 442 O LYS A 29 2.876 8.257 -0.093 1.00 0.00 O ATOM 443 CB LYS A 29 5.956 7.740 -0.011 1.00 0.00 C ATOM 444 CG LYS A 29 7.166 7.137 0.691 1.00 0.00 C ATOM 445 CD LYS A 29 8.188 6.665 -0.334 1.00 0.00 C ATOM 446 CE LYS A 29 9.281 5.803 0.283 1.00 0.00 C ATOM 447 NZ LYS A 29 10.318 5.422 -0.719 1.00 0.00 N ATOM 0 H LYS A 29 3.886 7.237 1.936 1.00 0.00 H new ATOM 0 HA LYS A 29 5.594 9.501 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.359 6.928 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.309 8.337 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.618 7.877 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.853 6.300 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.680 6.098 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.642 7.532 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.751 6.344 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.837 4.902 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.863 4.611 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.857 5.163 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.958 6.226 -0.879 1.00 0.00 H new ATOM 461 N ILE A 30 3.906 10.182 -0.587 1.00 0.00 N ATOM 462 CA ILE A 30 2.856 10.660 -1.474 1.00 0.00 C ATOM 463 C ILE A 30 3.361 10.518 -2.891 1.00 0.00 C ATOM 464 O ILE A 30 4.541 10.674 -3.112 1.00 0.00 O ATOM 465 CB ILE A 30 2.490 12.136 -1.194 1.00 0.00 C ATOM 466 CG1 ILE A 30 2.209 12.354 0.288 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.296 12.547 -2.028 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.284 11.326 0.877 1.00 0.00 C ATOM 0 H ILE A 30 4.684 10.832 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 30 1.952 10.073 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 30 3.340 12.759 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.152 12.340 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.775 13.344 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.049 13.588 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.535 12.434 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.443 11.915 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.127 11.541 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.328 11.355 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.726 10.335 0.770 1.00 0.00 H new ATOM 480 N TRP A 31 2.503 10.226 -3.845 1.00 0.00 N ATOM 481 CA TRP A 31 2.969 10.032 -5.204 1.00 0.00 C ATOM 482 C TRP A 31 2.266 10.928 -6.207 1.00 0.00 C ATOM 483 O TRP A 31 1.037 10.971 -6.242 1.00 0.00 O ATOM 484 CB TRP A 31 2.722 8.602 -5.614 1.00 0.00 C ATOM 485 CG TRP A 31 3.025 8.365 -7.045 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.165 8.411 -8.098 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.291 8.073 -7.571 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.833 8.122 -9.262 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.145 7.906 -8.957 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.539 7.923 -6.989 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.211 7.588 -9.773 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.597 7.612 -7.798 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.425 7.443 -9.178 1.00 0.00 C ATOM 0 H TRP A 31 1.498 10.119 -3.711 1.00 0.00 H new ATOM 0 HA TRP A 31 4.030 10.283 -5.209 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.334 7.940 -5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.681 8.345 -5.418 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.112 8.641 -8.029 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.420 8.077 -10.194 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.673 8.048 -5.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.087 7.460 -10.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.580 7.495 -7.366 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.281 7.190 -9.786 1.00 0.00 H new ATOM 504 N ASP A 32 3.049 11.572 -7.066 1.00 0.00 N ATOM 505 CA ASP A 32 2.501 12.435 -8.101 1.00 0.00 C ATOM 506 C ASP A 32 2.723 11.795 -9.472 1.00 0.00 C ATOM 507 O ASP A 32 3.857 11.676 -9.941 1.00 0.00 O ATOM 508 CB ASP A 32 3.136 13.818 -8.047 1.00 0.00 C ATOM 509 CG ASP A 32 2.282 14.853 -8.741 1.00 0.00 C ATOM 510 OD1 ASP A 32 2.541 15.149 -9.927 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.335 15.364 -8.104 1.00 0.00 O ATOM 0 H ASP A 32 4.067 11.511 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 32 1.431 12.553 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.287 14.109 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.120 13.785 -8.515 1.00 0.00 H new ATOM 516 N PRO A 33 1.631 11.408 -10.141 1.00 0.00 N ATOM 517 CA PRO A 33 1.672 10.719 -11.446 1.00 0.00 C ATOM 518 C PRO A 33 2.094 11.592 -12.624 1.00 0.00 C ATOM 519 O PRO A 33 2.041 11.157 -13.772 1.00 0.00 O ATOM 520 CB PRO A 33 0.223 10.277 -11.639 1.00 0.00 C ATOM 521 CG PRO A 33 -0.578 11.275 -10.882 1.00 0.00 C ATOM 522 CD PRO A 33 0.248 11.636 -9.685 1.00 0.00 C ATOM 0 HA PRO A 33 2.416 9.922 -11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.051 10.267 -12.694 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.062 9.268 -11.258 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.787 12.153 -11.493 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.540 10.859 -10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.090 12.672 -9.385 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.001 11.014 -8.824 1.00 0.00 H new ATOM 530 N SER A 34 2.505 12.812 -12.345 1.00 0.00 N ATOM 531 CA SER A 34 2.909 13.723 -13.404 1.00 0.00 C ATOM 532 C SER A 34 4.419 13.704 -13.575 1.00 0.00 C ATOM 533 O SER A 34 4.929 13.494 -14.677 1.00 0.00 O ATOM 534 CB SER A 34 2.416 15.142 -13.117 1.00 0.00 C ATOM 535 OG SER A 34 2.003 15.790 -14.311 1.00 0.00 O ATOM 0 H SER A 34 2.569 13.197 -11.402 1.00 0.00 H new ATOM 0 HA SER A 34 2.453 13.388 -14.336 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.585 15.106 -12.413 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.211 15.718 -12.643 1.00 0.00 H new ATOM 0 HG SER A 34 1.691 16.695 -14.101 1.00 0.00 H new ATOM 541 N SER A 35 5.133 13.931 -12.482 1.00 0.00 N ATOM 542 CA SER A 35 6.582 13.936 -12.515 1.00 0.00 C ATOM 543 C SER A 35 7.113 12.534 -12.265 1.00 0.00 C ATOM 544 O SER A 35 8.221 12.211 -12.682 1.00 0.00 O ATOM 545 CB SER A 35 7.127 14.907 -11.473 1.00 0.00 C ATOM 546 OG SER A 35 6.255 16.009 -11.297 1.00 0.00 O ATOM 0 H SER A 35 4.729 14.114 -11.563 1.00 0.00 H new ATOM 0 HA SER A 35 6.914 14.263 -13.500 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.260 14.389 -10.523 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.110 15.263 -11.782 1.00 0.00 H new ATOM 0 HG SER A 35 6.626 16.616 -10.623 1.00 0.00 H new ATOM 552 N LYS A 36 6.310 11.737 -11.541 1.00 0.00 N ATOM 553 CA LYS A 36 6.617 10.349 -11.200 1.00 0.00 C ATOM 554 C LYS A 36 7.542 10.344 -9.992 1.00 0.00 C ATOM 555 O LYS A 36 8.306 9.415 -9.715 1.00 0.00 O ATOM 556 CB LYS A 36 7.162 9.540 -12.388 1.00 0.00 C ATOM 557 CG LYS A 36 8.668 9.446 -12.415 1.00 0.00 C ATOM 558 CD LYS A 36 9.149 8.164 -13.076 1.00 0.00 C ATOM 559 CE LYS A 36 8.401 7.888 -14.368 1.00 0.00 C ATOM 560 NZ LYS A 36 8.852 6.624 -15.007 1.00 0.00 N ATOM 0 H LYS A 36 5.413 12.051 -11.172 1.00 0.00 H new ATOM 0 HA LYS A 36 5.693 9.833 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.744 8.534 -12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.818 9.997 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.075 10.304 -12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.052 9.494 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.217 8.238 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.014 7.327 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.332 7.831 -14.164 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.550 8.718 -15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.318 6.470 -15.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.867 6.688 -15.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.687 5.829 -14.358 1.00 0.00 H new ATOM 574 N MET A 37 7.446 11.422 -9.267 1.00 0.00 N ATOM 575 CA MET A 37 8.165 11.590 -8.068 1.00 0.00 C ATOM 576 C MET A 37 7.199 11.283 -6.958 1.00 0.00 C ATOM 577 O MET A 37 6.005 11.080 -7.196 1.00 0.00 O ATOM 578 CB MET A 37 8.723 13.013 -7.937 1.00 0.00 C ATOM 579 CG MET A 37 7.723 14.109 -8.269 1.00 0.00 C ATOM 580 SD MET A 37 6.578 14.463 -6.923 1.00 0.00 S ATOM 581 CE MET A 37 5.860 16.002 -7.495 1.00 0.00 C ATOM 0 H MET A 37 6.851 12.214 -9.510 1.00 0.00 H new ATOM 0 HA MET A 37 9.030 10.928 -8.038 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.079 13.159 -6.917 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.587 13.114 -8.594 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.265 15.020 -8.525 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.155 13.817 -9.152 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.127 16.354 -6.769 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.645 16.749 -7.610 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.370 15.840 -8.455 1.00 0.00 H new ATOM 591 N TYR A 38 7.691 11.287 -5.773 1.00 0.00 N ATOM 592 CA TYR A 38 6.890 10.992 -4.638 1.00 0.00 C ATOM 593 C TYR A 38 7.429 11.813 -3.482 1.00 0.00 C ATOM 594 O TYR A 38 8.617 12.149 -3.468 1.00 0.00 O ATOM 595 CB TYR A 38 6.921 9.493 -4.324 1.00 0.00 C ATOM 596 CG TYR A 38 8.294 8.923 -4.074 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.874 9.010 -2.821 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.996 8.278 -5.079 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.115 8.473 -2.570 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.240 7.741 -4.839 1.00 0.00 C ATOM 601 CZ TYR A 38 10.796 7.839 -3.584 1.00 0.00 C ATOM 602 OH TYR A 38 12.029 7.286 -3.340 1.00 0.00 O ATOM 0 H TYR A 38 8.666 11.496 -5.560 1.00 0.00 H new ATOM 0 HA TYR A 38 5.847 11.247 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.302 9.308 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.466 8.954 -5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.342 9.509 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.561 8.195 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.552 8.548 -1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.778 7.244 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 38 12.049 6.368 -3.682 1.00 0.00 H new ATOM 612 N THR A 39 6.589 12.166 -2.542 1.00 0.00 N ATOM 613 CA THR A 39 7.052 12.937 -1.418 1.00 0.00 C ATOM 614 C THR A 39 6.999 12.078 -0.171 1.00 0.00 C ATOM 615 O THR A 39 5.929 11.729 0.326 1.00 0.00 O ATOM 616 CB THR A 39 6.264 14.241 -1.249 1.00 0.00 C ATOM 617 OG1 THR A 39 4.930 13.986 -0.788 1.00 0.00 O ATOM 618 CG2 THR A 39 6.208 15.013 -2.561 1.00 0.00 C ATOM 0 H THR A 39 5.595 11.936 -2.532 1.00 0.00 H new ATOM 0 HA THR A 39 8.085 13.236 -1.599 1.00 0.00 H new ATOM 0 HB THR A 39 6.784 14.840 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.910 13.137 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.644 15.935 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.220 15.254 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.719 14.404 -3.321 1.00 0.00 H new ATOM 626 N SER A 40 8.170 11.721 0.310 1.00 0.00 N ATOM 627 CA SER A 40 8.289 10.848 1.461 1.00 0.00 C ATOM 628 C SER A 40 8.527 11.624 2.747 1.00 0.00 C ATOM 629 O SER A 40 8.760 12.829 2.741 1.00 0.00 O ATOM 630 CB SER A 40 9.438 9.856 1.228 1.00 0.00 C ATOM 631 OG SER A 40 9.437 8.816 2.193 1.00 0.00 O ATOM 0 H SER A 40 9.062 12.024 -0.081 1.00 0.00 H new ATOM 0 HA SER A 40 7.346 10.313 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.351 9.426 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.390 10.386 1.265 1.00 0.00 H new ATOM 0 HG SER A 40 10.264 8.296 2.114 1.00 0.00 H new ATOM 637 N ILE A 41 8.406 10.925 3.856 1.00 0.00 N ATOM 638 CA ILE A 41 8.662 11.512 5.155 1.00 0.00 C ATOM 639 C ILE A 41 9.464 10.523 5.987 1.00 0.00 C ATOM 640 O ILE A 41 9.106 9.348 6.074 1.00 0.00 O ATOM 641 CB ILE A 41 7.365 11.872 5.918 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.143 11.792 5.005 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.478 13.258 6.537 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.981 11.058 5.631 1.00 0.00 C ATOM 0 H ILE A 41 8.130 9.943 3.884 1.00 0.00 H new ATOM 0 HA ILE A 41 9.212 12.439 4.994 1.00 0.00 H new ATOM 0 HB ILE A 41 7.234 11.142 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.827 12.801 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.423 11.293 4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.557 13.495 7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.316 13.278 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.642 13.995 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.145 11.036 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.281 10.038 5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.677 11.570 6.544 1.00 0.00 H new ATOM 656 N PRO A 42 10.576 10.967 6.579 1.00 0.00 N ATOM 657 CA PRO A 42 11.421 10.108 7.403 1.00 0.00 C ATOM 658 C PRO A 42 10.715 9.672 8.682 1.00 0.00 C ATOM 659 O PRO A 42 10.359 10.499 9.523 1.00 0.00 O ATOM 660 CB PRO A 42 12.636 10.987 7.732 1.00 0.00 C ATOM 661 CG PRO A 42 12.561 12.137 6.787 1.00 0.00 C ATOM 662 CD PRO A 42 11.106 12.332 6.490 1.00 0.00 C ATOM 0 HA PRO A 42 11.685 9.185 6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.606 11.327 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.567 10.434 7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.993 13.035 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.121 11.930 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.631 12.999 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.948 12.765 5.502 1.00 0.00 H new ATOM 670 N ASN A 43 10.497 8.375 8.816 1.00 0.00 N ATOM 671 CA ASN A 43 9.847 7.828 9.995 1.00 0.00 C ATOM 672 C ASN A 43 10.884 7.525 11.066 1.00 0.00 C ATOM 673 O ASN A 43 11.588 6.517 10.986 1.00 0.00 O ATOM 674 CB ASN A 43 9.065 6.558 9.644 1.00 0.00 C ATOM 675 CG ASN A 43 8.454 5.897 10.869 1.00 0.00 C ATOM 676 OD1 ASN A 43 7.487 6.400 11.442 1.00 0.00 O ATOM 677 ND2 ASN A 43 9.009 4.764 11.275 1.00 0.00 N ATOM 0 H ASN A 43 10.762 7.678 8.120 1.00 0.00 H new ATOM 0 HA ASN A 43 9.144 8.568 10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.274 6.805 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.729 5.851 9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.636 4.276 12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.809 4.380 10.773 1.00 0.00 H new ATOM 684 N ASP A 44 10.997 8.431 12.036 1.00 0.00 N ATOM 685 CA ASP A 44 11.940 8.294 13.150 1.00 0.00 C ATOM 686 C ASP A 44 13.372 8.251 12.640 1.00 0.00 C ATOM 687 O ASP A 44 14.196 7.466 13.111 1.00 0.00 O ATOM 688 CB ASP A 44 11.636 7.034 13.970 1.00 0.00 C ATOM 689 CG ASP A 44 11.574 7.310 15.461 1.00 0.00 C ATOM 690 OD1 ASP A 44 10.470 7.221 16.041 1.00 0.00 O ATOM 691 OD2 ASP A 44 12.625 7.616 16.061 1.00 0.00 O ATOM 0 H ASP A 44 10.437 9.283 12.074 1.00 0.00 H new ATOM 0 HA ASP A 44 11.825 9.165 13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.686 6.612 13.642 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.402 6.284 13.774 1.00 0.00 H new ATOM 696 N LYS A 45 13.663 9.097 11.668 1.00 0.00 N ATOM 697 CA LYS A 45 14.989 9.149 11.077 1.00 0.00 C ATOM 698 C LYS A 45 15.637 10.512 11.276 1.00 0.00 C ATOM 699 O LYS A 45 15.255 11.487 10.627 1.00 0.00 O ATOM 700 CB LYS A 45 14.925 8.827 9.586 1.00 0.00 C ATOM 701 CG LYS A 45 14.632 7.367 9.292 1.00 0.00 C ATOM 702 CD LYS A 45 15.169 6.955 7.932 1.00 0.00 C ATOM 703 CE LYS A 45 16.672 7.192 7.835 1.00 0.00 C ATOM 704 NZ LYS A 45 17.274 6.523 6.652 1.00 0.00 N ATOM 0 H LYS A 45 12.997 9.759 11.270 1.00 0.00 H new ATOM 0 HA LYS A 45 15.599 8.401 11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.155 9.444 9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.874 9.099 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.079 6.742 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.556 7.197 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.953 5.901 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.659 7.519 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.866 8.263 7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.154 6.826 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.296 6.713 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.114 5.497 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.834 6.890 5.784 1.00 0.00 H new ATOM 718 N PRO A 46 16.627 10.597 12.173 1.00 0.00 N ATOM 719 CA PRO A 46 17.343 11.843 12.439 1.00 0.00 C ATOM 720 C PRO A 46 18.157 12.290 11.227 1.00 0.00 C ATOM 721 O PRO A 46 19.096 11.610 10.811 1.00 0.00 O ATOM 722 CB PRO A 46 18.277 11.493 13.606 1.00 0.00 C ATOM 723 CG PRO A 46 17.755 10.212 14.163 1.00 0.00 C ATOM 724 CD PRO A 46 17.120 9.495 13.009 1.00 0.00 C ATOM 0 HA PRO A 46 16.663 12.665 12.664 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.306 11.382 13.265 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.274 12.279 14.361 1.00 0.00 H new ATOM 0 HG2 PRO A 46 18.559 9.618 14.598 1.00 0.00 H new ATOM 0 HG3 PRO A 46 17.030 10.397 14.956 1.00 0.00 H new ATOM 0 HD2 PRO A 46 17.838 8.872 12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.311 8.841 13.335 1.00 0.00 H new ATOM 732 N GLY A 47 17.793 13.432 10.667 1.00 0.00 N ATOM 733 CA GLY A 47 18.489 13.951 9.503 1.00 0.00 C ATOM 734 C GLY A 47 19.606 14.905 9.885 1.00 0.00 C ATOM 735 O GLY A 47 19.826 15.916 9.216 1.00 0.00 O ATOM 0 H GLY A 47 17.024 14.014 10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.902 13.122 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.779 14.465 8.856 1.00 0.00 H new ATOM 739 N GLY A 48 20.323 14.571 10.956 1.00 0.00 N ATOM 740 CA GLY A 48 21.405 15.413 11.430 1.00 0.00 C ATOM 741 C GLY A 48 22.673 15.258 10.612 1.00 0.00 C ATOM 742 O GLY A 48 23.635 14.641 11.066 1.00 0.00 O ATOM 0 H GLY A 48 20.171 13.726 11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.086 16.455 11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 48 21.618 15.171 12.471 1.00 0.00 H new ATOM 746 N SER A 49 22.660 15.801 9.400 1.00 0.00 N ATOM 747 CA SER A 49 23.804 15.750 8.497 1.00 0.00 C ATOM 748 C SER A 49 23.637 16.811 7.416 1.00 0.00 C ATOM 749 O SER A 49 22.558 17.390 7.288 1.00 0.00 O ATOM 750 CB SER A 49 23.932 14.366 7.858 1.00 0.00 C ATOM 751 OG SER A 49 24.262 13.377 8.824 1.00 0.00 O ATOM 0 H SER A 49 21.853 16.291 9.015 1.00 0.00 H new ATOM 0 HA SER A 49 24.713 15.945 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 49 22.994 14.101 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.699 14.391 7.084 1.00 0.00 H new ATOM 0 HG SER A 49 24.432 13.807 9.688 1.00 0.00 H new ATOM 757 N SER A 50 24.690 17.051 6.641 1.00 0.00 N ATOM 758 CA SER A 50 24.661 18.053 5.581 1.00 0.00 C ATOM 759 C SER A 50 23.522 17.797 4.595 1.00 0.00 C ATOM 760 O SER A 50 22.679 18.668 4.369 1.00 0.00 O ATOM 761 CB SER A 50 26.003 18.075 4.846 1.00 0.00 C ATOM 762 OG SER A 50 27.086 18.101 5.767 1.00 0.00 O ATOM 0 H SER A 50 25.580 16.561 6.728 1.00 0.00 H new ATOM 0 HA SER A 50 24.486 19.025 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 50 26.086 17.197 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 50 26.052 18.949 4.196 1.00 0.00 H new ATOM 0 HG SER A 50 27.934 18.113 5.275 1.00 0.00 H new ATOM 768 N GLN A 51 23.490 16.605 4.014 1.00 0.00 N ATOM 769 CA GLN A 51 22.445 16.260 3.061 1.00 0.00 C ATOM 770 C GLN A 51 21.804 14.932 3.440 1.00 0.00 C ATOM 771 O GLN A 51 21.886 13.951 2.704 1.00 0.00 O ATOM 772 CB GLN A 51 23.008 16.193 1.641 1.00 0.00 C ATOM 773 CG GLN A 51 23.366 17.552 1.064 1.00 0.00 C ATOM 774 CD GLN A 51 23.734 17.486 -0.409 1.00 0.00 C ATOM 775 OE1 GLN A 51 24.380 16.406 -0.821 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 23.458 18.418 -1.167 1.00 0.00 N flip ATOM 0 H GLN A 51 24.171 15.865 4.185 1.00 0.00 H new ATOM 0 HA GLN A 51 21.683 17.038 3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 51 23.897 15.562 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 51 22.276 15.713 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 51 22.523 18.231 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.202 17.971 1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.959 19.234 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.729 18.374 -2.149 1.00 0.00 H new ATOM 785 N ALA A 52 21.173 14.912 4.603 1.00 0.00 N ATOM 786 CA ALA A 52 20.514 13.711 5.094 1.00 0.00 C ATOM 787 C ALA A 52 19.007 13.786 4.872 1.00 0.00 C ATOM 788 O ALA A 52 18.537 14.450 3.948 1.00 0.00 O ATOM 789 CB ALA A 52 20.830 13.500 6.568 1.00 0.00 C ATOM 0 H ALA A 52 21.103 15.716 5.227 1.00 0.00 H new ATOM 0 HA ALA A 52 20.894 12.858 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 52 20.330 12.598 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 52 21.907 13.393 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 52 20.479 14.358 7.142 1.00 0.00 H new ATOM 795 N THR A 53 18.259 13.120 5.741 1.00 0.00 N ATOM 796 CA THR A 53 16.805 13.083 5.664 1.00 0.00 C ATOM 797 C THR A 53 16.160 14.380 6.158 1.00 0.00 C ATOM 798 O THR A 53 14.976 14.403 6.494 1.00 0.00 O ATOM 799 CB THR A 53 16.279 11.916 6.513 1.00 0.00 C ATOM 800 OG1 THR A 53 17.309 11.481 7.415 1.00 0.00 O ATOM 801 CG2 THR A 53 15.841 10.750 5.637 1.00 0.00 C ATOM 0 H THR A 53 18.645 12.589 6.522 1.00 0.00 H new ATOM 0 HA THR A 53 16.540 12.955 4.614 1.00 0.00 H new ATOM 0 HB THR A 53 15.412 12.263 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.975 10.737 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.474 9.940 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.046 11.077 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.689 10.397 5.050 1.00 0.00 H new ATOM 809 N LYS A 54 16.929 15.457 6.180 1.00 0.00 N ATOM 810 CA LYS A 54 16.430 16.747 6.641 1.00 0.00 C ATOM 811 C LYS A 54 15.647 17.464 5.547 1.00 0.00 C ATOM 812 O LYS A 54 15.029 18.500 5.793 1.00 0.00 O ATOM 813 CB LYS A 54 17.593 17.627 7.110 1.00 0.00 C ATOM 814 CG LYS A 54 18.824 17.538 6.217 1.00 0.00 C ATOM 815 CD LYS A 54 19.572 18.862 6.153 1.00 0.00 C ATOM 816 CE LYS A 54 20.075 19.293 7.521 1.00 0.00 C ATOM 817 NZ LYS A 54 20.814 20.579 7.457 1.00 0.00 N ATOM 0 H LYS A 54 17.905 15.465 5.883 1.00 0.00 H new ATOM 0 HA LYS A 54 15.755 16.563 7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.259 18.664 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.869 17.340 8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.490 16.762 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.524 17.241 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.415 18.770 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.915 19.632 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.231 19.392 8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.726 18.520 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.141 20.839 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.634 20.477 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.186 21.323 7.091 1.00 0.00 H new ATOM 831 N GLU A 55 15.670 16.910 4.344 1.00 0.00 N ATOM 832 CA GLU A 55 14.973 17.506 3.213 1.00 0.00 C ATOM 833 C GLU A 55 14.403 16.442 2.293 1.00 0.00 C ATOM 834 O GLU A 55 15.135 15.589 1.789 1.00 0.00 O ATOM 835 CB GLU A 55 15.925 18.402 2.424 1.00 0.00 C ATOM 836 CG GLU A 55 15.817 19.871 2.788 1.00 0.00 C ATOM 837 CD GLU A 55 14.662 20.566 2.097 1.00 0.00 C ATOM 838 OE1 GLU A 55 13.842 19.886 1.448 1.00 0.00 O ATOM 839 OE2 GLU A 55 14.581 21.809 2.183 1.00 0.00 O ATOM 0 H GLU A 55 16.165 16.046 4.125 1.00 0.00 H new ATOM 0 HA GLU A 55 14.148 18.100 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.949 18.069 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.723 18.284 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.698 19.965 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.747 20.375 2.525 1.00 0.00 H new ATOM 846 N ILE A 56 13.094 16.480 2.091 1.00 0.00 N ATOM 847 CA ILE A 56 12.438 15.542 1.201 1.00 0.00 C ATOM 848 C ILE A 56 11.942 16.266 -0.027 1.00 0.00 C ATOM 849 O ILE A 56 10.847 16.837 -0.042 1.00 0.00 O ATOM 850 CB ILE A 56 11.263 14.795 1.849 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.724 14.056 3.114 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.667 13.823 0.837 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.744 12.959 2.856 1.00 0.00 C ATOM 0 H ILE A 56 12.467 17.152 2.533 1.00 0.00 H new ATOM 0 HA ILE A 56 13.187 14.794 0.941 1.00 0.00 H new ATOM 0 HB ILE A 56 10.498 15.512 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.152 14.779 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.854 13.620 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.832 13.290 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.313 14.376 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.429 13.107 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.017 12.487 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.314 12.213 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.633 13.390 2.395 1.00 0.00 H new ATOM 865 N LYS A 57 12.776 16.271 -1.036 1.00 0.00 N ATOM 866 CA LYS A 57 12.434 16.882 -2.297 1.00 0.00 C ATOM 867 C LYS A 57 11.685 15.845 -3.114 1.00 0.00 C ATOM 868 O LYS A 57 11.958 14.650 -2.958 1.00 0.00 O ATOM 869 CB LYS A 57 13.697 17.320 -3.052 1.00 0.00 C ATOM 870 CG LYS A 57 14.700 18.093 -2.211 1.00 0.00 C ATOM 871 CD LYS A 57 14.346 19.564 -2.137 1.00 0.00 C ATOM 872 CE LYS A 57 15.448 20.361 -1.462 1.00 0.00 C ATOM 873 NZ LYS A 57 15.085 21.793 -1.316 1.00 0.00 N ATOM 0 H LYS A 57 13.707 15.854 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 57 11.823 17.769 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.188 16.435 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.402 17.937 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.732 17.674 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.697 17.979 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.177 19.951 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.414 19.689 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.653 19.936 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.366 20.277 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.863 22.303 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.914 22.205 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.223 21.876 -0.739 1.00 0.00 H new ATOM 887 N PRO A 58 10.702 16.253 -3.937 1.00 0.00 N ATOM 888 CA PRO A 58 9.967 15.317 -4.782 1.00 0.00 C ATOM 889 C PRO A 58 10.950 14.462 -5.577 1.00 0.00 C ATOM 890 O PRO A 58 11.549 14.915 -6.551 1.00 0.00 O ATOM 891 CB PRO A 58 9.127 16.211 -5.703 1.00 0.00 C ATOM 892 CG PRO A 58 9.555 17.615 -5.430 1.00 0.00 C ATOM 893 CD PRO A 58 10.213 17.626 -4.079 1.00 0.00 C ATOM 0 HA PRO A 58 9.342 14.625 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.289 15.952 -6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.063 16.083 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.247 17.962 -6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.698 18.288 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.026 18.350 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.508 17.887 -3.289 1.00 0.00 H new ATOM 901 N GLN A 59 11.105 13.222 -5.146 1.00 0.00 N ATOM 902 CA GLN A 59 12.060 12.315 -5.757 1.00 0.00 C ATOM 903 C GLN A 59 11.390 11.374 -6.723 1.00 0.00 C ATOM 904 O GLN A 59 10.380 10.760 -6.402 1.00 0.00 O ATOM 905 CB GLN A 59 12.794 11.509 -4.686 1.00 0.00 C ATOM 906 CG GLN A 59 13.935 12.262 -4.025 1.00 0.00 C ATOM 907 CD GLN A 59 14.196 11.782 -2.613 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.980 10.857 -2.388 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.546 12.412 -1.648 1.00 0.00 N ATOM 0 H GLN A 59 10.578 12.819 -4.371 1.00 0.00 H new ATOM 0 HA GLN A 59 12.777 12.922 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.080 11.205 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.186 10.597 -5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.840 12.142 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.703 13.327 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.906 13.173 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.685 12.137 -0.676 1.00 0.00 H new ATOM 918 N LYS A 60 11.969 11.269 -7.902 1.00 0.00 N ATOM 919 CA LYS A 60 11.465 10.399 -8.931 1.00 0.00 C ATOM 920 C LYS A 60 11.831 8.990 -8.555 1.00 0.00 C ATOM 921 O LYS A 60 12.901 8.763 -7.988 1.00 0.00 O ATOM 922 CB LYS A 60 12.073 10.750 -10.290 1.00 0.00 C ATOM 923 CG LYS A 60 11.453 11.972 -10.950 1.00 0.00 C ATOM 924 CD LYS A 60 12.090 12.236 -12.305 1.00 0.00 C ATOM 925 CE LYS A 60 11.363 13.324 -13.079 1.00 0.00 C ATOM 926 NZ LYS A 60 11.923 13.493 -14.448 1.00 0.00 N ATOM 0 H LYS A 60 12.805 11.789 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 60 10.384 10.511 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.142 10.921 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.963 9.895 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.380 11.821 -11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.582 12.843 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.131 12.526 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.091 11.316 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.304 13.076 -13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.436 14.267 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.402 14.243 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.928 13.754 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.831 12.600 -14.973 1.00 0.00 H new ATOM 940 N LEU A 61 10.941 8.066 -8.836 1.00 0.00 N ATOM 941 CA LEU A 61 11.172 6.675 -8.522 1.00 0.00 C ATOM 942 C LEU A 61 12.559 6.228 -8.953 1.00 0.00 C ATOM 943 O LEU A 61 12.924 6.321 -10.128 1.00 0.00 O ATOM 944 CB LEU A 61 10.104 5.827 -9.176 1.00 0.00 C ATOM 945 CG LEU A 61 8.861 5.639 -8.325 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.924 4.646 -8.982 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.242 5.189 -6.931 1.00 0.00 C ATOM 0 H LEU A 61 10.045 8.255 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 61 11.118 6.550 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.818 6.286 -10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.524 4.849 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 61 8.341 6.593 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.036 4.519 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.631 5.017 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.430 3.687 -9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.341 5.058 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.780 4.243 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.880 5.942 -6.467 1.00 0.00 H new ATOM 959 N GLY A 62 13.320 5.729 -7.986 1.00 0.00 N ATOM 960 CA GLY A 62 14.676 5.287 -8.251 1.00 0.00 C ATOM 961 C GLY A 62 14.742 3.977 -9.006 1.00 0.00 C ATOM 962 O GLY A 62 15.790 3.333 -9.038 1.00 0.00 O ATOM 0 H GLY A 62 13.019 5.622 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.196 6.055 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.207 5.180 -7.305 1.00 0.00 H new ATOM 966 N GLU A 63 13.611 3.577 -9.597 1.00 0.00 N ATOM 967 CA GLU A 63 13.510 2.337 -10.369 1.00 0.00 C ATOM 968 C GLU A 63 13.831 1.127 -9.494 1.00 0.00 C ATOM 969 O GLU A 63 14.070 0.023 -9.981 1.00 0.00 O ATOM 970 CB GLU A 63 14.433 2.399 -11.590 1.00 0.00 C ATOM 971 CG GLU A 63 14.405 3.752 -12.277 1.00 0.00 C ATOM 972 CD GLU A 63 14.046 3.669 -13.745 1.00 0.00 C ATOM 973 OE1 GLU A 63 14.969 3.662 -14.585 1.00 0.00 O ATOM 974 OE2 GLU A 63 12.839 3.611 -14.067 1.00 0.00 O ATOM 0 H GLU A 63 12.740 4.106 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 63 12.485 2.226 -10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.454 2.174 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.139 1.628 -12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.686 4.395 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.382 4.224 -12.175 1.00 0.00 H new ATOM 981 N ASP A 64 13.813 1.363 -8.192 1.00 0.00 N ATOM 982 CA ASP A 64 14.090 0.334 -7.195 1.00 0.00 C ATOM 983 C ASP A 64 12.813 0.045 -6.423 1.00 0.00 C ATOM 984 O ASP A 64 12.681 -0.964 -5.730 1.00 0.00 O ATOM 985 CB ASP A 64 15.194 0.820 -6.248 1.00 0.00 C ATOM 986 CG ASP A 64 15.391 -0.073 -5.038 1.00 0.00 C ATOM 987 OD1 ASP A 64 15.143 0.391 -3.903 1.00 0.00 O ATOM 988 OD2 ASP A 64 15.809 -1.233 -5.212 1.00 0.00 O ATOM 0 H ASP A 64 13.605 2.278 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 64 14.431 -0.580 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.132 0.884 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.954 1.828 -5.910 1.00 0.00 H new ATOM 993 N GLU A 65 11.866 0.952 -6.579 1.00 0.00 N ATOM 994 CA GLU A 65 10.587 0.848 -5.919 1.00 0.00 C ATOM 995 C GLU A 65 9.565 0.175 -6.827 1.00 0.00 C ATOM 996 O GLU A 65 8.955 -0.824 -6.446 1.00 0.00 O ATOM 997 CB GLU A 65 10.134 2.231 -5.482 1.00 0.00 C ATOM 998 CG GLU A 65 10.724 2.636 -4.141 1.00 0.00 C ATOM 999 CD GLU A 65 10.677 4.128 -3.899 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.793 4.580 -3.142 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.536 4.849 -4.452 1.00 0.00 O ATOM 0 H GLU A 65 11.966 1.779 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 65 10.683 0.222 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.423 2.961 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.046 2.251 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.182 2.127 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.759 2.298 -4.089 1.00 0.00 H new ATOM 1008 N SER A 66 9.417 0.721 -8.030 1.00 0.00 N ATOM 1009 CA SER A 66 8.498 0.200 -9.040 1.00 0.00 C ATOM 1010 C SER A 66 7.051 0.174 -8.544 1.00 0.00 C ATOM 1011 O SER A 66 6.618 -0.749 -7.850 1.00 0.00 O ATOM 1012 CB SER A 66 8.942 -1.197 -9.482 1.00 0.00 C ATOM 1013 OG SER A 66 10.345 -1.234 -9.691 1.00 0.00 O ATOM 0 H SER A 66 9.935 1.545 -8.335 1.00 0.00 H new ATOM 0 HA SER A 66 8.530 0.875 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.663 -1.930 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.425 -1.475 -10.400 1.00 0.00 H new ATOM 0 HG SER A 66 10.610 -2.135 -9.971 1.00 0.00 H new ATOM 1019 N ILE A 67 6.312 1.206 -8.915 1.00 0.00 N ATOM 1020 CA ILE A 67 4.906 1.331 -8.551 1.00 0.00 C ATOM 1021 C ILE A 67 4.017 0.633 -9.578 1.00 0.00 C ATOM 1022 O ILE A 67 4.290 0.704 -10.779 1.00 0.00 O ATOM 1023 CB ILE A 67 4.479 2.812 -8.485 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.168 3.497 -7.318 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.968 2.952 -8.369 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.597 4.854 -7.007 1.00 0.00 C ATOM 0 H ILE A 67 6.667 1.981 -9.476 1.00 0.00 H new ATOM 0 HA ILE A 67 4.788 0.867 -7.572 1.00 0.00 H new ATOM 0 HB ILE A 67 4.783 3.295 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.087 2.864 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.230 3.599 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.703 4.008 -8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.493 2.494 -9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.625 2.454 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.133 5.290 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.702 5.501 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.541 4.755 -6.754 1.00 0.00 H new ATOM 1038 N PRO A 68 2.963 -0.074 -9.127 1.00 0.00 N ATOM 1039 CA PRO A 68 2.012 -0.723 -10.033 1.00 0.00 C ATOM 1040 C PRO A 68 1.430 0.291 -11.017 1.00 0.00 C ATOM 1041 O PRO A 68 0.851 1.298 -10.607 1.00 0.00 O ATOM 1042 CB PRO A 68 0.923 -1.247 -9.094 1.00 0.00 C ATOM 1043 CG PRO A 68 1.599 -1.406 -7.777 1.00 0.00 C ATOM 1044 CD PRO A 68 2.635 -0.319 -7.709 1.00 0.00 C ATOM 0 HA PRO A 68 2.467 -1.508 -10.637 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.088 -0.549 -9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.519 -2.195 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.885 -1.316 -6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.060 -2.390 -7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.247 0.577 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.511 -0.633 -7.142 1.00 0.00 H new ATOM 1052 N GLU A 69 1.589 0.026 -12.308 1.00 0.00 N ATOM 1053 CA GLU A 69 1.104 0.927 -13.355 1.00 0.00 C ATOM 1054 C GLU A 69 -0.387 1.221 -13.224 1.00 0.00 C ATOM 1055 O GLU A 69 -0.869 2.252 -13.697 1.00 0.00 O ATOM 1056 CB GLU A 69 1.395 0.340 -14.736 1.00 0.00 C ATOM 1057 CG GLU A 69 2.815 0.589 -15.216 1.00 0.00 C ATOM 1058 CD GLU A 69 3.818 -0.375 -14.618 1.00 0.00 C ATOM 1059 OE1 GLU A 69 3.395 -1.363 -13.980 1.00 0.00 O ATOM 1060 OE2 GLU A 69 5.036 -0.151 -14.785 1.00 0.00 O ATOM 0 H GLU A 69 2.053 -0.811 -12.660 1.00 0.00 H new ATOM 0 HA GLU A 69 1.637 1.870 -13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.212 -0.734 -14.711 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.697 0.765 -15.457 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.845 0.509 -16.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.105 1.609 -14.964 1.00 0.00 H new ATOM 1067 N GLU A 70 -1.107 0.330 -12.563 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.541 0.497 -12.372 1.00 0.00 C ATOM 1069 C GLU A 70 -2.851 1.664 -11.428 1.00 0.00 C ATOM 1070 O GLU A 70 -3.972 2.173 -11.417 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.171 -0.795 -11.832 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.467 -1.371 -10.609 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.407 -2.123 -9.682 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.444 -1.800 -8.475 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.115 -3.042 -10.147 1.00 0.00 O ATOM 0 H GLU A 70 -0.722 -0.519 -12.148 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.974 0.724 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.213 -0.599 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.171 -1.544 -12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.674 -2.043 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.991 -0.561 -10.056 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.861 2.095 -10.644 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.073 3.188 -9.693 1.00 0.00 C ATOM 1084 C ILE A 71 -1.085 4.336 -9.911 1.00 0.00 C ATOM 1085 O ILE A 71 -1.316 5.456 -9.451 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.951 2.690 -8.231 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.492 2.388 -7.876 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.803 1.443 -8.026 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.276 2.079 -6.413 1.00 0.00 C ATOM 0 H ILE A 71 -0.916 1.710 -10.648 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.083 3.557 -9.869 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.310 3.481 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.150 1.542 -8.472 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.125 3.243 -8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.708 1.103 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.847 1.677 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.464 0.656 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.780 1.875 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.587 2.933 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.865 1.205 -6.135 1.00 0.00 H new ATOM 1101 N ILE A 72 -0.012 4.050 -10.637 1.00 0.00 N ATOM 1102 CA ILE A 72 1.057 5.018 -10.909 1.00 0.00 C ATOM 1103 C ILE A 72 0.548 6.328 -11.510 1.00 0.00 C ATOM 1104 O ILE A 72 1.111 7.390 -11.258 1.00 0.00 O ATOM 1105 CB ILE A 72 2.105 4.385 -11.844 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.488 5.022 -11.648 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.674 4.441 -13.308 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.807 6.158 -12.609 1.00 0.00 C ATOM 0 H ILE A 72 0.148 3.135 -11.059 1.00 0.00 H new ATOM 0 HA ILE A 72 1.506 5.270 -9.948 1.00 0.00 H new ATOM 0 HB ILE A 72 2.180 3.333 -11.571 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.559 5.397 -10.627 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.248 4.248 -11.757 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.442 3.984 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.736 3.899 -13.432 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.535 5.480 -13.607 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.803 6.546 -12.396 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.773 5.788 -13.634 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.073 6.955 -12.487 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.517 6.263 -12.281 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.048 7.461 -12.910 1.00 0.00 C ATOM 1122 C ASN A 73 -2.301 7.936 -12.195 1.00 0.00 C ATOM 1123 O ASN A 73 -3.082 8.717 -12.734 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.333 7.201 -14.387 1.00 0.00 C ATOM 1125 CG ASN A 73 -1.110 8.434 -15.243 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -2.022 9.226 -15.462 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.108 8.601 -15.734 1.00 0.00 N ATOM 0 H ASN A 73 -1.029 5.406 -12.488 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.300 8.250 -12.836 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.692 6.394 -14.742 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.363 6.863 -14.502 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.316 9.411 -16.318 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.839 7.920 -15.528 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.473 7.475 -10.966 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.646 7.871 -10.201 1.00 0.00 C ATOM 1136 C GLY A 74 -3.328 8.383 -8.810 1.00 0.00 C ATOM 1137 O GLY A 74 -4.153 8.227 -7.910 1.00 0.00 O ATOM 0 H GLY A 74 -1.833 6.842 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.181 8.646 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.319 7.018 -10.118 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.158 9.021 -8.645 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.723 9.552 -7.343 1.00 0.00 C ATOM 1143 C LYS A 75 -1.653 8.429 -6.315 1.00 0.00 C ATOM 1144 O LYS A 75 -2.672 7.944 -5.819 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.647 10.677 -6.866 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.055 11.535 -5.757 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.504 12.849 -6.304 1.00 0.00 C ATOM 1148 CE LYS A 75 -0.645 13.565 -5.271 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.150 14.887 -5.753 1.00 0.00 N ATOM 0 H LYS A 75 -1.493 9.182 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.726 9.977 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.892 11.316 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.582 10.241 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.819 11.743 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.259 10.985 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.912 12.653 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.330 13.495 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.224 13.709 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.206 12.935 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.484 15.301 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.369 14.759 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.957 15.524 -5.910 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.448 8.038 -5.966 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.281 6.931 -5.043 1.00 0.00 C ATOM 1165 C CYS A 76 0.135 7.398 -3.662 1.00 0.00 C ATOM 1166 O CYS A 76 0.430 8.571 -3.439 1.00 0.00 O ATOM 1167 CB CYS A 76 0.753 5.939 -5.565 1.00 0.00 C ATOM 1168 SG CYS A 76 0.658 5.619 -7.339 1.00 0.00 S ATOM 0 H CYS A 76 0.419 8.460 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.253 6.443 -4.965 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.749 6.315 -5.330 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.634 4.996 -5.032 1.00 0.00 H new ATOM 0 HG CYS A 76 1.204 6.605 -7.988 1.00 0.00 H new ATOM 1174 N PHE A 77 0.134 6.455 -2.741 1.00 0.00 N ATOM 1175 CA PHE A 77 0.513 6.693 -1.369 1.00 0.00 C ATOM 1176 C PHE A 77 1.222 5.468 -0.830 1.00 0.00 C ATOM 1177 O PHE A 77 0.637 4.389 -0.750 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.717 7.001 -0.513 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.471 8.214 -0.970 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -0.949 9.481 -0.779 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.692 8.085 -1.606 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.627 10.598 -1.216 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.380 9.199 -2.040 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.846 10.458 -1.848 1.00 0.00 C ATOM 0 H PHE A 77 -0.134 5.489 -2.931 1.00 0.00 H new ATOM 0 HA PHE A 77 1.180 7.554 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.385 6.140 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.404 7.145 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.002 9.596 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.111 7.102 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.206 11.581 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.336 9.087 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.381 11.331 -2.192 1.00 0.00 H new ATOM 1194 N PHE A 78 2.487 5.620 -0.498 1.00 0.00 N ATOM 1195 CA PHE A 78 3.244 4.514 0.051 1.00 0.00 C ATOM 1196 C PHE A 78 2.950 4.447 1.531 1.00 0.00 C ATOM 1197 O PHE A 78 3.462 5.241 2.317 1.00 0.00 O ATOM 1198 CB PHE A 78 4.743 4.678 -0.194 1.00 0.00 C ATOM 1199 CG PHE A 78 5.572 3.535 0.322 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.236 3.632 1.535 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.685 2.360 -0.407 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.998 2.581 2.008 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.445 1.309 0.061 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.104 1.419 1.270 1.00 0.00 C ATOM 0 H PHE A 78 3.009 6.490 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 78 2.948 3.588 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.917 4.786 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.080 5.601 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.157 4.539 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.171 2.267 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.510 2.668 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.525 0.400 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.701 0.597 1.637 1.00 0.00 H new ATOM 1214 N ILE A 79 2.091 3.527 1.896 1.00 0.00 N ATOM 1215 CA ILE A 79 1.685 3.372 3.270 1.00 0.00 C ATOM 1216 C ILE A 79 2.223 2.106 3.860 1.00 0.00 C ATOM 1217 O ILE A 79 2.689 1.197 3.173 1.00 0.00 O ATOM 1218 CB ILE A 79 0.153 3.329 3.413 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.346 1.922 3.075 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.511 4.384 2.533 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.766 1.881 2.585 1.00 0.00 C ATOM 0 H ILE A 79 1.655 2.867 1.251 1.00 0.00 H new ATOM 0 HA ILE A 79 2.085 4.238 3.797 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.118 3.560 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.303 1.490 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.260 1.294 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.593 4.330 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.162 5.374 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.253 4.202 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.046 0.850 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.428 2.282 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.856 2.481 1.679 1.00 0.00 H new ATOM 1233 N HIS A 80 2.130 2.075 5.148 1.00 0.00 N ATOM 1234 CA HIS A 80 2.521 0.951 5.920 1.00 0.00 C ATOM 1235 C HIS A 80 1.272 0.537 6.671 1.00 0.00 C ATOM 1236 O HIS A 80 0.781 1.285 7.522 1.00 0.00 O ATOM 1237 CB HIS A 80 3.679 1.358 6.823 1.00 0.00 C ATOM 1238 CG HIS A 80 3.824 0.545 8.056 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.639 -0.552 8.152 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.239 0.693 9.250 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.556 -1.048 9.367 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.708 -0.310 10.062 1.00 0.00 N ATOM 0 H HIS A 80 1.771 2.852 5.703 1.00 0.00 H new ATOM 0 HA HIS A 80 2.886 0.107 5.336 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.606 1.295 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.550 2.402 7.107 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.218 -0.925 7.400 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.529 1.459 9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.090 -1.912 9.735 1.00 0.00 H new ATOM 1251 N TYR A 81 0.714 -0.599 6.283 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.515 -1.092 6.883 1.00 0.00 C ATOM 1253 C TYR A 81 -0.425 -1.151 8.398 1.00 0.00 C ATOM 1254 O TYR A 81 0.317 -1.946 8.976 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.906 -2.442 6.281 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.645 -2.287 4.971 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -3.000 -1.990 4.956 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.989 -2.409 3.755 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -3.682 -1.819 3.767 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.663 -2.244 2.561 1.00 0.00 C ATOM 1261 CZ TYR A 81 -3.011 -1.948 2.572 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.685 -1.776 1.386 1.00 0.00 O ATOM 0 H TYR A 81 1.095 -1.199 5.552 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.307 -0.381 6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.009 -3.041 6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.532 -2.986 6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.531 -1.891 5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.067 -2.637 3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.736 -1.585 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.138 -2.346 1.623 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.040 -1.661 0.657 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.188 -0.265 9.019 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.249 -0.148 10.464 1.00 0.00 C ATOM 1274 C GLN A 82 -1.919 -1.378 11.059 1.00 0.00 C ATOM 1275 O GLN A 82 -3.065 -1.692 10.745 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.015 1.122 10.833 1.00 0.00 C ATOM 1277 CG GLN A 82 -2.132 1.381 12.324 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.617 2.785 12.607 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -2.250 3.732 11.911 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.460 2.928 13.610 1.00 0.00 N ATOM 0 H GLN A 82 -1.787 0.398 8.528 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.240 -0.083 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.522 1.975 10.367 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.017 1.062 10.409 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.821 0.661 12.766 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.163 1.227 12.798 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.738 2.117 14.162 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.834 3.850 13.834 1.00 0.00 H new ATOM 1289 N GLY A 83 -1.188 -2.074 11.910 1.00 0.00 N ATOM 1290 CA GLY A 83 -1.703 -3.282 12.516 1.00 0.00 C ATOM 1291 C GLY A 83 -0.940 -4.483 12.017 1.00 0.00 C ATOM 1292 O GLY A 83 -0.824 -5.499 12.706 1.00 0.00 O ATOM 0 H GLY A 83 -0.241 -1.823 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.622 -3.216 13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.762 -3.392 12.282 1.00 0.00 H new ATOM 1296 N TRP A 84 -0.415 -4.351 10.807 1.00 0.00 N ATOM 1297 CA TRP A 84 0.372 -5.397 10.182 1.00 0.00 C ATOM 1298 C TRP A 84 1.854 -5.157 10.465 1.00 0.00 C ATOM 1299 O TRP A 84 2.207 -4.480 11.435 1.00 0.00 O ATOM 1300 CB TRP A 84 0.113 -5.428 8.670 1.00 0.00 C ATOM 1301 CG TRP A 84 -1.222 -5.999 8.291 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -2.337 -5.304 7.911 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.577 -7.386 8.242 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.363 -6.176 7.629 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.920 -7.458 7.830 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -0.887 -8.574 8.512 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.586 -8.671 7.676 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -1.550 -9.776 8.358 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -2.887 -9.817 7.945 1.00 0.00 C ATOM 0 H TRP A 84 -0.524 -3.515 10.233 1.00 0.00 H new ATOM 0 HA TRP A 84 0.081 -6.362 10.597 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.187 -4.414 8.278 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.897 -6.014 8.189 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.402 -4.228 7.842 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.299 -5.912 7.321 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.144 -8.551 8.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.617 -8.707 7.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.028 -10.700 8.560 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.377 -10.773 7.836 1.00 0.00 H new ATOM 1320 N LYS A 85 2.718 -5.702 9.624 1.00 0.00 N ATOM 1321 CA LYS A 85 4.153 -5.532 9.800 1.00 0.00 C ATOM 1322 C LYS A 85 4.754 -4.739 8.645 1.00 0.00 C ATOM 1323 O LYS A 85 4.039 -4.304 7.743 1.00 0.00 O ATOM 1324 CB LYS A 85 4.856 -6.889 9.938 1.00 0.00 C ATOM 1325 CG LYS A 85 4.298 -7.986 9.045 1.00 0.00 C ATOM 1326 CD LYS A 85 5.119 -9.260 9.161 1.00 0.00 C ATOM 1327 CE LYS A 85 4.436 -10.435 8.481 1.00 0.00 C ATOM 1328 NZ LYS A 85 3.428 -11.084 9.362 1.00 0.00 N ATOM 0 H LYS A 85 2.453 -6.264 8.815 1.00 0.00 H new ATOM 0 HA LYS A 85 4.309 -4.970 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.915 -6.759 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.788 -7.214 10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.263 -8.191 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.292 -7.647 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.101 -9.102 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.282 -9.493 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.951 -10.092 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.186 -11.169 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.987 -11.880 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.894 -11.435 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.697 -10.391 9.622 1.00 0.00 H new ATOM 1342 N SER A 86 6.069 -4.567 8.676 1.00 0.00 N ATOM 1343 CA SER A 86 6.791 -3.818 7.653 1.00 0.00 C ATOM 1344 C SER A 86 6.689 -4.481 6.276 1.00 0.00 C ATOM 1345 O SER A 86 6.922 -3.846 5.248 1.00 0.00 O ATOM 1346 CB SER A 86 8.251 -3.697 8.073 1.00 0.00 C ATOM 1347 OG SER A 86 8.425 -4.200 9.391 1.00 0.00 O ATOM 0 H SER A 86 6.667 -4.943 9.412 1.00 0.00 H new ATOM 0 HA SER A 86 6.339 -2.830 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.884 -4.249 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.564 -2.654 8.029 1.00 0.00 H new ATOM 0 HG SER A 86 9.367 -4.119 9.650 1.00 0.00 H new ATOM 1353 N SER A 87 6.325 -5.756 6.253 1.00 0.00 N ATOM 1354 CA SER A 87 6.193 -6.481 4.998 1.00 0.00 C ATOM 1355 C SER A 87 4.903 -6.084 4.283 1.00 0.00 C ATOM 1356 O SER A 87 4.562 -6.647 3.244 1.00 0.00 O ATOM 1357 CB SER A 87 6.214 -7.991 5.245 1.00 0.00 C ATOM 1358 OG SER A 87 6.645 -8.693 4.089 1.00 0.00 O ATOM 0 H SER A 87 6.117 -6.307 7.086 1.00 0.00 H new ATOM 0 HA SER A 87 7.039 -6.220 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.878 -8.217 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.218 -8.330 5.529 1.00 0.00 H new ATOM 0 HG SER A 87 6.181 -8.341 3.301 1.00 0.00 H new ATOM 1364 N TRP A 88 4.197 -5.108 4.838 1.00 0.00 N ATOM 1365 CA TRP A 88 2.955 -4.644 4.256 1.00 0.00 C ATOM 1366 C TRP A 88 3.069 -3.188 3.834 1.00 0.00 C ATOM 1367 O TRP A 88 2.068 -2.490 3.677 1.00 0.00 O ATOM 1368 CB TRP A 88 1.801 -4.844 5.233 1.00 0.00 C ATOM 1369 CG TRP A 88 1.384 -6.279 5.324 1.00 0.00 C ATOM 1370 CD1 TRP A 88 1.857 -7.222 6.191 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.419 -6.942 4.498 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.241 -8.425 5.957 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.356 -8.279 4.923 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.399 -6.531 3.441 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -0.491 -9.212 4.326 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.238 -7.456 2.851 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -1.281 -8.781 3.294 1.00 0.00 C ATOM 0 H TRP A 88 4.469 -4.624 5.694 1.00 0.00 H new ATOM 0 HA TRP A 88 2.749 -5.235 3.363 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.097 -4.489 6.220 1.00 0.00 H new ATOM 0 HB3 TRP A 88 0.951 -4.239 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.606 -7.046 6.949 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.414 -9.289 6.471 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.375 -5.509 3.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -0.523 -10.237 4.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.872 -7.150 2.032 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.951 -9.479 2.813 1.00 0.00 H new ATOM 1388 N ASP A 89 4.300 -2.726 3.690 1.00 0.00 N ATOM 1389 CA ASP A 89 4.552 -1.369 3.231 1.00 0.00 C ATOM 1390 C ASP A 89 4.396 -1.360 1.720 1.00 0.00 C ATOM 1391 O ASP A 89 5.330 -1.690 0.984 1.00 0.00 O ATOM 1392 CB ASP A 89 5.959 -0.901 3.619 1.00 0.00 C ATOM 1393 CG ASP A 89 6.067 -0.471 5.070 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.854 -1.316 5.968 1.00 0.00 O ATOM 1395 OD2 ASP A 89 6.387 0.707 5.323 1.00 0.00 O ATOM 0 H ASP A 89 5.141 -3.270 3.884 1.00 0.00 H new ATOM 0 HA ASP A 89 3.845 -0.685 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.668 -1.708 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.248 -0.068 2.978 1.00 0.00 H new ATOM 1400 N GLU A 90 3.208 -1.018 1.255 1.00 0.00 N ATOM 1401 CA GLU A 90 2.933 -1.033 -0.171 1.00 0.00 C ATOM 1402 C GLU A 90 2.387 0.298 -0.663 1.00 0.00 C ATOM 1403 O GLU A 90 2.086 1.199 0.120 1.00 0.00 O ATOM 1404 CB GLU A 90 1.937 -2.150 -0.505 1.00 0.00 C ATOM 1405 CG GLU A 90 2.237 -3.470 0.190 1.00 0.00 C ATOM 1406 CD GLU A 90 2.050 -4.671 -0.715 1.00 0.00 C ATOM 1407 OE1 GLU A 90 0.994 -5.334 -0.626 1.00 0.00 O ATOM 1408 OE2 GLU A 90 2.967 -4.963 -1.516 1.00 0.00 O ATOM 0 H GLU A 90 2.423 -0.728 1.839 1.00 0.00 H new ATOM 0 HA GLU A 90 3.880 -1.215 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.934 -1.824 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.934 -2.310 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.263 -3.456 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.588 -3.572 1.059 1.00 0.00 H new ATOM 1415 N TRP A 91 2.264 0.403 -1.975 1.00 0.00 N ATOM 1416 CA TRP A 91 1.749 1.600 -2.612 1.00 0.00 C ATOM 1417 C TRP A 91 0.260 1.462 -2.885 1.00 0.00 C ATOM 1418 O TRP A 91 -0.173 0.503 -3.526 1.00 0.00 O ATOM 1419 CB TRP A 91 2.436 1.836 -3.956 1.00 0.00 C ATOM 1420 CG TRP A 91 3.817 2.410 -3.893 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.991 1.724 -3.986 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.169 3.794 -3.768 1.00 0.00 C ATOM 1423 NE1 TRP A 91 6.050 2.593 -3.939 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.573 3.869 -3.806 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.442 4.979 -3.634 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.257 5.076 -3.720 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 4.130 6.177 -3.544 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.523 6.216 -3.593 1.00 0.00 C ATOM 0 H TRP A 91 2.518 -0.339 -2.627 1.00 0.00 H new ATOM 0 HA TRP A 91 1.940 2.432 -1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.482 0.887 -4.490 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.812 2.505 -4.548 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.075 0.652 -4.083 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.034 2.331 -3.994 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.363 4.961 -3.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.336 5.109 -3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.578 7.098 -3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.029 7.168 -3.529 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.523 2.403 -2.396 1.00 0.00 N ATOM 1440 CA VAL A 92 -1.952 2.402 -2.652 1.00 0.00 C ATOM 1441 C VAL A 92 -2.305 3.654 -3.438 1.00 0.00 C ATOM 1442 O VAL A 92 -1.518 4.587 -3.496 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.797 2.344 -1.363 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.599 1.016 -0.653 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.469 3.516 -0.452 1.00 0.00 C ATOM 0 H VAL A 92 -0.195 3.178 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.186 1.501 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.850 2.421 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.203 0.995 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.904 0.202 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.548 0.897 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.076 3.456 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.413 3.483 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.682 4.451 -0.971 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.466 3.669 -4.055 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.869 4.831 -4.814 1.00 0.00 C ATOM 1457 C GLY A 93 -5.255 5.260 -4.423 1.00 0.00 C ATOM 1458 O GLY A 93 -5.907 4.560 -3.660 1.00 0.00 O ATOM 0 H GLY A 93 -4.138 2.902 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.167 5.647 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.839 4.605 -5.880 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.718 6.385 -4.949 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.062 6.885 -4.645 1.00 0.00 C ATOM 1464 C TYR A 94 -8.132 5.885 -5.056 1.00 0.00 C ATOM 1465 O TYR A 94 -9.292 5.985 -4.662 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.305 8.199 -5.371 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.764 9.384 -4.632 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.739 10.141 -5.166 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.277 9.742 -3.397 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.234 11.227 -4.491 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.780 10.826 -2.712 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.757 11.569 -3.262 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.255 12.654 -2.580 1.00 0.00 O ATOM 0 H TYR A 94 -5.186 6.974 -5.590 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.123 7.037 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.846 8.153 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.376 8.331 -5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.328 9.875 -6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.079 9.162 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.432 11.809 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.189 11.094 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.735 12.758 -1.732 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.711 4.917 -5.834 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.595 3.877 -6.343 1.00 0.00 C ATOM 1485 C ASP A 95 -8.612 2.674 -5.405 1.00 0.00 C ATOM 1486 O ASP A 95 -9.510 1.838 -5.459 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.140 3.451 -7.741 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.090 2.471 -8.395 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -10.267 2.832 -8.608 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -8.657 1.346 -8.714 1.00 0.00 O ATOM 0 H ASP A 95 -6.742 4.821 -6.138 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.607 4.277 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.046 4.335 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.150 3.000 -7.674 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.623 2.607 -4.522 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.513 1.502 -3.579 1.00 0.00 C ATOM 1497 C ARG A 96 -7.408 2.046 -2.165 1.00 0.00 C ATOM 1498 O ARG A 96 -7.091 1.318 -1.226 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.279 0.646 -3.895 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.330 -0.044 -5.250 1.00 0.00 C ATOM 1501 CD ARG A 96 -5.304 -1.163 -5.345 1.00 0.00 C ATOM 1502 NE ARG A 96 -5.349 -1.849 -6.636 1.00 0.00 N ATOM 1503 CZ ARG A 96 -6.271 -2.752 -6.978 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -7.235 -3.085 -6.126 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -6.219 -3.329 -8.170 1.00 0.00 N ATOM 0 H ARG A 96 -6.885 3.306 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.403 0.878 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.392 1.278 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.167 -0.111 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.328 -0.449 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.148 0.686 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.306 -0.753 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.481 -1.884 -4.547 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.628 -1.622 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.274 -2.650 -5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.936 -3.776 -6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.476 -3.083 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.922 -4.019 -8.434 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.681 3.330 -2.023 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.595 3.988 -0.738 1.00 0.00 C ATOM 1521 C ILE A 97 -8.912 4.675 -0.386 1.00 0.00 C ATOM 1522 O ILE A 97 -9.695 5.054 -1.265 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.436 5.025 -0.730 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.794 5.118 0.651 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.927 6.393 -1.158 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.811 6.261 0.807 1.00 0.00 C ATOM 0 H ILE A 97 -7.966 3.939 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.391 3.226 0.014 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.687 4.682 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.581 5.226 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.280 4.181 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.096 7.099 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.335 6.334 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.703 6.732 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.402 6.254 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.001 6.145 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.322 7.207 0.629 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.158 4.789 0.903 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.341 5.437 1.430 1.00 0.00 C ATOM 1540 C ARG A 98 -9.880 6.454 2.462 1.00 0.00 C ATOM 1541 O ARG A 98 -8.681 6.581 2.703 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.297 4.423 2.080 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.482 3.123 1.304 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.001 3.361 -0.106 1.00 0.00 C ATOM 1545 NE ARG A 98 -13.329 3.971 -0.138 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.628 5.038 -0.881 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -12.685 5.609 -1.623 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.865 5.525 -0.893 1.00 0.00 N ATOM 0 H ARG A 98 -8.533 4.429 1.624 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.889 5.918 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.926 4.184 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.271 4.895 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.530 2.594 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.178 2.478 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.301 4.003 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.032 2.411 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.064 3.560 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.737 5.231 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.909 6.425 -2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.593 5.083 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.086 6.341 -1.463 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.799 7.138 3.109 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.436 8.120 4.082 1.00 0.00 C ATOM 1564 C ALA A 99 -10.830 7.586 5.424 1.00 0.00 C ATOM 1565 O ALA A 99 -11.938 7.093 5.607 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.121 9.453 3.819 1.00 0.00 C ATOM 0 H ALA A 99 -11.803 7.025 2.971 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.363 8.306 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.820 10.173 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.832 9.822 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.202 9.320 3.854 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.924 7.643 6.343 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.177 7.156 7.664 1.00 0.00 C ATOM 1574 C TYR A 100 -11.215 8.050 8.342 1.00 0.00 C ATOM 1575 O TYR A 100 -10.886 9.103 8.887 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.849 7.170 8.376 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.828 6.512 9.729 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.665 5.137 9.833 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.955 7.250 10.895 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.627 4.519 11.063 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.921 6.637 12.132 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.756 5.271 12.208 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.706 4.648 13.435 1.00 0.00 O ATOM 0 H TYR A 100 -8.989 8.027 6.203 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.587 6.146 7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.112 6.678 7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.530 8.206 8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.567 4.544 8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.083 8.321 10.835 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.497 3.449 11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.023 7.224 13.033 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.228 3.796 13.350 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.469 7.622 8.288 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.576 8.381 8.849 1.00 0.00 C ATOM 1595 C ASN A 101 -14.678 7.442 9.325 1.00 0.00 C ATOM 1596 O ASN A 101 -14.527 6.226 9.262 1.00 0.00 O ATOM 1597 CB ASN A 101 -14.123 9.366 7.805 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.521 8.695 6.499 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.165 7.647 6.488 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.128 9.294 5.388 1.00 0.00 N ATOM 0 H ASN A 101 -12.746 6.741 7.855 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.213 8.947 9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.989 9.881 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.368 10.125 7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.358 8.888 4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.595 10.162 5.438 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.798 8.005 9.753 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.906 7.208 10.273 1.00 0.00 C ATOM 1609 C GLU A 102 -17.677 6.442 9.198 1.00 0.00 C ATOM 1610 O GLU A 102 -18.477 5.573 9.532 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.874 8.078 11.078 1.00 0.00 C ATOM 1612 CG GLU A 102 -17.546 8.136 12.564 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.841 9.413 12.967 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -15.831 9.771 12.322 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.288 10.057 13.939 1.00 0.00 O ATOM 0 H GLU A 102 -15.967 9.011 9.752 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.446 6.462 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.864 9.090 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.886 7.694 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -18.468 8.041 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.919 7.284 12.825 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.454 6.736 7.926 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.180 6.032 6.870 1.00 0.00 C ATOM 1624 C GLU A 103 -17.416 4.808 6.392 1.00 0.00 C ATOM 1625 O GLU A 103 -17.974 3.712 6.293 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.450 6.944 5.671 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.404 6.323 4.659 1.00 0.00 C ATOM 1628 CD GLU A 103 -18.833 6.240 3.253 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -17.947 5.396 3.009 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -19.290 7.008 2.379 1.00 0.00 O ATOM 0 H GLU A 103 -16.792 7.441 7.600 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.129 5.718 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.866 7.887 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.506 7.177 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.672 5.320 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.324 6.907 4.634 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.129 4.991 6.142 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.290 3.922 5.628 1.00 0.00 C ATOM 1639 C ASN A 104 -15.016 2.899 6.706 1.00 0.00 C ATOM 1640 O ASN A 104 -15.015 1.692 6.464 1.00 0.00 O ATOM 1641 CB ASN A 104 -13.966 4.489 5.099 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.125 5.292 3.819 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.379 6.227 3.555 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -15.094 4.937 3.005 1.00 0.00 N ATOM 0 H ASN A 104 -15.641 5.875 6.288 1.00 0.00 H new ATOM 0 HA ASN A 104 -15.819 3.436 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.519 5.123 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.272 3.667 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.238 5.444 2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.702 4.155 3.247 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.823 3.391 7.908 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.529 2.545 9.039 1.00 0.00 C ATOM 1653 C ILE A 105 -15.749 1.750 9.439 1.00 0.00 C ATOM 1654 O ILE A 105 -15.648 0.567 9.765 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.072 3.381 10.220 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.704 3.984 9.927 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -14.048 2.560 11.498 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.108 4.693 11.105 1.00 0.00 C ATOM 0 H ILE A 105 -14.865 4.386 8.128 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.732 1.860 8.748 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.786 4.191 10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.026 3.193 9.606 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.793 4.684 9.096 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.717 3.186 12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -15.049 2.182 11.707 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.361 1.722 11.379 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.135 5.100 10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.767 5.505 11.412 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.988 3.991 11.930 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.902 2.406 9.403 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.144 1.752 9.758 1.00 0.00 C ATOM 1672 C ALA A 106 -18.354 0.548 8.864 1.00 0.00 C ATOM 1673 O ALA A 106 -18.944 -0.451 9.272 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.315 2.707 9.659 1.00 0.00 C ATOM 0 H ALA A 106 -16.998 3.385 9.132 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.082 1.421 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.233 2.186 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.159 3.546 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.397 3.077 8.637 1.00 0.00 H new ATOM 1680 N MET A 107 -17.849 0.643 7.639 1.00 0.00 N ATOM 1681 CA MET A 107 -17.956 -0.463 6.719 1.00 0.00 C ATOM 1682 C MET A 107 -16.911 -1.493 7.096 1.00 0.00 C ATOM 1683 O MET A 107 -17.219 -2.657 7.152 1.00 0.00 O ATOM 1684 CB MET A 107 -17.771 -0.043 5.259 1.00 0.00 C ATOM 1685 CG MET A 107 -18.591 -0.879 4.288 1.00 0.00 C ATOM 1686 SD MET A 107 -18.489 -0.276 2.592 1.00 0.00 S ATOM 1687 CE MET A 107 -19.206 1.357 2.766 1.00 0.00 C ATOM 0 H MET A 107 -17.370 1.465 7.272 1.00 0.00 H new ATOM 0 HA MET A 107 -18.963 -0.874 6.796 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.049 1.005 5.151 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.716 -0.122 4.996 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.246 -1.912 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.633 -0.880 4.607 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.603 1.684 1.805 1.00 0.00 H new ATOM 0 HE2 MET A 107 -20.011 1.324 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 107 -18.440 2.057 3.099 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.679 -1.040 7.373 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.571 -1.916 7.761 1.00 0.00 C ATOM 1699 C LYS A 108 -14.984 -2.868 8.881 1.00 0.00 C ATOM 1700 O LYS A 108 -14.638 -4.048 8.865 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.371 -1.059 8.197 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.171 -1.855 8.690 1.00 0.00 C ATOM 1703 CD LYS A 108 -10.912 -0.989 8.742 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.421 -0.758 10.166 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.144 -2.029 10.882 1.00 0.00 N ATOM 0 H LYS A 108 -15.426 -0.053 7.333 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.289 -2.524 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.059 -0.439 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.693 -0.383 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.380 -2.256 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -12.002 -2.707 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.122 -1.466 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.117 -0.027 8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.515 -0.153 10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.169 -0.189 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.410 -1.870 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.014 -2.364 11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.815 -2.745 10.203 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.728 -2.351 9.840 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.210 -3.171 10.958 1.00 0.00 C ATOM 1721 C LYS A 109 -17.144 -4.258 10.444 1.00 0.00 C ATOM 1722 O LYS A 109 -17.023 -5.430 10.810 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.939 -2.312 11.996 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.228 -1.010 12.343 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.908 -1.256 13.052 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.910 -0.648 14.447 1.00 0.00 C ATOM 1727 NZ LYS A 109 -15.406 -1.606 15.467 1.00 0.00 N ATOM 0 H LYS A 109 -16.016 -1.373 9.876 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.346 -3.631 11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.936 -2.079 11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.068 -2.896 12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.049 -0.440 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.873 -0.402 12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.723 -2.328 13.120 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.093 -0.829 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.900 -0.332 14.707 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.535 0.245 14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.392 -1.154 16.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.379 -1.889 15.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.795 -2.447 15.479 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.068 -3.858 9.591 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.019 -4.775 8.991 1.00 0.00 C ATOM 1743 C ARG A 110 -18.304 -5.656 7.985 1.00 0.00 C ATOM 1744 O ARG A 110 -18.699 -6.777 7.727 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.113 -3.980 8.285 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.376 -4.772 8.002 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.391 -3.945 7.231 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.338 -4.227 5.802 1.00 0.00 N ATOM 1749 CZ ARG A 110 -22.521 -3.319 4.849 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -22.682 -2.036 5.148 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -22.511 -3.699 3.582 1.00 0.00 N ATOM 0 H ARG A 110 -18.181 -2.889 9.294 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.465 -5.398 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.370 -3.115 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.719 -3.599 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.126 -5.667 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.816 -5.106 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.393 -4.154 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.202 -2.885 7.401 1.00 0.00 H new ATOM 0 HE ARG A 110 -22.147 -5.187 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -22.666 -1.733 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.821 -1.352 4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -22.364 -4.680 3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -22.650 -3.011 2.842 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.238 -5.112 7.443 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.419 -5.758 6.443 1.00 0.00 C ATOM 1767 C LEU A 111 -15.591 -6.876 7.023 1.00 0.00 C ATOM 1768 O LEU A 111 -15.490 -7.940 6.431 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.544 -4.700 5.783 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.178 -4.098 4.556 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.651 -2.701 4.293 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -15.980 -4.958 3.339 1.00 0.00 C ATOM 0 H LEU A 111 -16.907 -4.180 7.693 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.065 -6.221 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.334 -3.909 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.587 -5.145 5.510 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.248 -4.038 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.128 -2.294 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.873 -2.061 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.572 -2.742 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.453 -4.485 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.914 -5.077 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -16.429 -5.937 3.508 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.017 -6.655 8.188 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.224 -7.684 8.825 1.00 0.00 C ATOM 1786 C ALA A 112 -15.140 -8.784 9.320 1.00 0.00 C ATOM 1787 O ALA A 112 -14.696 -9.856 9.731 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.387 -7.102 9.947 1.00 0.00 C ATOM 0 H ALA A 112 -15.084 -5.780 8.708 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.530 -8.110 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.799 -7.894 10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.718 -6.342 9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.041 -6.651 10.693 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.426 -8.484 9.295 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.442 -9.430 9.676 1.00 0.00 C ATOM 1796 C ASN A 113 -18.011 -10.085 8.420 1.00 0.00 C ATOM 1797 O ASN A 113 -18.237 -11.280 8.385 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.551 -8.733 10.454 1.00 0.00 C ATOM 1799 CG ASN A 113 -18.319 -8.745 11.951 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -18.569 -9.749 12.619 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.846 -7.630 12.491 1.00 0.00 N ATOM 0 H ASN A 113 -16.789 -7.575 9.009 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.002 -10.193 10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.634 -7.701 10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.502 -9.219 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.676 -7.582 13.496 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.652 -6.820 11.902 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.211 -9.279 7.380 1.00 0.00 N ATOM 1809 CA GLU A 114 -18.744 -9.746 6.104 1.00 0.00 C ATOM 1810 C GLU A 114 -17.722 -10.569 5.350 1.00 0.00 C ATOM 1811 O GLU A 114 -18.055 -11.614 4.792 1.00 0.00 O ATOM 1812 CB GLU A 114 -19.166 -8.568 5.233 1.00 0.00 C ATOM 1813 CG GLU A 114 -20.606 -8.142 5.429 1.00 0.00 C ATOM 1814 CD GLU A 114 -21.133 -7.385 4.232 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -21.913 -6.432 4.423 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -20.757 -7.733 3.092 1.00 0.00 O ATOM 0 H GLU A 114 -18.007 -8.280 7.399 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.611 -10.369 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -18.515 -7.720 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -19.015 -8.831 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.225 -9.022 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -20.682 -7.516 6.318 1.00 0.00 H new ATOM 1823 N ALA A 115 -16.470 -10.116 5.338 1.00 0.00 N ATOM 1824 CA ALA A 115 -15.422 -10.854 4.637 1.00 0.00 C ATOM 1825 C ALA A 115 -15.080 -12.115 5.413 1.00 0.00 C ATOM 1826 O ALA A 115 -14.227 -12.908 5.012 1.00 0.00 O ATOM 1827 CB ALA A 115 -14.187 -9.995 4.442 1.00 0.00 C ATOM 0 H ALA A 115 -16.160 -9.259 5.796 1.00 0.00 H new ATOM 0 HA ALA A 115 -15.791 -11.131 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.423 -10.569 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.446 -9.114 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -13.803 -9.683 5.414 1.00 0.00 H new ATOM 1833 N LYS A 116 -15.760 -12.276 6.534 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.578 -13.416 7.398 1.00 0.00 C ATOM 1835 C LYS A 116 -16.666 -14.458 7.119 1.00 0.00 C ATOM 1836 O LYS A 116 -16.622 -15.578 7.630 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.565 -12.925 8.855 1.00 0.00 C ATOM 1838 CG LYS A 116 -16.731 -13.375 9.729 1.00 0.00 C ATOM 1839 CD LYS A 116 -16.353 -13.338 11.203 1.00 0.00 C ATOM 1840 CE LYS A 116 -17.546 -13.022 12.090 1.00 0.00 C ATOM 1841 NZ LYS A 116 -17.119 -12.637 13.464 1.00 0.00 N ATOM 0 H LYS A 116 -16.458 -11.611 6.868 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.626 -13.910 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.638 -13.260 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.542 -11.835 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.592 -12.729 9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.029 -14.386 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.931 -14.300 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.577 -12.589 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.125 -12.211 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.202 -13.891 12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -17.958 -12.428 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -16.588 -13.420 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.513 -11.793 13.416 1.00 0.00 H new ATOM 1855 N GLU A 117 -17.629 -14.083 6.272 1.00 0.00 N ATOM 1856 CA GLU A 117 -18.721 -14.979 5.888 1.00 0.00 C ATOM 1857 C GLU A 117 -18.805 -15.121 4.371 1.00 0.00 C ATOM 1858 O GLU A 117 -19.103 -16.198 3.855 1.00 0.00 O ATOM 1859 CB GLU A 117 -20.074 -14.487 6.417 1.00 0.00 C ATOM 1860 CG GLU A 117 -20.018 -13.191 7.212 1.00 0.00 C ATOM 1861 CD GLU A 117 -20.888 -13.250 8.447 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -20.836 -14.268 9.163 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -21.640 -12.286 8.700 1.00 0.00 O ATOM 0 H GLU A 117 -17.673 -13.161 5.838 1.00 0.00 H new ATOM 0 HA GLU A 117 -18.500 -15.948 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.750 -14.349 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -20.506 -15.264 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -18.987 -12.988 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.340 -12.363 6.580 1.00 0.00 H new ATOM 1870 N ALA A 118 -18.542 -14.031 3.662 1.00 0.00 N ATOM 1871 CA ALA A 118 -18.604 -14.024 2.206 1.00 0.00 C ATOM 1872 C ALA A 118 -17.315 -14.557 1.590 1.00 0.00 C ATOM 1873 O ALA A 118 -16.648 -13.868 0.814 1.00 0.00 O ATOM 1874 CB ALA A 118 -18.905 -12.623 1.700 1.00 0.00 C ATOM 0 H ALA A 118 -18.282 -13.135 4.075 1.00 0.00 H new ATOM 0 HA ALA A 118 -19.412 -14.689 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -18.949 -12.631 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -19.863 -12.290 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -18.119 -11.942 2.027 1.00 0.00 H new ATOM 1880 N LYS A 119 -16.987 -15.791 1.942 1.00 0.00 N ATOM 1881 CA LYS A 119 -15.798 -16.462 1.446 1.00 0.00 C ATOM 1882 C LYS A 119 -15.860 -17.933 1.833 1.00 0.00 C ATOM 1883 O LYS A 119 -16.340 -18.269 2.916 1.00 0.00 O ATOM 1884 CB LYS A 119 -14.527 -15.818 2.017 1.00 0.00 C ATOM 1885 CG LYS A 119 -13.251 -16.254 1.311 1.00 0.00 C ATOM 1886 CD LYS A 119 -13.259 -15.853 -0.155 1.00 0.00 C ATOM 1887 CE LYS A 119 -12.066 -16.432 -0.894 1.00 0.00 C ATOM 1888 NZ LYS A 119 -12.125 -16.148 -2.351 1.00 0.00 N ATOM 0 H LYS A 119 -17.542 -16.357 2.584 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.763 -16.367 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -14.617 -14.734 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.449 -16.065 3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -12.389 -15.807 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.140 -17.335 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.181 -16.198 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.247 -14.766 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.147 -16.017 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.029 -17.510 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.293 -16.560 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.989 -16.565 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.134 -15.119 -2.504 1.00 0.00 H new ATOM 1902 N LYS A 120 -15.401 -18.802 0.952 1.00 0.00 N ATOM 1903 CA LYS A 120 -15.406 -20.231 1.222 1.00 0.00 C ATOM 1904 C LYS A 120 -14.010 -20.801 1.007 1.00 0.00 C ATOM 1905 O LYS A 120 -13.134 -20.056 0.521 1.00 0.00 O ATOM 1906 CB LYS A 120 -16.433 -20.948 0.336 1.00 0.00 C ATOM 1907 CG LYS A 120 -16.280 -20.657 -1.153 1.00 0.00 C ATOM 1908 CD LYS A 120 -17.324 -21.392 -1.984 1.00 0.00 C ATOM 1909 CE LYS A 120 -18.712 -20.804 -1.793 1.00 0.00 C ATOM 1910 NZ LYS A 120 -19.765 -21.648 -2.416 1.00 0.00 N ATOM 1911 OXT LYS A 120 -13.782 -21.981 1.333 1.00 0.00 O ATOM 0 H LYS A 120 -15.019 -18.545 0.042 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.694 -20.393 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -16.348 -22.023 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -17.435 -20.657 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.369 -19.584 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.283 -20.951 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -17.050 -21.343 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.334 -22.446 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.917 -20.696 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -18.745 -19.804 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -20.696 -21.211 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -19.585 -21.730 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.752 -22.594 -1.985 1.00 0.00 H new TER 1925 LYS A 120