USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 896 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc=-0.00574 (180deg=-0.0766) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= 0.555 (180deg=-0.248) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.206 K(o=0.21,f=-6.6!) USER MOD Single : A 29 MET CE :methyl -159:sc= -0.022 (180deg=-0.425) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 70:sc= -4.97! USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0.467 (180deg=-0.134) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.029) USER MOD Single : A 76 GLN : amide:sc= -4.23 K(o=-4.2,f=-8.1!) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.2) USER MOD Single : A 78 CYS SG : rot -104:sc= -10.1! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 105:sc= 0.623 USER MOD Single : A 88 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00839) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -30:sc= -1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.084 -5.395 -20.861 1.00 1.00 N ATOM 2 CA MET A 1 -14.198 -6.186 -21.467 1.00 1.00 C ATOM 3 C MET A 1 -15.527 -5.847 -20.765 1.00 1.00 C ATOM 4 O MET A 1 -16.379 -6.702 -20.582 1.00 1.00 O ATOM 5 CB MET A 1 -13.895 -7.683 -21.315 1.00 1.00 C ATOM 6 CG MET A 1 -14.469 -8.448 -22.510 1.00 1.00 C ATOM 7 SD MET A 1 -13.458 -9.916 -22.829 1.00 1.00 S ATOM 8 CE MET A 1 -14.551 -10.684 -24.050 1.00 1.00 C ATOM 0 H1 MET A 1 -12.174 -5.737 -21.231 1.00 1.00 H new ATOM 0 H2 MET A 1 -13.200 -4.390 -21.102 1.00 1.00 H new ATOM 0 H3 MET A 1 -13.101 -5.507 -19.827 1.00 1.00 H new ATOM 0 HA MET A 1 -14.286 -5.937 -22.524 1.00 1.00 H new ATOM 0 HB2 MET A 1 -12.818 -7.842 -21.252 1.00 1.00 H new ATOM 0 HB3 MET A 1 -14.327 -8.059 -20.388 1.00 1.00 H new ATOM 0 HG2 MET A 1 -15.499 -8.740 -22.308 1.00 1.00 H new ATOM 0 HG3 MET A 1 -14.487 -7.807 -23.391 1.00 1.00 H new ATOM 0 HE1 MET A 1 -14.114 -11.623 -24.390 1.00 1.00 H new ATOM 0 HE2 MET A 1 -15.523 -10.879 -23.597 1.00 1.00 H new ATOM 0 HE3 MET A 1 -14.676 -10.013 -24.900 1.00 1.00 H new ATOM 20 N ALA A 2 -15.711 -4.605 -20.374 1.00 1.00 N ATOM 21 CA ALA A 2 -16.979 -4.205 -19.687 1.00 1.00 C ATOM 22 C ALA A 2 -17.091 -2.676 -19.662 1.00 1.00 C ATOM 23 O ALA A 2 -16.258 -1.993 -19.092 1.00 1.00 O ATOM 24 CB ALA A 2 -16.975 -4.742 -18.252 1.00 1.00 C ATOM 0 H ALA A 2 -15.035 -3.852 -20.502 1.00 1.00 H new ATOM 0 HA ALA A 2 -17.829 -4.620 -20.228 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -17.899 -4.451 -17.752 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -16.900 -5.829 -18.271 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -16.124 -4.329 -17.711 1.00 1.00 H new ATOM 30 N GLU A 3 -18.119 -2.138 -20.277 1.00 1.00 N ATOM 31 CA GLU A 3 -18.303 -0.654 -20.295 1.00 1.00 C ATOM 32 C GLU A 3 -19.788 -0.325 -20.086 1.00 1.00 C ATOM 33 O GLU A 3 -20.511 -0.025 -21.022 1.00 1.00 O ATOM 34 CB GLU A 3 -17.824 -0.091 -21.641 1.00 1.00 C ATOM 35 CG GLU A 3 -16.292 -0.031 -21.661 1.00 1.00 C ATOM 36 CD GLU A 3 -15.805 1.133 -20.789 1.00 1.00 C ATOM 37 OE1 GLU A 3 -15.760 2.245 -21.290 1.00 1.00 O ATOM 38 OE2 GLU A 3 -15.484 0.892 -19.636 1.00 1.00 O ATOM 0 H GLU A 3 -18.840 -2.667 -20.768 1.00 1.00 H new ATOM 0 HA GLU A 3 -17.718 -0.202 -19.494 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -18.184 -0.718 -22.457 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -18.239 0.905 -21.798 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -15.878 -0.970 -21.294 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -15.937 0.096 -22.684 1.00 1.00 H new ATOM 45 N GLN A 4 -20.243 -0.389 -18.858 1.00 1.00 N ATOM 46 CA GLN A 4 -21.677 -0.088 -18.559 1.00 1.00 C ATOM 47 C GLN A 4 -21.770 0.904 -17.392 1.00 1.00 C ATOM 48 O GLN A 4 -20.825 1.089 -16.643 1.00 1.00 O ATOM 49 CB GLN A 4 -22.401 -1.388 -18.190 1.00 1.00 C ATOM 50 CG GLN A 4 -23.801 -1.390 -18.814 1.00 1.00 C ATOM 51 CD GLN A 4 -23.724 -1.920 -20.249 1.00 1.00 C ATOM 52 OE1 GLN A 4 -23.475 -1.170 -21.173 1.00 1.00 O ATOM 53 NE2 GLN A 4 -23.929 -3.189 -20.478 1.00 1.00 N ATOM 0 H GLN A 4 -19.679 -0.638 -18.046 1.00 1.00 H new ATOM 0 HA GLN A 4 -22.145 0.354 -19.439 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -21.832 -2.247 -18.546 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -22.474 -1.481 -17.106 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -24.473 -2.011 -18.222 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -24.213 -0.381 -18.810 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -24.138 -3.820 -19.704 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -23.880 -3.550 -21.431 1.00 1.00 H new ATOM 62 N GLN A 5 -22.909 1.538 -17.232 1.00 1.00 N ATOM 63 CA GLN A 5 -23.086 2.520 -16.116 1.00 1.00 C ATOM 64 C GLN A 5 -23.050 1.786 -14.769 1.00 1.00 C ATOM 65 O GLN A 5 -23.463 0.644 -14.663 1.00 1.00 O ATOM 66 CB GLN A 5 -24.431 3.235 -16.274 1.00 1.00 C ATOM 67 CG GLN A 5 -24.322 4.290 -17.379 1.00 1.00 C ATOM 68 CD GLN A 5 -24.944 3.750 -18.670 1.00 1.00 C ATOM 69 OE1 GLN A 5 -24.260 3.172 -19.493 1.00 1.00 O ATOM 70 NE2 GLN A 5 -26.221 3.913 -18.885 1.00 1.00 N ATOM 0 H GLN A 5 -23.726 1.416 -17.830 1.00 1.00 H new ATOM 0 HA GLN A 5 -22.279 3.252 -16.148 1.00 1.00 H new ATOM 0 HB2 GLN A 5 -25.211 2.515 -16.520 1.00 1.00 H new ATOM 0 HB3 GLN A 5 -24.717 3.706 -15.334 1.00 1.00 H new ATOM 0 HG2 GLN A 5 -24.830 5.205 -17.074 1.00 1.00 H new ATOM 0 HG3 GLN A 5 -23.276 4.548 -17.548 1.00 1.00 H new ATOM 0 HE21 GLN A 5 -26.796 4.397 -18.196 1.00 1.00 H new ATOM 0 HE22 GLN A 5 -26.644 3.556 -19.742 1.00 1.00 H new ATOM 79 N GLN A 6 -22.549 2.441 -13.742 1.00 1.00 N ATOM 80 CA GLN A 6 -22.464 1.805 -12.389 1.00 1.00 C ATOM 81 C GLN A 6 -21.595 0.540 -12.477 1.00 1.00 C ATOM 82 O GLN A 6 -22.064 -0.571 -12.290 1.00 1.00 O ATOM 83 CB GLN A 6 -23.873 1.454 -11.890 1.00 1.00 C ATOM 84 CG GLN A 6 -23.855 1.310 -10.365 1.00 1.00 C ATOM 85 CD GLN A 6 -25.271 1.025 -9.859 1.00 1.00 C ATOM 86 OE1 GLN A 6 -25.976 1.927 -9.451 1.00 1.00 O ATOM 87 NE2 GLN A 6 -25.722 -0.201 -9.865 1.00 1.00 N ATOM 0 H GLN A 6 -22.194 3.396 -13.788 1.00 1.00 H new ATOM 0 HA GLN A 6 -22.010 2.501 -11.683 1.00 1.00 H new ATOM 0 HB2 GLN A 6 -24.578 2.231 -12.184 1.00 1.00 H new ATOM 0 HB3 GLN A 6 -24.212 0.526 -12.349 1.00 1.00 H new ATOM 0 HG2 GLN A 6 -23.184 0.501 -10.074 1.00 1.00 H new ATOM 0 HG3 GLN A 6 -23.471 2.222 -9.908 1.00 1.00 H new ATOM 0 HE21 GLN A 6 -25.132 -0.960 -10.207 1.00 1.00 H new ATOM 0 HE22 GLN A 6 -26.664 -0.400 -9.528 1.00 1.00 H new ATOM 96 N GLU A 7 -20.327 0.709 -12.770 1.00 1.00 N ATOM 97 CA GLU A 7 -19.407 -0.463 -12.884 1.00 1.00 C ATOM 98 C GLU A 7 -18.206 -0.269 -11.953 1.00 1.00 C ATOM 99 O GLU A 7 -17.633 0.805 -11.880 1.00 1.00 O ATOM 100 CB GLU A 7 -18.919 -0.582 -14.331 1.00 1.00 C ATOM 101 CG GLU A 7 -18.587 -2.043 -14.645 1.00 1.00 C ATOM 102 CD GLU A 7 -18.041 -2.150 -16.072 1.00 1.00 C ATOM 103 OE1 GLU A 7 -18.840 -2.296 -16.983 1.00 1.00 O ATOM 104 OE2 GLU A 7 -16.832 -2.086 -16.229 1.00 1.00 O ATOM 0 H GLU A 7 -19.889 1.615 -12.936 1.00 1.00 H new ATOM 0 HA GLU A 7 -19.938 -1.372 -12.600 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -19.686 -0.218 -15.015 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -18.037 0.041 -14.480 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -17.852 -2.420 -13.934 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -19.479 -2.660 -14.539 1.00 1.00 H new ATOM 111 N GLN A 8 -17.818 -1.304 -11.247 1.00 1.00 N ATOM 112 CA GLN A 8 -16.650 -1.195 -10.321 1.00 1.00 C ATOM 113 C GLN A 8 -15.357 -1.416 -11.115 1.00 1.00 C ATOM 114 O GLN A 8 -15.090 -2.505 -11.596 1.00 1.00 O ATOM 115 CB GLN A 8 -16.770 -2.249 -9.214 1.00 1.00 C ATOM 116 CG GLN A 8 -15.999 -1.783 -7.976 1.00 1.00 C ATOM 117 CD GLN A 8 -16.645 -2.370 -6.718 1.00 1.00 C ATOM 118 OE1 GLN A 8 -17.465 -1.731 -6.088 1.00 1.00 O ATOM 119 NE2 GLN A 8 -16.307 -3.567 -6.322 1.00 1.00 N ATOM 0 H GLN A 8 -18.262 -2.222 -11.273 1.00 1.00 H new ATOM 0 HA GLN A 8 -16.632 -0.205 -9.866 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -17.818 -2.410 -8.963 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -16.376 -3.204 -9.562 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -14.958 -2.098 -8.043 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -15.999 -0.694 -7.923 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -15.619 -4.104 -6.850 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -16.731 -3.966 -5.484 1.00 1.00 H new ATOM 128 N GLN A 9 -14.559 -0.384 -11.262 1.00 1.00 N ATOM 129 CA GLN A 9 -13.283 -0.514 -12.032 1.00 1.00 C ATOM 130 C GLN A 9 -12.140 -0.927 -11.097 1.00 1.00 C ATOM 131 O GLN A 9 -12.144 -0.619 -9.916 1.00 1.00 O ATOM 132 CB GLN A 9 -12.943 0.827 -12.690 1.00 1.00 C ATOM 133 CG GLN A 9 -13.851 1.049 -13.903 1.00 1.00 C ATOM 134 CD GLN A 9 -14.539 2.412 -13.788 1.00 1.00 C ATOM 135 OE1 GLN A 9 -14.059 3.394 -14.318 1.00 1.00 O ATOM 136 NE2 GLN A 9 -15.653 2.515 -13.115 1.00 1.00 N ATOM 0 H GLN A 9 -14.738 0.545 -10.880 1.00 1.00 H new ATOM 0 HA GLN A 9 -13.409 -1.278 -12.799 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -13.072 1.638 -11.973 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -11.898 0.837 -12.999 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -13.266 1.002 -14.821 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -14.598 0.257 -13.960 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -16.058 1.692 -12.669 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -16.119 3.419 -13.035 1.00 1.00 H new ATOM 145 N ILE A 10 -11.163 -1.625 -11.626 1.00 1.00 N ATOM 146 CA ILE A 10 -10.002 -2.077 -10.795 1.00 1.00 C ATOM 147 C ILE A 10 -9.164 -0.868 -10.344 1.00 1.00 C ATOM 148 O ILE A 10 -8.609 -0.868 -9.260 1.00 1.00 O ATOM 149 CB ILE A 10 -9.130 -3.044 -11.611 1.00 1.00 C ATOM 150 CG1 ILE A 10 -8.714 -2.392 -12.938 1.00 1.00 C ATOM 151 CG2 ILE A 10 -9.929 -4.316 -11.905 1.00 1.00 C ATOM 152 CD1 ILE A 10 -7.645 -3.248 -13.622 1.00 1.00 C ATOM 0 H ILE A 10 -11.120 -1.903 -12.606 1.00 1.00 H new ATOM 0 HA ILE A 10 -10.378 -2.589 -9.909 1.00 1.00 H new ATOM 0 HB ILE A 10 -8.236 -3.287 -11.037 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -9.581 -2.287 -13.590 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -8.329 -1.389 -12.756 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -9.315 -5.006 -12.484 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -10.219 -4.789 -10.967 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -10.823 -4.061 -12.474 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -7.353 -2.782 -14.563 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -6.774 -3.330 -12.972 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -8.046 -4.242 -13.819 1.00 1.00 H new ATOM 164 N ARG A 11 -9.070 0.160 -11.166 1.00 1.00 N ATOM 165 CA ARG A 11 -8.273 1.378 -10.792 1.00 1.00 C ATOM 166 C ARG A 11 -6.790 1.027 -10.599 1.00 1.00 C ATOM 167 O ARG A 11 -6.035 1.776 -10.004 1.00 1.00 O ATOM 168 CB ARG A 11 -8.828 1.958 -9.494 1.00 1.00 C ATOM 169 CG ARG A 11 -9.429 3.343 -9.753 1.00 1.00 C ATOM 170 CD ARG A 11 -8.376 4.423 -9.483 1.00 1.00 C ATOM 171 NE ARG A 11 -7.906 4.327 -8.069 1.00 1.00 N ATOM 172 CZ ARG A 11 -8.678 4.727 -7.092 1.00 1.00 C ATOM 173 NH1 ARG A 11 -8.725 5.995 -6.774 1.00 1.00 N ATOM 174 NH2 ARG A 11 -9.401 3.859 -6.434 1.00 1.00 N ATOM 0 H ARG A 11 -9.514 0.205 -12.083 1.00 1.00 H new ATOM 0 HA ARG A 11 -8.352 2.108 -11.598 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -9.589 1.293 -9.085 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -8.035 2.030 -8.750 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -9.778 3.411 -10.783 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -10.296 3.499 -9.112 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -7.534 4.302 -10.165 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -8.798 5.410 -9.670 1.00 1.00 H new ATOM 0 HE ARG A 11 -6.981 3.949 -7.865 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -8.160 6.671 -7.288 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -9.327 6.308 -6.012 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -9.363 2.871 -6.683 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -10.003 4.170 -5.672 1.00 1.00 H new ATOM 188 N VAL A 12 -6.377 -0.099 -11.107 1.00 1.00 N ATOM 189 CA VAL A 12 -4.948 -0.525 -10.976 1.00 1.00 C ATOM 190 C VAL A 12 -4.107 0.138 -12.085 1.00 1.00 C ATOM 191 O VAL A 12 -4.619 0.896 -12.891 1.00 1.00 O ATOM 192 CB VAL A 12 -4.871 -2.063 -11.072 1.00 1.00 C ATOM 193 CG1 VAL A 12 -4.693 -2.505 -12.530 1.00 1.00 C ATOM 194 CG2 VAL A 12 -3.691 -2.571 -10.237 1.00 1.00 C ATOM 0 H VAL A 12 -6.973 -0.753 -11.614 1.00 1.00 H new ATOM 0 HA VAL A 12 -4.549 -0.212 -10.011 1.00 1.00 H new ATOM 0 HB VAL A 12 -5.802 -2.483 -10.690 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -4.641 -3.593 -12.577 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -5.539 -2.157 -13.122 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -3.772 -2.080 -12.929 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -3.638 -3.658 -10.306 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -2.765 -2.138 -10.615 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -3.830 -2.280 -9.196 1.00 1.00 H new ATOM 204 N ARG A 13 -2.819 -0.140 -12.122 1.00 1.00 N ATOM 205 CA ARG A 13 -1.928 0.466 -13.164 1.00 1.00 C ATOM 206 C ARG A 13 -1.814 1.980 -12.917 1.00 1.00 C ATOM 207 O ARG A 13 -2.293 2.791 -13.693 1.00 1.00 O ATOM 208 CB ARG A 13 -2.503 0.191 -14.563 1.00 1.00 C ATOM 209 CG ARG A 13 -1.377 0.224 -15.600 1.00 1.00 C ATOM 210 CD ARG A 13 -1.977 0.347 -17.002 1.00 1.00 C ATOM 211 NE ARG A 13 -0.969 -0.077 -18.016 1.00 1.00 N ATOM 212 CZ ARG A 13 -1.331 -0.820 -19.029 1.00 1.00 C ATOM 213 NH1 ARG A 13 -1.733 -0.259 -20.140 1.00 1.00 N ATOM 214 NH2 ARG A 13 -1.291 -2.123 -18.929 1.00 1.00 N ATOM 0 H ARG A 13 -2.347 -0.765 -11.469 1.00 1.00 H new ATOM 0 HA ARG A 13 -0.935 0.021 -13.104 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -2.997 -0.781 -14.579 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -3.259 0.937 -14.809 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -0.711 1.064 -15.403 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.776 -0.682 -15.529 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -2.871 -0.272 -17.082 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -2.284 1.376 -17.188 1.00 1.00 H new ATOM 0 HE ARG A 13 0.004 0.213 -17.919 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -1.764 0.758 -20.216 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -2.016 -0.838 -20.931 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -0.978 -2.559 -18.062 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -1.573 -2.704 -19.718 1.00 1.00 H new ATOM 228 N ILE A 14 -1.180 2.358 -11.832 1.00 1.00 N ATOM 229 CA ILE A 14 -1.020 3.810 -11.506 1.00 1.00 C ATOM 230 C ILE A 14 0.303 4.330 -12.099 1.00 1.00 C ATOM 231 O ILE A 14 1.325 3.673 -11.997 1.00 1.00 O ATOM 232 CB ILE A 14 -1.030 3.989 -9.975 1.00 1.00 C ATOM 233 CG1 ILE A 14 -1.116 5.480 -9.625 1.00 1.00 C ATOM 234 CG2 ILE A 14 0.246 3.399 -9.363 1.00 1.00 C ATOM 235 CD1 ILE A 14 -2.571 5.945 -9.711 1.00 1.00 C ATOM 0 H ILE A 14 -0.764 1.718 -11.155 1.00 1.00 H new ATOM 0 HA ILE A 14 -1.843 4.380 -11.937 1.00 1.00 H new ATOM 0 HB ILE A 14 -1.897 3.467 -9.570 1.00 1.00 H new ATOM 0 HG12 ILE A 14 -0.728 5.651 -8.621 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.497 6.061 -10.309 1.00 1.00 H new ATOM 0 HG21 ILE A 14 0.226 3.532 -8.281 1.00 1.00 H new ATOM 0 HG22 ILE A 14 0.304 2.336 -9.597 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.117 3.909 -9.775 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -2.630 7.005 -9.462 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -2.944 5.789 -10.723 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -3.178 5.373 -9.009 1.00 1.00 H new ATOM 247 N PRO A 15 0.244 5.499 -12.704 1.00 1.00 N ATOM 248 CA PRO A 15 1.426 6.137 -13.324 1.00 1.00 C ATOM 249 C PRO A 15 2.343 6.751 -12.253 1.00 1.00 C ATOM 250 O PRO A 15 2.053 6.695 -11.070 1.00 1.00 O ATOM 251 CB PRO A 15 0.820 7.222 -14.222 1.00 1.00 C ATOM 252 CG PRO A 15 -0.587 7.522 -13.656 1.00 1.00 C ATOM 253 CD PRO A 15 -1.000 6.292 -12.828 1.00 1.00 C ATOM 0 HA PRO A 15 2.049 5.433 -13.876 1.00 1.00 H new ATOM 0 HB2 PRO A 15 1.439 8.119 -14.219 1.00 1.00 H new ATOM 0 HB3 PRO A 15 0.758 6.881 -15.255 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -0.572 8.419 -13.037 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -1.298 7.703 -14.462 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.386 6.582 -11.851 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.786 5.724 -13.325 1.00 1.00 H new ATOM 261 N ARG A 16 3.450 7.331 -12.671 1.00 1.00 N ATOM 262 CA ARG A 16 4.417 7.956 -11.708 1.00 1.00 C ATOM 263 C ARG A 16 5.036 6.871 -10.813 1.00 1.00 C ATOM 264 O ARG A 16 4.427 6.410 -9.863 1.00 1.00 O ATOM 265 CB ARG A 16 3.701 9.005 -10.844 1.00 1.00 C ATOM 266 CG ARG A 16 3.882 10.393 -11.465 1.00 1.00 C ATOM 267 CD ARG A 16 4.342 11.379 -10.389 1.00 1.00 C ATOM 268 NE ARG A 16 4.416 12.750 -10.970 1.00 1.00 N ATOM 269 CZ ARG A 16 3.501 13.635 -10.677 1.00 1.00 C ATOM 270 NH1 ARG A 16 2.397 13.689 -11.375 1.00 1.00 N ATOM 271 NH2 ARG A 16 3.691 14.466 -9.684 1.00 1.00 N ATOM 0 H ARG A 16 3.726 7.397 -13.651 1.00 1.00 H new ATOM 0 HA ARG A 16 5.209 8.448 -12.272 1.00 1.00 H new ATOM 0 HB2 ARG A 16 2.640 8.765 -10.768 1.00 1.00 H new ATOM 0 HB3 ARG A 16 4.104 8.993 -9.831 1.00 1.00 H new ATOM 0 HG2 ARG A 16 4.615 10.350 -12.271 1.00 1.00 H new ATOM 0 HG3 ARG A 16 2.944 10.731 -11.906 1.00 1.00 H new ATOM 0 HD2 ARG A 16 3.649 11.366 -9.548 1.00 1.00 H new ATOM 0 HD3 ARG A 16 5.317 11.083 -10.003 1.00 1.00 H new ATOM 0 HE ARG A 16 5.182 12.997 -11.597 1.00 1.00 H new ATOM 0 HH11 ARG A 16 2.250 13.040 -12.148 1.00 1.00 H new ATOM 0 HH12 ARG A 16 1.682 14.380 -11.146 1.00 1.00 H new ATOM 0 HH21 ARG A 16 4.553 14.422 -9.140 1.00 1.00 H new ATOM 0 HH22 ARG A 16 2.977 15.158 -9.454 1.00 1.00 H new ATOM 285 N LYS A 17 6.246 6.464 -11.118 1.00 1.00 N ATOM 286 CA LYS A 17 6.927 5.410 -10.303 1.00 1.00 C ATOM 287 C LYS A 17 8.431 5.416 -10.620 1.00 1.00 C ATOM 288 O LYS A 17 8.947 4.532 -11.284 1.00 1.00 O ATOM 289 CB LYS A 17 6.318 4.032 -10.622 1.00 1.00 C ATOM 290 CG LYS A 17 6.214 3.837 -12.141 1.00 1.00 C ATOM 291 CD LYS A 17 4.739 3.799 -12.554 1.00 1.00 C ATOM 292 CE LYS A 17 4.613 3.168 -13.943 1.00 1.00 C ATOM 293 NZ LYS A 17 3.210 2.708 -14.158 1.00 1.00 N ATOM 0 H LYS A 17 6.793 6.820 -11.902 1.00 1.00 H new ATOM 0 HA LYS A 17 6.785 5.617 -9.242 1.00 1.00 H new ATOM 0 HB2 LYS A 17 6.935 3.245 -10.188 1.00 1.00 H new ATOM 0 HB3 LYS A 17 5.330 3.949 -10.169 1.00 1.00 H new ATOM 0 HG2 LYS A 17 6.726 4.649 -12.658 1.00 1.00 H new ATOM 0 HG3 LYS A 17 6.708 2.911 -12.434 1.00 1.00 H new ATOM 0 HD2 LYS A 17 4.162 3.225 -11.829 1.00 1.00 H new ATOM 0 HD3 LYS A 17 4.327 4.808 -12.563 1.00 1.00 H new ATOM 0 HE2 LYS A 17 4.890 3.892 -14.709 1.00 1.00 H new ATOM 0 HE3 LYS A 17 5.300 2.327 -14.035 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 3.184 1.668 -14.176 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 2.608 3.055 -13.384 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 2.858 3.079 -15.064 1.00 1.00 H new ATOM 307 N GLU A 18 9.134 6.420 -10.149 1.00 1.00 N ATOM 308 CA GLU A 18 10.605 6.514 -10.412 1.00 1.00 C ATOM 309 C GLU A 18 11.344 5.418 -9.633 1.00 1.00 C ATOM 310 O GLU A 18 12.127 4.674 -10.196 1.00 1.00 O ATOM 311 CB GLU A 18 11.115 7.891 -9.971 1.00 1.00 C ATOM 312 CG GLU A 18 12.493 8.151 -10.588 1.00 1.00 C ATOM 313 CD GLU A 18 12.759 9.659 -10.640 1.00 1.00 C ATOM 314 OE1 GLU A 18 13.292 10.182 -9.674 1.00 1.00 O ATOM 315 OE2 GLU A 18 12.428 10.266 -11.647 1.00 1.00 O ATOM 0 H GLU A 18 8.749 7.182 -9.591 1.00 1.00 H new ATOM 0 HA GLU A 18 10.790 6.381 -11.478 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.414 8.666 -10.282 1.00 1.00 H new ATOM 0 HB3 GLU A 18 11.178 7.935 -8.884 1.00 1.00 H new ATOM 0 HG2 GLU A 18 13.265 7.656 -9.999 1.00 1.00 H new ATOM 0 HG3 GLU A 18 12.538 7.729 -11.592 1.00 1.00 H new ATOM 322 N GLU A 19 11.101 5.316 -8.345 1.00 1.00 N ATOM 323 CA GLU A 19 11.784 4.271 -7.520 1.00 1.00 C ATOM 324 C GLU A 19 10.754 3.250 -7.004 1.00 1.00 C ATOM 325 O GLU A 19 10.965 2.606 -5.990 1.00 1.00 O ATOM 326 CB GLU A 19 12.485 4.947 -6.333 1.00 1.00 C ATOM 327 CG GLU A 19 13.859 4.304 -6.108 1.00 1.00 C ATOM 328 CD GLU A 19 13.831 3.455 -4.832 1.00 1.00 C ATOM 329 OE1 GLU A 19 13.956 4.025 -3.760 1.00 1.00 O ATOM 330 OE2 GLU A 19 13.688 2.248 -4.949 1.00 1.00 O ATOM 0 H GLU A 19 10.456 5.915 -7.830 1.00 1.00 H new ATOM 0 HA GLU A 19 12.519 3.749 -8.132 1.00 1.00 H new ATOM 0 HB2 GLU A 19 12.599 6.014 -6.526 1.00 1.00 H new ATOM 0 HB3 GLU A 19 11.876 4.849 -5.435 1.00 1.00 H new ATOM 0 HG2 GLU A 19 14.125 3.683 -6.963 1.00 1.00 H new ATOM 0 HG3 GLU A 19 14.623 5.077 -6.025 1.00 1.00 H new ATOM 337 N ASN A 20 9.643 3.093 -7.699 1.00 1.00 N ATOM 338 CA ASN A 20 8.591 2.115 -7.265 1.00 1.00 C ATOM 339 C ASN A 20 7.997 2.535 -5.909 1.00 1.00 C ATOM 340 O ASN A 20 8.440 3.486 -5.288 1.00 1.00 O ATOM 341 CB ASN A 20 9.208 0.714 -7.147 1.00 1.00 C ATOM 342 CG ASN A 20 8.312 -0.308 -7.855 1.00 1.00 C ATOM 343 OD1 ASN A 20 8.283 -0.370 -9.069 1.00 1.00 O ATOM 344 ND2 ASN A 20 7.576 -1.119 -7.144 1.00 1.00 N ATOM 0 H ASN A 20 9.422 3.605 -8.553 1.00 1.00 H new ATOM 0 HA ASN A 20 7.794 2.101 -8.008 1.00 1.00 H new ATOM 0 HB2 ASN A 20 10.204 0.707 -7.590 1.00 1.00 H new ATOM 0 HB3 ASN A 20 9.324 0.445 -6.097 1.00 1.00 H new ATOM 0 HD21 ASN A 20 6.978 -1.803 -7.607 1.00 1.00 H new ATOM 0 HD22 ASN A 20 7.599 -1.068 -6.126 1.00 1.00 H new ATOM 351 N GLU A 21 6.993 1.824 -5.451 1.00 1.00 N ATOM 352 CA GLU A 21 6.356 2.159 -4.139 1.00 1.00 C ATOM 353 C GLU A 21 6.341 0.917 -3.238 1.00 1.00 C ATOM 354 O GLU A 21 6.685 -0.175 -3.660 1.00 1.00 O ATOM 355 CB GLU A 21 4.921 2.641 -4.376 1.00 1.00 C ATOM 356 CG GLU A 21 4.947 4.056 -4.965 1.00 1.00 C ATOM 357 CD GLU A 21 3.667 4.802 -4.573 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.629 5.343 -3.479 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.747 4.821 -5.375 1.00 1.00 O ATOM 0 H GLU A 21 6.586 1.022 -5.933 1.00 1.00 H new ATOM 0 HA GLU A 21 6.928 2.948 -3.651 1.00 1.00 H new ATOM 0 HB2 GLU A 21 4.406 1.962 -5.056 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.365 2.636 -3.438 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.821 4.596 -4.600 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.033 4.007 -6.050 1.00 1.00 H new ATOM 366 N ILE A 22 5.944 1.079 -1.999 1.00 1.00 N ATOM 367 CA ILE A 22 5.899 -0.067 -1.056 1.00 1.00 C ATOM 368 C ILE A 22 4.422 -0.395 -0.775 1.00 1.00 C ATOM 369 O ILE A 22 3.554 0.425 -1.030 1.00 1.00 O ATOM 370 CB ILE A 22 6.655 0.357 0.204 1.00 1.00 C ATOM 371 CG1 ILE A 22 8.107 -0.122 0.095 1.00 1.00 C ATOM 372 CG2 ILE A 22 6.006 -0.232 1.444 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.988 1.020 -0.417 1.00 1.00 C ATOM 0 H ILE A 22 5.647 1.970 -1.602 1.00 1.00 H new ATOM 0 HA ILE A 22 6.367 -0.967 -1.456 1.00 1.00 H new ATOM 0 HB ILE A 22 6.627 1.443 0.291 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.463 -0.461 1.068 1.00 1.00 H new ATOM 0 HG13 ILE A 22 8.169 -0.974 -0.582 1.00 1.00 H new ATOM 0 HG21 ILE A 22 6.560 0.082 2.329 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.976 0.118 1.517 1.00 1.00 H new ATOM 0 HG23 ILE A 22 6.015 -1.320 1.378 1.00 1.00 H new ATOM 0 HD11 ILE A 22 10.020 0.677 -0.494 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.637 1.338 -1.399 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.935 1.859 0.276 1.00 1.00 H new ATOM 385 N LEU A 23 4.106 -1.577 -0.275 1.00 1.00 N ATOM 386 CA LEU A 23 2.634 -1.879 -0.033 1.00 1.00 C ATOM 387 C LEU A 23 2.436 -2.292 1.417 1.00 1.00 C ATOM 388 O LEU A 23 3.042 -3.244 1.855 1.00 1.00 O ATOM 389 CB LEU A 23 2.106 -3.004 -0.960 1.00 1.00 C ATOM 390 CG LEU A 23 3.211 -3.683 -1.802 1.00 1.00 C ATOM 391 CD1 LEU A 23 3.895 -2.664 -2.719 1.00 1.00 C ATOM 392 CD2 LEU A 23 4.247 -4.352 -0.891 1.00 1.00 C ATOM 0 H LEU A 23 4.763 -2.318 -0.032 1.00 1.00 H new ATOM 0 HA LEU A 23 2.071 -0.973 -0.256 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.608 -3.760 -0.353 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.354 -2.588 -1.631 1.00 1.00 H new ATOM 0 HG LEU A 23 2.744 -4.449 -2.421 1.00 1.00 H new ATOM 0 HD11 LEU A 23 4.669 -3.162 -3.303 1.00 1.00 H new ATOM 0 HD12 LEU A 23 3.157 -2.228 -3.392 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.346 -1.876 -2.115 1.00 1.00 H new ATOM 0 HD21 LEU A 23 5.017 -4.825 -1.501 1.00 1.00 H new ATOM 0 HD22 LEU A 23 4.705 -3.601 -0.247 1.00 1.00 H new ATOM 0 HD23 LEU A 23 3.757 -5.107 -0.276 1.00 1.00 H new ATOM 404 N GLY A 24 1.628 -1.601 2.193 1.00 1.00 N ATOM 405 CA GLY A 24 1.496 -2.011 3.627 1.00 1.00 C ATOM 406 C GLY A 24 0.068 -1.891 4.139 1.00 1.00 C ATOM 407 O GLY A 24 -0.757 -1.198 3.579 1.00 1.00 O ATOM 0 H GLY A 24 1.071 -0.796 1.905 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.833 -3.041 3.739 1.00 1.00 H new ATOM 0 HA3 GLY A 24 2.151 -1.392 4.240 1.00 1.00 H new ATOM 411 N ILE A 25 -0.211 -2.554 5.233 1.00 1.00 N ATOM 412 CA ILE A 25 -1.569 -2.484 5.842 1.00 1.00 C ATOM 413 C ILE A 25 -1.526 -1.453 6.981 1.00 1.00 C ATOM 414 O ILE A 25 -0.552 -1.367 7.717 1.00 1.00 O ATOM 415 CB ILE A 25 -1.972 -3.862 6.396 1.00 1.00 C ATOM 416 CG1 ILE A 25 -0.931 -4.353 7.413 1.00 1.00 C ATOM 417 CG2 ILE A 25 -2.064 -4.869 5.247 1.00 1.00 C ATOM 418 CD1 ILE A 25 -1.587 -5.345 8.377 1.00 1.00 C ATOM 0 H ILE A 25 0.452 -3.146 5.733 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.303 -2.190 5.092 1.00 1.00 H new ATOM 0 HB ILE A 25 -2.940 -3.772 6.889 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -0.098 -4.829 6.896 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -0.521 -3.508 7.967 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.349 -5.845 5.640 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.812 -4.534 4.529 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.096 -4.946 4.753 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -0.848 -5.694 9.099 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -2.405 -4.854 8.904 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -1.975 -6.195 7.816 1.00 1.00 H new ATOM 430 N ILE A 26 -2.560 -0.659 7.112 1.00 1.00 N ATOM 431 CA ILE A 26 -2.589 0.388 8.176 1.00 1.00 C ATOM 432 C ILE A 26 -3.405 -0.073 9.387 1.00 1.00 C ATOM 433 O ILE A 26 -4.341 -0.858 9.284 1.00 1.00 O ATOM 434 CB ILE A 26 -3.201 1.678 7.617 1.00 1.00 C ATOM 435 CG1 ILE A 26 -2.866 2.860 8.533 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.719 1.530 7.550 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.350 3.037 8.634 1.00 1.00 C ATOM 0 H ILE A 26 -3.391 -0.693 6.522 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.563 0.569 8.498 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.793 1.859 6.622 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -3.321 3.771 8.144 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -3.287 2.692 9.524 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -5.157 2.446 7.153 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -4.975 0.694 6.899 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -5.111 1.345 8.550 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.125 3.880 9.287 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.904 2.131 9.044 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -0.939 3.227 7.642 1.00 1.00 H new ATOM 449 N GLU A 27 -3.038 0.448 10.528 1.00 1.00 N ATOM 450 CA GLU A 27 -3.735 0.124 11.805 1.00 1.00 C ATOM 451 C GLU A 27 -3.780 1.377 12.693 1.00 1.00 C ATOM 452 O GLU A 27 -2.798 2.106 12.802 1.00 1.00 O ATOM 453 CB GLU A 27 -2.979 -0.992 12.532 1.00 1.00 C ATOM 454 CG GLU A 27 -3.589 -2.346 12.159 1.00 1.00 C ATOM 455 CD GLU A 27 -3.360 -3.347 13.295 1.00 1.00 C ATOM 456 OE1 GLU A 27 -2.339 -4.014 13.276 1.00 1.00 O ATOM 457 OE2 GLU A 27 -4.213 -3.433 14.165 1.00 1.00 O ATOM 0 H GLU A 27 -2.262 1.103 10.629 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.751 -0.208 11.591 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.924 -0.969 12.260 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -3.033 -0.841 13.610 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.657 -2.235 11.969 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.139 -2.717 11.238 1.00 1.00 H new ATOM 464 N GLN A 28 -4.905 1.615 13.339 1.00 1.00 N ATOM 465 CA GLN A 28 -5.048 2.796 14.252 1.00 1.00 C ATOM 466 C GLN A 28 -6.524 3.004 14.619 1.00 1.00 C ATOM 467 O GLN A 28 -7.372 3.165 13.758 1.00 1.00 O ATOM 468 CB GLN A 28 -4.516 4.066 13.579 1.00 1.00 C ATOM 469 CG GLN A 28 -3.344 4.611 14.400 1.00 1.00 C ATOM 470 CD GLN A 28 -3.813 5.780 15.276 1.00 1.00 C ATOM 471 OE1 GLN A 28 -4.878 5.732 15.860 1.00 1.00 O ATOM 472 NE2 GLN A 28 -3.053 6.835 15.400 1.00 1.00 N ATOM 0 H GLN A 28 -5.738 1.031 13.269 1.00 1.00 H new ATOM 0 HA GLN A 28 -4.469 2.599 15.154 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -4.193 3.846 12.562 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -5.306 4.814 13.508 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -2.930 3.821 15.026 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -2.546 4.942 13.735 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -2.159 6.879 14.912 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -3.354 7.614 15.985 1.00 1.00 H new ATOM 481 N MET A 29 -6.825 3.012 15.897 1.00 1.00 N ATOM 482 CA MET A 29 -8.236 3.222 16.352 1.00 1.00 C ATOM 483 C MET A 29 -8.365 4.603 17.015 1.00 1.00 C ATOM 484 O MET A 29 -9.419 5.213 16.980 1.00 1.00 O ATOM 485 CB MET A 29 -8.615 2.134 17.363 1.00 1.00 C ATOM 486 CG MET A 29 -10.106 2.234 17.704 1.00 1.00 C ATOM 487 SD MET A 29 -11.091 1.981 16.205 1.00 1.00 S ATOM 488 CE MET A 29 -12.139 3.448 16.363 1.00 1.00 C ATOM 0 H MET A 29 -6.148 2.881 16.649 1.00 1.00 H new ATOM 0 HA MET A 29 -8.904 3.169 15.492 1.00 1.00 H new ATOM 0 HB2 MET A 29 -8.393 1.150 16.951 1.00 1.00 H new ATOM 0 HB3 MET A 29 -8.018 2.243 18.268 1.00 1.00 H new ATOM 0 HG2 MET A 29 -10.369 1.488 18.454 1.00 1.00 H new ATOM 0 HG3 MET A 29 -10.326 3.211 18.135 1.00 1.00 H new ATOM 0 HE1 MET A 29 -13.048 3.311 15.777 1.00 1.00 H new ATOM 0 HE2 MET A 29 -12.401 3.597 17.410 1.00 1.00 H new ATOM 0 HE3 MET A 29 -11.600 4.322 15.997 1.00 1.00 H new ATOM 498 N LEU A 30 -7.302 5.095 17.622 1.00 1.00 N ATOM 499 CA LEU A 30 -7.353 6.434 18.295 1.00 1.00 C ATOM 500 C LEU A 30 -7.811 7.502 17.292 1.00 1.00 C ATOM 501 O LEU A 30 -8.790 8.191 17.517 1.00 1.00 O ATOM 502 CB LEU A 30 -5.960 6.799 18.828 1.00 1.00 C ATOM 503 CG LEU A 30 -5.483 5.731 19.820 1.00 1.00 C ATOM 504 CD1 LEU A 30 -4.135 5.170 19.361 1.00 1.00 C ATOM 505 CD2 LEU A 30 -5.326 6.356 21.209 1.00 1.00 C ATOM 0 H LEU A 30 -6.400 4.622 17.678 1.00 1.00 H new ATOM 0 HA LEU A 30 -8.059 6.390 19.124 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.255 6.880 18.001 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -5.992 7.773 19.317 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.216 4.926 19.863 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -3.797 4.411 20.067 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.244 4.723 18.373 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.402 5.975 19.316 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -4.987 5.597 21.914 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -4.594 7.162 21.165 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -6.285 6.755 21.539 1.00 1.00 H new ATOM 517 N GLY A 31 -7.114 7.637 16.186 1.00 1.00 N ATOM 518 CA GLY A 31 -7.503 8.652 15.160 1.00 1.00 C ATOM 519 C GLY A 31 -6.886 10.008 15.510 1.00 1.00 C ATOM 520 O GLY A 31 -7.564 10.902 15.983 1.00 1.00 O ATOM 0 H GLY A 31 -6.290 7.084 15.952 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -7.166 8.333 14.174 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -8.589 8.738 15.114 1.00 1.00 H new ATOM 524 N ALA A 32 -5.603 10.166 15.273 1.00 1.00 N ATOM 525 CA ALA A 32 -4.923 11.463 15.580 1.00 1.00 C ATOM 526 C ALA A 32 -4.327 12.047 14.288 1.00 1.00 C ATOM 527 O ALA A 32 -3.251 12.622 14.293 1.00 1.00 O ATOM 528 CB ALA A 32 -3.811 11.221 16.607 1.00 1.00 C ATOM 0 H ALA A 32 -4.997 9.447 14.878 1.00 1.00 H new ATOM 0 HA ALA A 32 -5.644 12.169 15.991 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -3.313 12.164 16.833 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -4.242 10.810 17.520 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -3.086 10.517 16.199 1.00 1.00 H new ATOM 534 N SER A 33 -5.025 11.894 13.178 1.00 1.00 N ATOM 535 CA SER A 33 -4.530 12.422 11.861 1.00 1.00 C ATOM 536 C SER A 33 -3.306 11.618 11.370 1.00 1.00 C ATOM 537 O SER A 33 -2.752 11.912 10.325 1.00 1.00 O ATOM 538 CB SER A 33 -4.152 13.902 12.004 1.00 1.00 C ATOM 539 OG SER A 33 -4.881 14.669 11.054 1.00 1.00 O ATOM 0 H SER A 33 -5.927 11.420 13.131 1.00 1.00 H new ATOM 0 HA SER A 33 -5.329 12.317 11.127 1.00 1.00 H new ATOM 0 HB2 SER A 33 -4.372 14.249 13.014 1.00 1.00 H new ATOM 0 HB3 SER A 33 -3.081 14.032 11.848 1.00 1.00 H new ATOM 0 HG SER A 33 -4.642 15.615 11.145 1.00 1.00 H new ATOM 545 N ARG A 34 -2.883 10.609 12.105 1.00 1.00 N ATOM 546 CA ARG A 34 -1.705 9.791 11.677 1.00 1.00 C ATOM 547 C ARG A 34 -1.964 8.309 11.997 1.00 1.00 C ATOM 548 O ARG A 34 -2.746 7.978 12.871 1.00 1.00 O ATOM 549 CB ARG A 34 -0.448 10.276 12.412 1.00 1.00 C ATOM 550 CG ARG A 34 -0.631 10.131 13.928 1.00 1.00 C ATOM 551 CD ARG A 34 -0.208 11.429 14.620 1.00 1.00 C ATOM 552 NE ARG A 34 1.236 11.688 14.355 1.00 1.00 N ATOM 553 CZ ARG A 34 2.150 11.102 15.081 1.00 1.00 C ATOM 554 NH1 ARG A 34 2.513 11.627 16.222 1.00 1.00 N ATOM 555 NH2 ARG A 34 2.696 9.988 14.668 1.00 1.00 N ATOM 0 H ARG A 34 -3.308 10.320 12.986 1.00 1.00 H new ATOM 0 HA ARG A 34 -1.554 9.902 10.603 1.00 1.00 H new ATOM 0 HB2 ARG A 34 0.418 9.699 12.086 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.250 11.318 12.160 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -1.672 9.906 14.159 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.034 9.298 14.299 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.810 12.261 14.255 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.384 11.355 15.693 1.00 1.00 H new ATOM 0 HE ARG A 34 1.510 12.324 13.606 1.00 1.00 H new ATOM 0 HH11 ARG A 34 2.082 12.494 16.545 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.227 11.170 16.790 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.408 9.578 13.780 1.00 1.00 H new ATOM 0 HH22 ARG A 34 3.410 9.529 15.234 1.00 1.00 H new ATOM 569 N VAL A 35 -1.319 7.421 11.282 1.00 1.00 N ATOM 570 CA VAL A 35 -1.513 5.951 11.508 1.00 1.00 C ATOM 571 C VAL A 35 -0.190 5.214 11.372 1.00 1.00 C ATOM 572 O VAL A 35 0.806 5.763 10.930 1.00 1.00 O ATOM 573 CB VAL A 35 -2.503 5.356 10.520 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.913 5.790 10.884 1.00 1.00 C ATOM 575 CG2 VAL A 35 -2.151 5.821 9.118 1.00 1.00 C ATOM 0 H VAL A 35 -0.657 7.653 10.541 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.908 5.833 12.517 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.453 4.268 10.557 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.620 5.362 10.174 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -4.153 5.443 11.889 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.979 6.877 10.851 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.858 5.397 8.406 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -2.199 6.909 9.073 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -1.143 5.492 8.868 1.00 1.00 H new ATOM 585 N ARG A 36 -0.179 3.968 11.748 1.00 1.00 N ATOM 586 CA ARG A 36 1.091 3.157 11.646 1.00 1.00 C ATOM 587 C ARG A 36 0.941 2.043 10.605 1.00 1.00 C ATOM 588 O ARG A 36 -0.005 1.274 10.639 1.00 1.00 O ATOM 589 CB ARG A 36 1.447 2.536 13.001 1.00 1.00 C ATOM 590 CG ARG A 36 0.182 2.046 13.716 1.00 1.00 C ATOM 591 CD ARG A 36 0.482 0.743 14.462 1.00 1.00 C ATOM 592 NE ARG A 36 1.183 1.051 15.742 1.00 1.00 N ATOM 593 CZ ARG A 36 2.296 0.435 16.045 1.00 1.00 C ATOM 594 NH1 ARG A 36 3.436 0.884 15.587 1.00 1.00 N ATOM 595 NH2 ARG A 36 2.268 -0.629 16.805 1.00 1.00 N ATOM 0 H ARG A 36 -0.985 3.466 12.122 1.00 1.00 H new ATOM 0 HA ARG A 36 1.891 3.831 11.338 1.00 1.00 H new ATOM 0 HB2 ARG A 36 2.136 1.704 12.857 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.961 3.271 13.621 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.169 2.804 14.416 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.617 1.886 12.992 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.445 0.205 14.663 1.00 1.00 H new ATOM 0 HD3 ARG A 36 1.101 0.092 13.844 1.00 1.00 H new ATOM 0 HE ARG A 36 0.794 1.743 16.382 1.00 1.00 H new ATOM 0 HH11 ARG A 36 3.456 1.714 14.994 1.00 1.00 H new ATOM 0 HH12 ARG A 36 4.305 0.404 15.823 1.00 1.00 H new ATOM 0 HH21 ARG A 36 1.378 -0.978 17.161 1.00 1.00 H new ATOM 0 HH22 ARG A 36 3.136 -1.110 17.042 1.00 1.00 H new ATOM 609 N VAL A 37 1.869 1.958 9.671 1.00 1.00 N ATOM 610 CA VAL A 37 1.785 0.912 8.620 1.00 1.00 C ATOM 611 C VAL A 37 3.003 -0.010 8.620 1.00 1.00 C ATOM 612 O VAL A 37 4.131 0.387 8.867 1.00 1.00 O ATOM 613 CB VAL A 37 1.688 1.542 7.224 1.00 1.00 C ATOM 614 CG1 VAL A 37 0.256 1.446 6.754 1.00 1.00 C ATOM 615 CG2 VAL A 37 2.118 3.011 7.239 1.00 1.00 C ATOM 0 H VAL A 37 2.678 2.575 9.601 1.00 1.00 H new ATOM 0 HA VAL A 37 0.890 0.333 8.849 1.00 1.00 H new ATOM 0 HB VAL A 37 2.356 1.005 6.551 1.00 1.00 H new ATOM 0 HG11 VAL A 37 0.168 1.889 5.762 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -0.043 0.399 6.711 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -0.392 1.980 7.449 1.00 1.00 H new ATOM 0 HG21 VAL A 37 2.036 3.424 6.234 1.00 1.00 H new ATOM 0 HG22 VAL A 37 1.473 3.572 7.915 1.00 1.00 H new ATOM 0 HG23 VAL A 37 3.151 3.084 7.579 1.00 1.00 H new ATOM 625 N ARG A 38 2.748 -1.228 8.244 1.00 1.00 N ATOM 626 CA ARG A 38 3.820 -2.262 8.088 1.00 1.00 C ATOM 627 C ARG A 38 3.724 -2.683 6.629 1.00 1.00 C ATOM 628 O ARG A 38 2.627 -2.826 6.113 1.00 1.00 O ATOM 629 CB ARG A 38 3.581 -3.470 9.005 1.00 1.00 C ATOM 630 CG ARG A 38 2.078 -3.699 9.221 1.00 1.00 C ATOM 631 CD ARG A 38 1.619 -2.970 10.487 1.00 1.00 C ATOM 632 NE ARG A 38 2.112 -3.701 11.689 1.00 1.00 N ATOM 633 CZ ARG A 38 1.338 -4.563 12.295 1.00 1.00 C ATOM 634 NH1 ARG A 38 1.346 -5.819 11.928 1.00 1.00 N ATOM 635 NH2 ARG A 38 0.559 -4.169 13.267 1.00 1.00 N ATOM 0 H ARG A 38 1.810 -1.567 8.030 1.00 1.00 H new ATOM 0 HA ARG A 38 4.801 -1.871 8.358 1.00 1.00 H new ATOM 0 HB2 ARG A 38 4.030 -4.361 8.566 1.00 1.00 H new ATOM 0 HB3 ARG A 38 4.071 -3.307 9.965 1.00 1.00 H new ATOM 0 HG2 ARG A 38 1.518 -3.337 8.359 1.00 1.00 H new ATOM 0 HG3 ARG A 38 1.872 -4.766 9.310 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.999 -1.948 10.489 1.00 1.00 H new ATOM 0 HD3 ARG A 38 0.531 -2.906 10.508 1.00 1.00 H new ATOM 0 HE ARG A 38 3.054 -3.528 12.039 1.00 1.00 H new ATOM 0 HH11 ARG A 38 1.956 -6.125 11.170 1.00 1.00 H new ATOM 0 HH12 ARG A 38 0.742 -6.492 12.400 1.00 1.00 H new ATOM 0 HH21 ARG A 38 0.555 -3.190 13.552 1.00 1.00 H new ATOM 0 HH22 ARG A 38 -0.045 -4.841 13.740 1.00 1.00 H new ATOM 649 N CYS A 39 4.815 -2.805 5.921 1.00 1.00 N ATOM 650 CA CYS A 39 4.666 -3.112 4.473 1.00 1.00 C ATOM 651 C CYS A 39 5.684 -4.110 3.931 1.00 1.00 C ATOM 652 O CYS A 39 6.774 -4.294 4.450 1.00 1.00 O ATOM 653 CB CYS A 39 4.835 -1.802 3.694 1.00 1.00 C ATOM 654 SG CYS A 39 4.277 -0.399 4.695 1.00 1.00 S ATOM 0 H CYS A 39 5.769 -2.709 6.268 1.00 1.00 H new ATOM 0 HA CYS A 39 3.683 -3.567 4.350 1.00 1.00 H new ATOM 0 HB2 CYS A 39 5.881 -1.667 3.418 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.264 -1.846 2.767 1.00 1.00 H new ATOM 0 HG CYS A 39 5.108 -0.209 5.677 1.00 1.00 H new ATOM 660 N LEU A 40 5.322 -4.678 2.809 1.00 1.00 N ATOM 661 CA LEU A 40 6.183 -5.597 2.077 1.00 1.00 C ATOM 662 C LEU A 40 6.927 -4.747 1.054 1.00 1.00 C ATOM 663 O LEU A 40 6.778 -3.510 1.014 1.00 1.00 O ATOM 664 CB LEU A 40 5.329 -6.640 1.372 1.00 1.00 C ATOM 665 CG LEU A 40 5.997 -8.013 1.425 1.00 1.00 C ATOM 666 CD1 LEU A 40 6.446 -8.333 2.855 1.00 1.00 C ATOM 667 CD2 LEU A 40 4.983 -9.054 0.967 1.00 1.00 C ATOM 0 H LEU A 40 4.416 -4.520 2.367 1.00 1.00 H new ATOM 0 HA LEU A 40 6.875 -6.121 2.736 1.00 1.00 H new ATOM 0 HB2 LEU A 40 4.347 -6.690 1.841 1.00 1.00 H new ATOM 0 HB3 LEU A 40 5.172 -6.347 0.334 1.00 1.00 H new ATOM 0 HG LEU A 40 6.874 -8.020 0.778 1.00 1.00 H new ATOM 0 HD11 LEU A 40 6.920 -9.314 2.877 1.00 1.00 H new ATOM 0 HD12 LEU A 40 7.158 -7.579 3.190 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.580 -8.334 3.517 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.439 -10.044 0.997 1.00 1.00 H new ATOM 0 HD22 LEU A 40 4.117 -9.033 1.628 1.00 1.00 H new ATOM 0 HD23 LEU A 40 4.667 -8.831 -0.052 1.00 1.00 H new ATOM 679 N ASP A 41 7.770 -5.384 0.290 1.00 1.00 N ATOM 680 CA ASP A 41 8.669 -4.652 -0.629 1.00 1.00 C ATOM 681 C ASP A 41 9.757 -4.057 0.303 1.00 1.00 C ATOM 682 O ASP A 41 10.462 -3.124 -0.033 1.00 1.00 O ATOM 683 CB ASP A 41 7.908 -3.540 -1.377 1.00 1.00 C ATOM 684 CG ASP A 41 8.690 -3.114 -2.624 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.685 -3.861 -3.590 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.279 -2.045 -2.593 1.00 1.00 O ATOM 0 H ASP A 41 7.871 -6.399 0.267 1.00 1.00 H new ATOM 0 HA ASP A 41 9.090 -5.294 -1.403 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.918 -3.895 -1.663 1.00 1.00 H new ATOM 0 HB3 ASP A 41 7.762 -2.683 -0.720 1.00 1.00 H new ATOM 691 N GLY A 42 9.908 -4.691 1.477 1.00 1.00 N ATOM 692 CA GLY A 42 10.951 -4.315 2.487 1.00 1.00 C ATOM 693 C GLY A 42 10.736 -2.935 3.120 1.00 1.00 C ATOM 694 O GLY A 42 11.640 -2.119 3.083 1.00 1.00 O ATOM 0 H GLY A 42 9.323 -5.475 1.766 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.966 -5.067 3.276 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.930 -4.335 2.008 1.00 1.00 H new ATOM 698 N LYS A 43 9.594 -2.645 3.729 1.00 1.00 N ATOM 699 CA LYS A 43 9.466 -1.293 4.361 1.00 1.00 C ATOM 700 C LYS A 43 8.625 -1.297 5.639 1.00 1.00 C ATOM 701 O LYS A 43 7.717 -2.087 5.820 1.00 1.00 O ATOM 702 CB LYS A 43 8.856 -0.304 3.378 1.00 1.00 C ATOM 703 CG LYS A 43 9.964 0.563 2.771 1.00 1.00 C ATOM 704 CD LYS A 43 10.765 1.267 3.874 1.00 1.00 C ATOM 705 CE LYS A 43 12.265 1.098 3.614 1.00 1.00 C ATOM 706 NZ LYS A 43 12.829 0.100 4.567 1.00 1.00 N ATOM 0 H LYS A 43 8.785 -3.260 3.810 1.00 1.00 H new ATOM 0 HA LYS A 43 10.478 -0.994 4.633 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.325 -0.839 2.590 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.124 0.325 3.885 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.630 -0.056 2.170 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.527 1.304 2.102 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.509 2.326 3.903 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.506 0.850 4.847 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.432 0.770 2.588 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.774 2.055 3.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.863 0.203 4.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.429 0.260 5.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.589 -0.860 4.247 1.00 1.00 H new ATOM 720 N THR A 44 8.900 -0.334 6.477 1.00 1.00 N ATOM 721 CA THR A 44 8.120 -0.118 7.740 1.00 1.00 C ATOM 722 C THR A 44 8.011 1.398 7.884 1.00 1.00 C ATOM 723 O THR A 44 9.018 2.098 7.935 1.00 1.00 O ATOM 724 CB THR A 44 8.820 -0.720 8.966 1.00 1.00 C ATOM 725 OG1 THR A 44 9.810 -1.659 8.562 1.00 1.00 O ATOM 726 CG2 THR A 44 7.771 -1.415 9.835 1.00 1.00 C ATOM 0 H THR A 44 9.657 0.335 6.337 1.00 1.00 H new ATOM 0 HA THR A 44 7.148 -0.609 7.685 1.00 1.00 H new ATOM 0 HB THR A 44 9.310 0.073 9.531 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.249 -2.033 9.354 1.00 1.00 H new ATOM 0 HG21 THR A 44 8.253 -1.848 10.711 1.00 1.00 H new ATOM 0 HG22 THR A 44 7.024 -0.689 10.154 1.00 1.00 H new ATOM 0 HG23 THR A 44 7.287 -2.204 9.260 1.00 1.00 H new ATOM 734 N ARG A 45 6.816 1.929 7.862 1.00 1.00 N ATOM 735 CA ARG A 45 6.690 3.413 7.900 1.00 1.00 C ATOM 736 C ARG A 45 5.450 3.892 8.641 1.00 1.00 C ATOM 737 O ARG A 45 4.497 3.162 8.841 1.00 1.00 O ATOM 738 CB ARG A 45 6.635 3.935 6.460 1.00 1.00 C ATOM 739 CG ARG A 45 5.762 3.014 5.591 1.00 1.00 C ATOM 740 CD ARG A 45 6.642 1.995 4.855 1.00 1.00 C ATOM 741 NE ARG A 45 7.823 2.683 4.258 1.00 1.00 N ATOM 742 CZ ARG A 45 7.654 3.578 3.324 1.00 1.00 C ATOM 743 NH1 ARG A 45 7.516 3.205 2.079 1.00 1.00 N ATOM 744 NH2 ARG A 45 7.633 4.846 3.637 1.00 1.00 N ATOM 0 H ARG A 45 5.939 1.410 7.820 1.00 1.00 H new ATOM 0 HA ARG A 45 7.555 3.798 8.440 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.231 4.947 6.448 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.642 3.989 6.047 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.034 2.495 6.215 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.199 3.607 4.871 1.00 1.00 H new ATOM 0 HD2 ARG A 45 6.973 1.220 5.547 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.065 1.500 4.074 1.00 1.00 H new ATOM 0 HE ARG A 45 8.763 2.454 4.580 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.540 2.214 1.838 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.384 3.905 1.349 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.749 5.133 4.609 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.501 5.549 2.910 1.00 1.00 H new ATOM 758 N LEU A 46 5.445 5.158 8.971 1.00 1.00 N ATOM 759 CA LEU A 46 4.246 5.773 9.610 1.00 1.00 C ATOM 760 C LEU A 46 3.492 6.450 8.458 1.00 1.00 C ATOM 761 O LEU A 46 4.074 7.204 7.696 1.00 1.00 O ATOM 762 CB LEU A 46 4.660 6.807 10.672 1.00 1.00 C ATOM 763 CG LEU A 46 5.665 7.808 10.085 1.00 1.00 C ATOM 764 CD1 LEU A 46 5.222 9.234 10.419 1.00 1.00 C ATOM 765 CD2 LEU A 46 7.051 7.553 10.685 1.00 1.00 C ATOM 0 H LEU A 46 6.227 5.796 8.823 1.00 1.00 H new ATOM 0 HA LEU A 46 3.633 5.034 10.126 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.779 7.337 11.035 1.00 1.00 H new ATOM 0 HB3 LEU A 46 5.102 6.299 11.529 1.00 1.00 H new ATOM 0 HG LEU A 46 5.708 7.684 9.003 1.00 1.00 H new ATOM 0 HD11 LEU A 46 5.936 9.944 10.002 1.00 1.00 H new ATOM 0 HD12 LEU A 46 4.236 9.418 9.992 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.178 9.357 11.501 1.00 1.00 H new ATOM 0 HD21 LEU A 46 7.764 8.264 10.268 1.00 1.00 H new ATOM 0 HD22 LEU A 46 7.007 7.675 11.767 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.369 6.538 10.447 1.00 1.00 H new ATOM 777 N GLY A 47 2.238 6.140 8.264 1.00 1.00 N ATOM 778 CA GLY A 47 1.503 6.713 7.095 1.00 1.00 C ATOM 779 C GLY A 47 0.708 7.958 7.470 1.00 1.00 C ATOM 780 O GLY A 47 0.134 8.056 8.541 1.00 1.00 O ATOM 0 H GLY A 47 1.692 5.518 8.860 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.214 6.961 6.307 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.827 5.961 6.689 1.00 1.00 H new ATOM 784 N ARG A 48 0.675 8.908 6.562 1.00 1.00 N ATOM 785 CA ARG A 48 -0.074 10.173 6.796 1.00 1.00 C ATOM 786 C ARG A 48 -1.137 10.356 5.706 1.00 1.00 C ATOM 787 O ARG A 48 -0.971 9.920 4.578 1.00 1.00 O ATOM 788 CB ARG A 48 0.895 11.364 6.783 1.00 1.00 C ATOM 789 CG ARG A 48 1.613 11.445 5.430 1.00 1.00 C ATOM 790 CD ARG A 48 2.362 12.776 5.324 1.00 1.00 C ATOM 791 NE ARG A 48 1.389 13.908 5.357 1.00 1.00 N ATOM 792 CZ ARG A 48 0.660 14.178 4.306 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.118 14.983 3.382 1.00 1.00 N ATOM 794 NH2 ARG A 48 -0.528 13.644 4.180 1.00 1.00 N ATOM 0 H ARG A 48 1.144 8.853 5.658 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.563 10.123 7.769 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.349 12.289 6.970 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.625 11.257 7.585 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.311 10.614 5.327 1.00 1.00 H new ATOM 0 HG3 ARG A 48 0.891 11.357 4.618 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.072 12.871 6.146 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.938 12.807 4.399 1.00 1.00 H new ATOM 0 HE ARG A 48 1.293 14.472 6.201 1.00 1.00 H new ATOM 0 HH11 ARG A 48 2.044 15.400 3.482 1.00 1.00 H new ATOM 0 HH12 ARG A 48 0.549 15.194 2.562 1.00 1.00 H new ATOM 0 HH21 ARG A 48 -0.885 13.018 4.902 1.00 1.00 H new ATOM 0 HH22 ARG A 48 -1.097 13.854 3.360 1.00 1.00 H new ATOM 808 N ILE A 49 -2.228 10.998 6.042 1.00 1.00 N ATOM 809 CA ILE A 49 -3.322 11.223 5.049 1.00 1.00 C ATOM 810 C ILE A 49 -3.664 12.729 5.004 1.00 1.00 C ATOM 811 O ILE A 49 -3.411 13.445 5.957 1.00 1.00 O ATOM 812 CB ILE A 49 -4.544 10.376 5.470 1.00 1.00 C ATOM 813 CG1 ILE A 49 -4.864 9.360 4.366 1.00 1.00 C ATOM 814 CG2 ILE A 49 -5.774 11.258 5.719 1.00 1.00 C ATOM 815 CD1 ILE A 49 -4.643 7.941 4.896 1.00 1.00 C ATOM 0 H ILE A 49 -2.409 11.379 6.971 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.013 10.919 4.049 1.00 1.00 H new ATOM 0 HB ILE A 49 -4.298 9.860 6.398 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -5.896 9.479 4.036 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -4.229 9.538 3.498 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -6.617 10.632 6.013 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -5.556 11.971 6.514 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -6.025 11.799 4.806 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -4.871 7.220 4.111 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.604 7.826 5.205 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -5.297 7.766 5.750 1.00 1.00 H new ATOM 827 N PRO A 50 -4.229 13.164 3.894 1.00 1.00 N ATOM 828 CA PRO A 50 -4.614 14.581 3.696 1.00 1.00 C ATOM 829 C PRO A 50 -5.874 14.931 4.505 1.00 1.00 C ATOM 830 O PRO A 50 -6.547 14.063 5.026 1.00 1.00 O ATOM 831 CB PRO A 50 -4.874 14.677 2.189 1.00 1.00 C ATOM 832 CG PRO A 50 -5.169 13.239 1.704 1.00 1.00 C ATOM 833 CD PRO A 50 -4.543 12.289 2.743 1.00 1.00 C ATOM 0 HA PRO A 50 -3.849 15.280 4.036 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -5.716 15.337 1.982 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -4.009 15.092 1.671 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -6.243 13.070 1.621 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -4.743 13.068 0.716 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -5.235 11.495 3.024 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -3.646 11.808 2.353 1.00 1.00 H new ATOM 841 N GLY A 51 -6.185 16.204 4.616 1.00 1.00 N ATOM 842 CA GLY A 51 -7.390 16.639 5.397 1.00 1.00 C ATOM 843 C GLY A 51 -8.661 15.982 4.843 1.00 1.00 C ATOM 844 O GLY A 51 -9.485 15.491 5.594 1.00 1.00 O ATOM 0 H GLY A 51 -5.651 16.965 4.196 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -7.265 16.373 6.447 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -7.486 17.724 5.353 1.00 1.00 H new ATOM 848 N ARG A 52 -8.826 15.975 3.539 1.00 1.00 N ATOM 849 CA ARG A 52 -10.045 15.356 2.926 1.00 1.00 C ATOM 850 C ARG A 52 -10.144 13.881 3.336 1.00 1.00 C ATOM 851 O ARG A 52 -11.147 13.448 3.875 1.00 1.00 O ATOM 852 CB ARG A 52 -9.955 15.455 1.398 1.00 1.00 C ATOM 853 CG ARG A 52 -10.661 16.728 0.923 1.00 1.00 C ATOM 854 CD ARG A 52 -12.137 16.424 0.651 1.00 1.00 C ATOM 855 NE ARG A 52 -12.345 16.243 -0.815 1.00 1.00 N ATOM 856 CZ ARG A 52 -12.907 15.153 -1.267 1.00 1.00 C ATOM 857 NH1 ARG A 52 -12.210 14.051 -1.367 1.00 1.00 N ATOM 858 NH2 ARG A 52 -14.167 15.168 -1.619 1.00 1.00 N ATOM 0 H ARG A 52 -8.165 16.373 2.872 1.00 1.00 H new ATOM 0 HA ARG A 52 -10.930 15.886 3.277 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -8.911 15.468 1.085 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -10.414 14.580 0.939 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -10.573 17.509 1.679 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -10.184 17.105 0.018 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -12.438 15.523 1.186 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -12.761 17.238 1.020 1.00 1.00 H new ATOM 0 HE ARG A 52 -12.048 16.971 -1.465 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -11.228 14.042 -1.092 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -12.649 13.200 -1.720 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -14.708 16.029 -1.540 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -14.608 14.319 -1.972 1.00 1.00 H new ATOM 872 N LEU A 53 -9.109 13.113 3.084 1.00 1.00 N ATOM 873 CA LEU A 53 -9.124 11.663 3.453 1.00 1.00 C ATOM 874 C LEU A 53 -9.175 11.497 4.979 1.00 1.00 C ATOM 875 O LEU A 53 -9.766 10.563 5.477 1.00 1.00 O ATOM 876 CB LEU A 53 -7.863 10.984 2.910 1.00 1.00 C ATOM 877 CG LEU A 53 -8.208 10.191 1.646 1.00 1.00 C ATOM 878 CD1 LEU A 53 -8.265 11.138 0.444 1.00 1.00 C ATOM 879 CD2 LEU A 53 -7.135 9.127 1.405 1.00 1.00 C ATOM 0 H LEU A 53 -8.250 13.432 2.636 1.00 1.00 H new ATOM 0 HA LEU A 53 -10.010 11.200 3.018 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.103 11.733 2.685 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -7.442 10.319 3.665 1.00 1.00 H new ATOM 0 HG LEU A 53 -9.178 9.710 1.774 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -8.511 10.571 -0.454 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -9.029 11.897 0.615 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -7.296 11.621 0.315 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.379 8.561 0.506 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -6.166 9.610 1.278 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -7.095 8.451 2.259 1.00 1.00 H new ATOM 891 N LYS A 54 -8.549 12.386 5.719 1.00 1.00 N ATOM 892 CA LYS A 54 -8.542 12.278 7.217 1.00 1.00 C ATOM 893 C LYS A 54 -9.973 12.129 7.760 1.00 1.00 C ATOM 894 O LYS A 54 -10.242 11.263 8.573 1.00 1.00 O ATOM 895 CB LYS A 54 -7.900 13.534 7.817 1.00 1.00 C ATOM 896 CG LYS A 54 -7.340 13.213 9.206 1.00 1.00 C ATOM 897 CD LYS A 54 -8.144 13.965 10.269 1.00 1.00 C ATOM 898 CE LYS A 54 -8.039 13.227 11.607 1.00 1.00 C ATOM 899 NZ LYS A 54 -9.151 13.657 12.503 1.00 1.00 N ATOM 0 H LYS A 54 -8.039 13.187 5.347 1.00 1.00 H new ATOM 0 HA LYS A 54 -7.968 11.395 7.498 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -7.102 13.893 7.167 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -8.638 14.333 7.887 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -7.389 12.140 9.390 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -6.289 13.498 9.261 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -7.767 14.983 10.372 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -9.188 14.041 9.964 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -8.085 12.150 11.445 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -7.078 13.438 12.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -9.079 13.155 13.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -9.088 14.682 12.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -10.063 13.434 12.056 1.00 1.00 H new ATOM 913 N ASN A 55 -10.886 12.964 7.319 1.00 1.00 N ATOM 914 CA ASN A 55 -12.300 12.875 7.812 1.00 1.00 C ATOM 915 C ASN A 55 -13.123 11.913 6.933 1.00 1.00 C ATOM 916 O ASN A 55 -14.316 11.761 7.130 1.00 1.00 O ATOM 917 CB ASN A 55 -12.934 14.270 7.771 1.00 1.00 C ATOM 918 CG ASN A 55 -13.509 14.613 9.149 1.00 1.00 C ATOM 919 OD1 ASN A 55 -12.917 15.365 9.896 1.00 1.00 O ATOM 920 ND2 ASN A 55 -14.648 14.090 9.518 1.00 1.00 N ATOM 0 H ASN A 55 -10.713 13.704 6.638 1.00 1.00 H new ATOM 0 HA ASN A 55 -12.294 12.494 8.833 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -12.189 15.011 7.482 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -13.722 14.300 7.019 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -15.039 14.314 10.433 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -15.146 13.458 8.891 1.00 1.00 H new ATOM 927 N ARG A 56 -12.504 11.271 5.968 1.00 1.00 N ATOM 928 CA ARG A 56 -13.249 10.329 5.075 1.00 1.00 C ATOM 929 C ARG A 56 -12.730 8.888 5.243 1.00 1.00 C ATOM 930 O ARG A 56 -13.379 7.946 4.822 1.00 1.00 O ATOM 931 CB ARG A 56 -13.056 10.771 3.621 1.00 1.00 C ATOM 932 CG ARG A 56 -14.271 10.356 2.787 1.00 1.00 C ATOM 933 CD ARG A 56 -13.885 10.320 1.306 1.00 1.00 C ATOM 934 NE ARG A 56 -13.770 11.713 0.785 1.00 1.00 N ATOM 935 CZ ARG A 56 -14.724 12.216 0.047 1.00 1.00 C ATOM 936 NH1 ARG A 56 -14.870 11.820 -1.191 1.00 1.00 N ATOM 937 NH2 ARG A 56 -15.530 13.117 0.547 1.00 1.00 N ATOM 0 H ARG A 56 -11.509 11.361 5.761 1.00 1.00 H new ATOM 0 HA ARG A 56 -14.305 10.348 5.343 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.924 11.852 3.574 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.152 10.321 3.212 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -14.626 9.376 3.105 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -15.090 11.058 2.943 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -12.939 9.794 1.179 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.634 9.769 0.738 1.00 1.00 H new ATOM 0 HE ARG A 56 -12.946 12.273 1.005 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -14.239 11.119 -1.580 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -15.614 12.212 -1.767 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -15.413 13.426 1.512 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -16.275 13.510 -0.028 1.00 1.00 H new ATOM 951 N ILE A 57 -11.569 8.704 5.838 1.00 1.00 N ATOM 952 CA ILE A 57 -11.018 7.321 6.009 1.00 1.00 C ATOM 953 C ILE A 57 -11.664 6.633 7.220 1.00 1.00 C ATOM 954 O ILE A 57 -12.177 5.535 7.100 1.00 1.00 O ATOM 955 CB ILE A 57 -9.484 7.361 6.177 1.00 1.00 C ATOM 956 CG1 ILE A 57 -9.069 8.403 7.229 1.00 1.00 C ATOM 957 CG2 ILE A 57 -8.836 7.721 4.837 1.00 1.00 C ATOM 958 CD1 ILE A 57 -8.436 7.699 8.431 1.00 1.00 C ATOM 0 H ILE A 57 -10.983 9.451 6.210 1.00 1.00 H new ATOM 0 HA ILE A 57 -11.253 6.748 5.112 1.00 1.00 H new ATOM 0 HB ILE A 57 -9.151 6.378 6.509 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -8.362 9.110 6.795 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -9.938 8.978 7.548 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -7.753 7.750 4.953 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -9.101 6.971 4.092 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -9.192 8.698 4.511 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -8.143 8.441 9.174 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -9.157 7.010 8.870 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -7.556 7.144 8.106 1.00 1.00 H new ATOM 970 N TRP A 58 -11.648 7.269 8.376 1.00 1.00 N ATOM 971 CA TRP A 58 -12.258 6.666 9.605 1.00 1.00 C ATOM 972 C TRP A 58 -11.871 5.181 9.715 1.00 1.00 C ATOM 973 O TRP A 58 -12.717 4.310 9.836 1.00 1.00 O ATOM 974 CB TRP A 58 -13.780 6.820 9.536 1.00 1.00 C ATOM 975 CG TRP A 58 -14.156 8.214 9.924 1.00 1.00 C ATOM 976 CD1 TRP A 58 -14.046 9.300 9.125 1.00 1.00 C ATOM 977 CD2 TRP A 58 -14.695 8.692 11.191 1.00 1.00 C ATOM 978 NE1 TRP A 58 -14.482 10.413 9.820 1.00 1.00 N ATOM 979 CE2 TRP A 58 -14.893 10.089 11.098 1.00 1.00 C ATOM 980 CE3 TRP A 58 -15.028 8.054 12.400 1.00 1.00 C ATOM 981 CZ2 TRP A 58 -15.404 10.828 12.166 1.00 1.00 C ATOM 982 CZ3 TRP A 58 -15.542 8.794 13.477 1.00 1.00 C ATOM 983 CH2 TRP A 58 -15.729 10.178 13.360 1.00 1.00 C ATOM 0 H TRP A 58 -11.233 8.190 8.517 1.00 1.00 H new ATOM 0 HA TRP A 58 -11.884 7.181 10.490 1.00 1.00 H new ATOM 0 HB2 TRP A 58 -14.133 6.604 8.528 1.00 1.00 H new ATOM 0 HB3 TRP A 58 -14.260 6.103 10.203 1.00 1.00 H new ATOM 0 HD1 TRP A 58 -13.678 9.298 8.110 1.00 1.00 H new ATOM 0 HE1 TRP A 58 -14.498 11.358 9.436 1.00 1.00 H new ATOM 0 HE3 TRP A 58 -14.887 6.988 12.500 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 -15.547 11.894 12.071 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 -15.795 8.294 14.400 1.00 1.00 H new ATOM 0 HH2 TRP A 58 -16.124 10.742 14.192 1.00 1.00 H new ATOM 994 N VAL A 59 -10.590 4.891 9.666 1.00 1.00 N ATOM 995 CA VAL A 59 -10.126 3.470 9.759 1.00 1.00 C ATOM 996 C VAL A 59 -10.340 2.943 11.183 1.00 1.00 C ATOM 997 O VAL A 59 -10.012 3.601 12.156 1.00 1.00 O ATOM 998 CB VAL A 59 -8.636 3.374 9.391 1.00 1.00 C ATOM 999 CG1 VAL A 59 -8.427 3.877 7.961 1.00 1.00 C ATOM 1000 CG2 VAL A 59 -7.798 4.224 10.355 1.00 1.00 C ATOM 0 H VAL A 59 -9.845 5.580 9.565 1.00 1.00 H new ATOM 0 HA VAL A 59 -10.705 2.866 9.060 1.00 1.00 H new ATOM 0 HB VAL A 59 -8.321 2.333 9.465 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -7.370 3.808 7.702 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -9.010 3.266 7.272 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -8.751 4.915 7.889 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -6.745 4.149 10.085 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -8.115 5.265 10.292 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -7.938 3.863 11.374 1.00 1.00 H new ATOM 1010 N ARG A 60 -10.887 1.757 11.306 1.00 1.00 N ATOM 1011 CA ARG A 60 -11.126 1.170 12.657 1.00 1.00 C ATOM 1012 C ARG A 60 -9.924 0.301 13.049 1.00 1.00 C ATOM 1013 O ARG A 60 -9.194 0.626 13.968 1.00 1.00 O ATOM 1014 CB ARG A 60 -12.403 0.321 12.628 1.00 1.00 C ATOM 1015 CG ARG A 60 -12.819 -0.038 14.057 1.00 1.00 C ATOM 1016 CD ARG A 60 -13.261 -1.502 14.110 1.00 1.00 C ATOM 1017 NE ARG A 60 -13.602 -1.868 15.514 1.00 1.00 N ATOM 1018 CZ ARG A 60 -12.666 -2.277 16.330 1.00 1.00 C ATOM 1019 NH1 ARG A 60 -12.341 -3.544 16.368 1.00 1.00 N ATOM 1020 NH2 ARG A 60 -12.056 -1.420 17.106 1.00 1.00 N ATOM 0 H ARG A 60 -11.178 1.170 10.524 1.00 1.00 H new ATOM 0 HA ARG A 60 -11.248 1.967 13.391 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -13.204 0.870 12.133 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.234 -0.587 12.050 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -11.986 0.126 14.741 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -13.632 0.610 14.384 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.125 -1.656 13.463 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -12.465 -2.147 13.738 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.567 -1.799 15.839 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -12.818 -4.211 15.761 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -11.611 -3.864 17.004 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -12.310 -0.433 17.075 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -11.326 -1.739 17.743 1.00 1.00 H new ATOM 1034 N GLU A 61 -9.711 -0.797 12.355 1.00 1.00 N ATOM 1035 CA GLU A 61 -8.556 -1.690 12.681 1.00 1.00 C ATOM 1036 C GLU A 61 -8.458 -2.816 11.642 1.00 1.00 C ATOM 1037 O GLU A 61 -9.320 -3.675 11.564 1.00 1.00 O ATOM 1038 CB GLU A 61 -8.758 -2.302 14.074 1.00 1.00 C ATOM 1039 CG GLU A 61 -7.398 -2.527 14.745 1.00 1.00 C ATOM 1040 CD GLU A 61 -6.813 -1.187 15.206 1.00 1.00 C ATOM 1041 OE1 GLU A 61 -7.395 -0.577 16.087 1.00 1.00 O ATOM 1042 OE2 GLU A 61 -5.789 -0.796 14.672 1.00 1.00 O ATOM 0 H GLU A 61 -10.291 -1.110 11.576 1.00 1.00 H new ATOM 0 HA GLU A 61 -7.637 -1.104 12.667 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -9.371 -1.641 14.686 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -9.294 -3.248 13.992 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.510 -3.197 15.598 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -6.715 -3.011 14.047 1.00 1.00 H new ATOM 1049 N GLY A 62 -7.406 -2.825 10.855 1.00 1.00 N ATOM 1050 CA GLY A 62 -7.233 -3.902 9.831 1.00 1.00 C ATOM 1051 C GLY A 62 -7.669 -3.408 8.446 1.00 1.00 C ATOM 1052 O GLY A 62 -8.631 -3.899 7.884 1.00 1.00 O ATOM 0 H GLY A 62 -6.659 -2.130 10.879 1.00 1.00 H new ATOM 0 HA2 GLY A 62 -6.190 -4.216 9.799 1.00 1.00 H new ATOM 0 HA3 GLY A 62 -7.820 -4.776 10.112 1.00 1.00 H new ATOM 1056 N ASP A 63 -6.956 -2.457 7.887 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.308 -1.940 6.521 1.00 1.00 C ATOM 1058 C ASP A 63 -6.069 -2.038 5.623 1.00 1.00 C ATOM 1059 O ASP A 63 -4.956 -2.122 6.118 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.754 -0.477 6.623 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.185 -0.405 7.169 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.107 -0.530 6.379 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.333 -0.221 8.367 1.00 1.00 O ATOM 0 H ASP A 63 -6.144 -2.015 8.318 1.00 1.00 H new ATOM 0 HA ASP A 63 -8.121 -2.531 6.099 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.078 0.074 7.277 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.705 -0.004 5.642 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.225 -2.015 4.318 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.013 -2.096 3.431 1.00 1.00 C ATOM 1070 C VAL A 64 -4.734 -0.720 2.831 1.00 1.00 C ATOM 1071 O VAL A 64 -5.646 0.024 2.513 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.196 -3.123 2.307 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -3.986 -4.058 2.303 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.466 -3.945 2.529 1.00 1.00 C ATOM 0 H VAL A 64 -7.120 -1.945 3.834 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.169 -2.420 4.040 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.283 -2.601 1.354 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.099 -4.796 1.509 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.079 -3.478 2.133 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.916 -4.567 3.264 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.578 -4.668 1.721 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.396 -4.472 3.480 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.331 -3.282 2.544 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.476 -0.369 2.691 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.137 0.977 2.133 1.00 1.00 C ATOM 1086 C VAL A 65 -1.900 0.913 1.226 1.00 1.00 C ATOM 1087 O VAL A 65 -1.032 0.069 1.382 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.857 1.956 3.289 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.097 2.086 4.177 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.688 1.445 4.136 1.00 1.00 C ATOM 0 H VAL A 65 -2.676 -0.952 2.937 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.985 1.318 1.539 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.606 2.929 2.868 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.890 2.780 4.992 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.931 2.461 3.584 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.354 1.110 4.588 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.497 2.143 4.951 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.937 0.467 4.547 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.797 1.361 3.514 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.796 1.848 0.314 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.592 1.913 -0.576 1.00 1.00 C ATOM 1102 C ILE A 66 0.317 2.998 0.014 1.00 1.00 C ATOM 1103 O ILE A 66 -0.163 4.042 0.418 1.00 1.00 O ATOM 1104 CB ILE A 66 -1.019 2.255 -2.016 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.207 2.211 -2.947 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.678 3.640 -2.068 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.976 3.537 -2.896 1.00 1.00 C ATOM 0 H ILE A 66 -2.495 2.572 0.146 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.067 0.959 -0.623 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.748 1.517 -2.351 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.864 1.393 -2.652 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -0.114 2.010 -3.969 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.973 3.864 -3.093 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -2.559 3.648 -1.427 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.970 4.393 -1.721 1.00 1.00 H new ATOM 0 HD11 ILE A 66 1.838 3.484 -3.561 1.00 1.00 H new ATOM 0 HD12 ILE A 66 0.322 4.349 -3.214 1.00 1.00 H new ATOM 0 HD13 ILE A 66 1.315 3.722 -1.877 1.00 1.00 H new ATOM 1119 N VAL A 67 1.606 2.758 0.135 1.00 1.00 N ATOM 1120 CA VAL A 67 2.469 3.797 0.784 1.00 1.00 C ATOM 1121 C VAL A 67 3.577 4.345 -0.133 1.00 1.00 C ATOM 1122 O VAL A 67 4.089 3.686 -1.029 1.00 1.00 O ATOM 1123 CB VAL A 67 3.109 3.224 2.062 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.152 2.234 2.733 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.420 2.510 1.719 1.00 1.00 C ATOM 0 H VAL A 67 2.084 1.913 -0.178 1.00 1.00 H new ATOM 0 HA VAL A 67 1.810 4.633 1.018 1.00 1.00 H new ATOM 0 HB VAL A 67 3.314 4.047 2.747 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.615 1.835 3.636 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.226 2.745 2.996 1.00 1.00 H new ATOM 0 HG13 VAL A 67 1.933 1.417 2.046 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.865 2.108 2.630 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.219 1.695 1.023 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.110 3.218 1.260 1.00 1.00 H new ATOM 1135 N LYS A 68 3.957 5.562 0.172 1.00 1.00 N ATOM 1136 CA LYS A 68 5.047 6.290 -0.538 1.00 1.00 C ATOM 1137 C LYS A 68 6.235 6.352 0.427 1.00 1.00 C ATOM 1138 O LYS A 68 6.008 6.424 1.620 1.00 1.00 O ATOM 1139 CB LYS A 68 4.565 7.710 -0.870 1.00 1.00 C ATOM 1140 CG LYS A 68 5.054 8.118 -2.261 1.00 1.00 C ATOM 1141 CD LYS A 68 4.400 9.444 -2.663 1.00 1.00 C ATOM 1142 CE LYS A 68 5.403 10.588 -2.487 1.00 1.00 C ATOM 1143 NZ LYS A 68 6.349 10.612 -3.641 1.00 1.00 N ATOM 0 H LYS A 68 3.530 6.103 0.924 1.00 1.00 H new ATOM 0 HA LYS A 68 5.328 5.793 -1.466 1.00 1.00 H new ATOM 0 HB2 LYS A 68 3.476 7.751 -0.832 1.00 1.00 H new ATOM 0 HB3 LYS A 68 4.937 8.413 -0.124 1.00 1.00 H new ATOM 0 HG2 LYS A 68 6.139 8.221 -2.261 1.00 1.00 H new ATOM 0 HG3 LYS A 68 4.807 7.343 -2.987 1.00 1.00 H new ATOM 0 HD2 LYS A 68 4.066 9.396 -3.699 1.00 1.00 H new ATOM 0 HD3 LYS A 68 3.516 9.625 -2.051 1.00 1.00 H new ATOM 0 HE2 LYS A 68 4.875 11.539 -2.418 1.00 1.00 H new ATOM 0 HE3 LYS A 68 5.954 10.461 -1.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 7.028 11.390 -3.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 6.862 9.709 -3.688 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 5.817 10.754 -4.523 1.00 1.00 H new ATOM 1157 N PRO A 69 7.448 6.312 -0.090 1.00 1.00 N ATOM 1158 CA PRO A 69 8.668 6.320 0.751 1.00 1.00 C ATOM 1159 C PRO A 69 9.163 7.737 1.074 1.00 1.00 C ATOM 1160 O PRO A 69 9.166 8.627 0.241 1.00 1.00 O ATOM 1161 CB PRO A 69 9.694 5.633 -0.140 1.00 1.00 C ATOM 1162 CG PRO A 69 9.206 5.812 -1.603 1.00 1.00 C ATOM 1163 CD PRO A 69 7.719 6.210 -1.536 1.00 1.00 C ATOM 0 HA PRO A 69 8.491 5.843 1.715 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.681 6.075 -0.005 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.780 4.576 0.113 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.788 6.580 -2.113 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.333 4.888 -2.168 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.535 7.156 -2.045 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.083 5.463 -2.011 1.00 1.00 H new ATOM 1171 N TRP A 70 9.565 7.930 2.315 1.00 1.00 N ATOM 1172 CA TRP A 70 10.056 9.259 2.794 1.00 1.00 C ATOM 1173 C TRP A 70 11.473 9.080 3.338 1.00 1.00 C ATOM 1174 O TRP A 70 11.641 8.373 4.335 1.00 1.00 O ATOM 1175 CB TRP A 70 9.248 9.764 3.984 1.00 1.00 C ATOM 1176 CG TRP A 70 7.974 10.217 3.522 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.241 9.549 2.648 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.245 11.402 3.889 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.113 10.222 2.442 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.050 11.381 3.179 1.00 1.00 C ATOM 1181 CE3 TRP A 70 7.497 12.481 4.756 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.119 12.378 3.305 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 6.551 13.508 4.890 1.00 1.00 C ATOM 1184 CH2 TRP A 70 5.357 13.455 4.162 1.00 1.00 C ATOM 0 H TRP A 70 9.571 7.201 3.028 1.00 1.00 H new ATOM 0 HA TRP A 70 9.985 9.952 1.956 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.121 8.968 4.718 1.00 1.00 H new ATOM 0 HB3 TRP A 70 9.778 10.576 4.482 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.513 8.614 2.180 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.376 9.913 1.808 1.00 1.00 H new ATOM 0 HE3 TRP A 70 8.418 12.519 5.318 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.199 12.331 2.741 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 6.744 14.338 5.554 1.00 1.00 H new ATOM 0 HH2 TRP A 70 4.624 14.242 4.262 1.00 1.00 H new ATOM 1195 N GLU A 71 12.467 9.718 2.757 1.00 1.00 N ATOM 1196 CA GLU A 71 13.871 9.593 3.284 1.00 1.00 C ATOM 1197 C GLU A 71 14.223 8.106 3.530 1.00 1.00 C ATOM 1198 O GLU A 71 13.752 7.236 2.821 1.00 1.00 O ATOM 1199 CB GLU A 71 13.977 10.393 4.591 1.00 1.00 C ATOM 1200 CG GLU A 71 15.248 11.249 4.571 1.00 1.00 C ATOM 1201 CD GLU A 71 15.619 11.668 5.999 1.00 1.00 C ATOM 1202 OE1 GLU A 71 14.857 12.413 6.599 1.00 1.00 O ATOM 1203 OE2 GLU A 71 16.660 11.241 6.468 1.00 1.00 O ATOM 0 H GLU A 71 12.367 10.320 1.940 1.00 1.00 H new ATOM 0 HA GLU A 71 14.576 9.988 2.553 1.00 1.00 H new ATOM 0 HB2 GLU A 71 13.100 11.029 4.711 1.00 1.00 H new ATOM 0 HB3 GLU A 71 13.998 9.714 5.444 1.00 1.00 H new ATOM 0 HG2 GLU A 71 16.068 10.687 4.123 1.00 1.00 H new ATOM 0 HG3 GLU A 71 15.092 12.133 3.953 1.00 1.00 H new ATOM 1210 N VAL A 72 15.048 7.809 4.520 1.00 1.00 N ATOM 1211 CA VAL A 72 15.421 6.380 4.798 1.00 1.00 C ATOM 1212 C VAL A 72 15.677 6.186 6.307 1.00 1.00 C ATOM 1213 O VAL A 72 14.782 5.809 7.047 1.00 1.00 O ATOM 1214 CB VAL A 72 16.680 5.988 3.996 1.00 1.00 C ATOM 1215 CG1 VAL A 72 16.265 5.279 2.706 1.00 1.00 C ATOM 1216 CG2 VAL A 72 17.503 7.236 3.645 1.00 1.00 C ATOM 0 H VAL A 72 15.475 8.495 5.143 1.00 1.00 H new ATOM 0 HA VAL A 72 14.596 5.738 4.490 1.00 1.00 H new ATOM 0 HB VAL A 72 17.289 5.321 4.607 1.00 1.00 H new ATOM 0 HG11 VAL A 72 17.155 5.003 2.140 1.00 1.00 H new ATOM 0 HG12 VAL A 72 15.697 4.381 2.951 1.00 1.00 H new ATOM 0 HG13 VAL A 72 15.647 5.947 2.106 1.00 1.00 H new ATOM 0 HG21 VAL A 72 18.387 6.942 3.080 1.00 1.00 H new ATOM 0 HG22 VAL A 72 16.897 7.914 3.044 1.00 1.00 H new ATOM 0 HG23 VAL A 72 17.810 7.739 4.562 1.00 1.00 H new ATOM 1226 N GLN A 73 16.891 6.436 6.767 1.00 1.00 N ATOM 1227 CA GLN A 73 17.218 6.267 8.223 1.00 1.00 C ATOM 1228 C GLN A 73 16.795 4.865 8.701 1.00 1.00 C ATOM 1229 O GLN A 73 16.627 3.954 7.908 1.00 1.00 O ATOM 1230 CB GLN A 73 16.473 7.337 9.037 1.00 1.00 C ATOM 1231 CG GLN A 73 16.738 8.723 8.442 1.00 1.00 C ATOM 1232 CD GLN A 73 15.649 9.696 8.905 1.00 1.00 C ATOM 1233 OE1 GLN A 73 14.570 9.728 8.346 1.00 1.00 O ATOM 1234 NE2 GLN A 73 15.889 10.499 9.907 1.00 1.00 N ATOM 0 H GLN A 73 17.670 6.751 6.189 1.00 1.00 H new ATOM 0 HA GLN A 73 18.293 6.379 8.366 1.00 1.00 H new ATOM 0 HB2 GLN A 73 15.403 7.129 9.034 1.00 1.00 H new ATOM 0 HB3 GLN A 73 16.800 7.309 10.076 1.00 1.00 H new ATOM 0 HG2 GLN A 73 17.718 9.083 8.754 1.00 1.00 H new ATOM 0 HG3 GLN A 73 16.751 8.667 7.354 1.00 1.00 H new ATOM 0 HE21 GLN A 73 16.794 10.472 10.376 1.00 1.00 H new ATOM 0 HE22 GLN A 73 15.171 11.153 10.220 1.00 1.00 H new ATOM 1243 N GLY A 74 16.606 4.690 9.992 1.00 1.00 N ATOM 1244 CA GLY A 74 16.170 3.360 10.525 1.00 1.00 C ATOM 1245 C GLY A 74 14.635 3.329 10.615 1.00 1.00 C ATOM 1246 O GLY A 74 14.067 2.601 11.408 1.00 1.00 O ATOM 0 H GLY A 74 16.736 5.414 10.698 1.00 1.00 H new ATOM 0 HA2 GLY A 74 16.524 2.560 9.874 1.00 1.00 H new ATOM 0 HA3 GLY A 74 16.607 3.188 11.508 1.00 1.00 H new ATOM 1250 N ASP A 75 13.970 4.121 9.800 1.00 1.00 N ATOM 1251 CA ASP A 75 12.473 4.176 9.802 1.00 1.00 C ATOM 1252 C ASP A 75 12.048 5.123 8.685 1.00 1.00 C ATOM 1253 O ASP A 75 12.646 6.170 8.499 1.00 1.00 O ATOM 1254 CB ASP A 75 11.946 4.698 11.148 1.00 1.00 C ATOM 1255 CG ASP A 75 12.834 5.841 11.666 1.00 1.00 C ATOM 1256 OD1 ASP A 75 12.628 6.967 11.242 1.00 1.00 O ATOM 1257 OD2 ASP A 75 13.701 5.570 12.482 1.00 1.00 O ATOM 0 H ASP A 75 14.413 4.742 9.122 1.00 1.00 H new ATOM 0 HA ASP A 75 12.065 3.177 9.649 1.00 1.00 H new ATOM 0 HB2 ASP A 75 10.921 5.050 11.032 1.00 1.00 H new ATOM 0 HB3 ASP A 75 11.925 3.887 11.876 1.00 1.00 H new ATOM 1262 N GLN A 76 11.050 4.771 7.919 1.00 1.00 N ATOM 1263 CA GLN A 76 10.650 5.673 6.797 1.00 1.00 C ATOM 1264 C GLN A 76 9.286 6.314 7.044 1.00 1.00 C ATOM 1265 O GLN A 76 8.422 5.762 7.711 1.00 1.00 O ATOM 1266 CB GLN A 76 10.587 4.870 5.493 1.00 1.00 C ATOM 1267 CG GLN A 76 11.996 4.415 5.091 1.00 1.00 C ATOM 1268 CD GLN A 76 12.156 4.456 3.562 1.00 1.00 C ATOM 1269 OE1 GLN A 76 13.255 4.596 3.065 1.00 1.00 O ATOM 1270 NE2 GLN A 76 11.111 4.327 2.786 1.00 1.00 N ATOM 0 H GLN A 76 10.503 3.916 8.017 1.00 1.00 H new ATOM 0 HA GLN A 76 11.396 6.465 6.728 1.00 1.00 H new ATOM 0 HB2 GLN A 76 9.938 4.003 5.620 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.153 5.480 4.701 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.740 5.059 5.558 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.176 3.404 5.455 1.00 1.00 H new ATOM 0 HE21 GLN A 76 10.184 4.209 3.195 1.00 1.00 H new ATOM 0 HE22 GLN A 76 11.223 4.344 1.772 1.00 1.00 H new ATOM 1279 N LYS A 77 9.074 7.460 6.447 1.00 1.00 N ATOM 1280 CA LYS A 77 7.740 8.133 6.565 1.00 1.00 C ATOM 1281 C LYS A 77 6.991 7.774 5.300 1.00 1.00 C ATOM 1282 O LYS A 77 7.607 7.480 4.300 1.00 1.00 O ATOM 1283 CB LYS A 77 7.907 9.652 6.690 1.00 1.00 C ATOM 1284 CG LYS A 77 7.628 10.076 8.134 1.00 1.00 C ATOM 1285 CD LYS A 77 8.188 11.479 8.380 1.00 1.00 C ATOM 1286 CE LYS A 77 8.403 11.690 9.882 1.00 1.00 C ATOM 1287 NZ LYS A 77 7.244 12.430 10.460 1.00 1.00 N ATOM 0 H LYS A 77 9.763 7.959 5.884 1.00 1.00 H new ATOM 0 HA LYS A 77 7.201 7.808 7.455 1.00 1.00 H new ATOM 0 HB2 LYS A 77 8.917 9.943 6.403 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.223 10.161 6.011 1.00 1.00 H new ATOM 0 HG2 LYS A 77 6.555 10.064 8.325 1.00 1.00 H new ATOM 0 HG3 LYS A 77 8.083 9.367 8.825 1.00 1.00 H new ATOM 0 HD2 LYS A 77 9.130 11.604 7.846 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.500 12.230 7.992 1.00 1.00 H new ATOM 0 HE2 LYS A 77 8.517 10.728 10.381 1.00 1.00 H new ATOM 0 HE3 LYS A 77 9.324 12.248 10.052 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 7.215 12.281 11.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 7.346 13.445 10.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.362 12.080 10.035 1.00 1.00 H new ATOM 1301 N CYS A 78 5.702 7.724 5.301 1.00 1.00 N ATOM 1302 CA CYS A 78 5.027 7.326 4.039 1.00 1.00 C ATOM 1303 C CYS A 78 3.727 8.082 3.836 1.00 1.00 C ATOM 1304 O CYS A 78 3.039 8.432 4.779 1.00 1.00 O ATOM 1305 CB CYS A 78 4.752 5.818 4.050 1.00 1.00 C ATOM 1306 SG CYS A 78 3.437 5.429 5.226 1.00 1.00 S ATOM 0 H CYS A 78 5.094 7.933 6.093 1.00 1.00 H new ATOM 0 HA CYS A 78 5.692 7.575 3.212 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.466 5.486 3.052 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.660 5.278 4.318 1.00 1.00 H new ATOM 0 HG CYS A 78 3.954 4.905 6.297 1.00 1.00 H new ATOM 1312 N ASP A 79 3.356 8.266 2.599 1.00 1.00 N ATOM 1313 CA ASP A 79 2.045 8.927 2.312 1.00 1.00 C ATOM 1314 C ASP A 79 1.110 7.782 1.951 1.00 1.00 C ATOM 1315 O ASP A 79 1.395 7.022 1.039 1.00 1.00 O ATOM 1316 CB ASP A 79 2.176 9.911 1.144 1.00 1.00 C ATOM 1317 CG ASP A 79 1.248 11.107 1.380 1.00 1.00 C ATOM 1318 OD1 ASP A 79 0.085 11.009 1.023 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.716 12.099 1.916 1.00 1.00 O ATOM 0 H ASP A 79 3.896 7.991 1.779 1.00 1.00 H new ATOM 0 HA ASP A 79 1.680 9.507 3.160 1.00 1.00 H new ATOM 0 HB2 ASP A 79 3.208 10.250 1.053 1.00 1.00 H new ATOM 0 HB3 ASP A 79 1.919 9.417 0.207 1.00 1.00 H new ATOM 1324 N ILE A 80 0.061 7.575 2.695 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.790 6.378 2.408 1.00 1.00 C ATOM 1326 C ILE A 80 -2.186 6.701 1.904 1.00 1.00 C ATOM 1327 O ILE A 80 -2.774 7.727 2.196 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.929 5.528 3.673 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.159 6.430 4.894 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.342 4.706 3.867 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -2.009 5.688 5.926 1.00 1.00 C ATOM 0 H ILE A 80 -0.243 8.163 3.471 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.276 5.845 1.608 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.784 4.860 3.567 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.203 6.716 5.333 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -1.658 7.350 4.590 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.248 4.098 4.767 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.490 4.056 3.004 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.196 5.375 3.968 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -2.172 6.329 6.792 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -2.970 5.424 5.484 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -1.492 4.781 6.238 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.719 5.744 1.190 1.00 1.00 N ATOM 1344 CA ILE A 81 -4.104 5.823 0.662 1.00 1.00 C ATOM 1345 C ILE A 81 -4.865 4.677 1.342 1.00 1.00 C ATOM 1346 O ILE A 81 -4.394 3.549 1.365 1.00 1.00 O ATOM 1347 CB ILE A 81 -4.083 5.666 -0.872 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -4.414 7.013 -1.522 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -5.107 4.622 -1.328 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -3.156 7.885 -1.566 1.00 1.00 C ATOM 0 H ILE A 81 -2.229 4.883 0.946 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.582 6.780 0.870 1.00 1.00 H new ATOM 0 HB ILE A 81 -3.089 5.335 -1.174 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -4.796 6.857 -2.531 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -5.199 7.517 -0.958 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -5.073 4.529 -2.414 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -4.872 3.659 -0.874 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -6.105 4.934 -1.021 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -3.393 8.843 -2.029 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -2.793 8.052 -0.552 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -2.385 7.382 -2.149 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.998 4.961 1.938 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.747 3.897 2.676 1.00 1.00 C ATOM 1364 C TRP A 82 -7.860 3.292 1.811 1.00 1.00 C ATOM 1365 O TRP A 82 -8.534 3.974 1.058 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.332 4.513 3.962 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.627 3.854 4.335 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.745 2.734 5.085 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.983 4.258 3.985 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.088 2.428 5.220 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.890 3.337 4.559 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -10.507 5.324 3.233 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -12.269 3.469 4.394 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.894 5.460 3.064 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.773 4.535 3.643 1.00 1.00 C ATOM 0 H TRP A 82 -6.435 5.882 1.945 1.00 1.00 H new ATOM 0 HA TRP A 82 -6.063 3.086 2.928 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.617 4.406 4.778 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -7.492 5.581 3.817 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.926 2.171 5.509 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.442 1.628 5.744 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.838 6.043 2.783 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.942 2.753 4.843 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -12.286 6.283 2.484 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.839 4.646 3.509 1.00 1.00 H new ATOM 1386 N ARG A 83 -8.046 1.998 1.945 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.102 1.274 1.179 1.00 1.00 C ATOM 1388 C ARG A 83 -9.272 -0.132 1.776 1.00 1.00 C ATOM 1389 O ARG A 83 -8.311 -0.762 2.197 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.693 1.165 -0.294 1.00 1.00 C ATOM 1391 CG ARG A 83 -9.759 1.833 -1.167 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.855 0.820 -1.506 1.00 1.00 C ATOM 1393 NE ARG A 83 -12.181 1.368 -1.104 1.00 1.00 N ATOM 1394 CZ ARG A 83 -13.017 1.787 -2.016 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -13.715 0.925 -2.709 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -13.152 3.069 -2.237 1.00 1.00 N ATOM 0 H ARG A 83 -7.496 1.405 2.567 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.043 1.820 1.244 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.726 1.643 -0.451 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.580 0.118 -0.575 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.189 2.687 -0.644 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -9.307 2.214 -2.082 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -10.848 0.604 -2.574 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.667 -0.121 -0.990 1.00 1.00 H new ATOM 0 HE ARG A 83 -12.436 1.416 -0.117 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -13.607 -0.075 -2.537 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -14.368 1.252 -3.421 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -12.605 3.740 -1.698 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.804 3.398 -2.949 1.00 1.00 H new ATOM 1410 N TYR A 84 -10.487 -0.624 1.826 1.00 1.00 N ATOM 1411 CA TYR A 84 -10.728 -1.979 2.404 1.00 1.00 C ATOM 1412 C TYR A 84 -11.016 -2.983 1.278 1.00 1.00 C ATOM 1413 O TYR A 84 -12.153 -3.177 0.884 1.00 1.00 O ATOM 1414 CB TYR A 84 -11.916 -1.916 3.371 1.00 1.00 C ATOM 1415 CG TYR A 84 -12.020 -3.216 4.134 1.00 1.00 C ATOM 1416 CD1 TYR A 84 -11.119 -3.497 5.168 1.00 1.00 C ATOM 1417 CD2 TYR A 84 -13.019 -4.140 3.806 1.00 1.00 C ATOM 1418 CE1 TYR A 84 -11.217 -4.702 5.873 1.00 1.00 C ATOM 1419 CE2 TYR A 84 -13.117 -5.345 4.510 1.00 1.00 C ATOM 1420 CZ TYR A 84 -12.216 -5.627 5.544 1.00 1.00 C ATOM 1421 OH TYR A 84 -12.312 -6.816 6.239 1.00 1.00 O ATOM 0 H TYR A 84 -11.322 -0.143 1.490 1.00 1.00 H new ATOM 0 HA TYR A 84 -9.841 -2.306 2.946 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -11.789 -1.085 4.065 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -12.838 -1.732 2.819 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -10.348 -2.784 5.422 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -13.715 -3.923 3.009 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -10.522 -4.919 6.671 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -13.888 -6.058 4.256 1.00 1.00 H new ATOM 0 HH TYR A 84 -13.059 -7.342 5.885 1.00 1.00 H new ATOM 1431 N THR A 85 -9.984 -3.631 0.776 1.00 1.00 N ATOM 1432 CA THR A 85 -10.147 -4.646 -0.315 1.00 1.00 C ATOM 1433 C THR A 85 -10.780 -4.004 -1.561 1.00 1.00 C ATOM 1434 O THR A 85 -11.970 -3.739 -1.604 1.00 1.00 O ATOM 1435 CB THR A 85 -11.026 -5.807 0.180 1.00 1.00 C ATOM 1436 OG1 THR A 85 -10.642 -6.172 1.502 1.00 1.00 O ATOM 1437 CG2 THR A 85 -10.846 -7.006 -0.749 1.00 1.00 C ATOM 0 H THR A 85 -9.021 -3.494 1.084 1.00 1.00 H new ATOM 0 HA THR A 85 -9.163 -5.028 -0.585 1.00 1.00 H new ATOM 0 HB THR A 85 -12.070 -5.495 0.182 1.00 1.00 H new ATOM 0 HG1 THR A 85 -11.205 -6.911 1.814 1.00 1.00 H new ATOM 0 HG21 THR A 85 -11.467 -7.832 -0.402 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.142 -6.730 -1.761 1.00 1.00 H new ATOM 0 HG23 THR A 85 -9.800 -7.313 -0.748 1.00 1.00 H new ATOM 1445 N LYS A 86 -9.989 -3.765 -2.581 1.00 1.00 N ATOM 1446 CA LYS A 86 -10.534 -3.152 -3.834 1.00 1.00 C ATOM 1447 C LYS A 86 -9.917 -3.838 -5.062 1.00 1.00 C ATOM 1448 O LYS A 86 -10.569 -4.620 -5.729 1.00 1.00 O ATOM 1449 CB LYS A 86 -10.237 -1.638 -3.872 1.00 1.00 C ATOM 1450 CG LYS A 86 -8.906 -1.318 -3.171 1.00 1.00 C ATOM 1451 CD LYS A 86 -8.003 -0.520 -4.119 1.00 1.00 C ATOM 1452 CE LYS A 86 -8.186 0.979 -3.873 1.00 1.00 C ATOM 1453 NZ LYS A 86 -7.379 1.750 -4.862 1.00 1.00 N ATOM 0 H LYS A 86 -8.990 -3.968 -2.599 1.00 1.00 H new ATOM 0 HA LYS A 86 -11.615 -3.293 -3.848 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -10.198 -1.298 -4.907 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -11.047 -1.093 -3.388 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -9.091 -0.746 -2.262 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -8.410 -2.241 -2.872 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -6.961 -0.798 -3.963 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -8.246 -0.760 -5.154 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -9.239 1.246 -3.960 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -7.876 1.232 -2.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.504 2.769 -4.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -6.374 1.503 -4.758 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -7.695 1.517 -5.825 1.00 1.00 H new ATOM 1467 N THR A 87 -8.670 -3.546 -5.364 1.00 1.00 N ATOM 1468 CA THR A 87 -7.994 -4.166 -6.551 1.00 1.00 C ATOM 1469 C THR A 87 -6.527 -3.719 -6.586 1.00 1.00 C ATOM 1470 O THR A 87 -5.638 -4.515 -6.822 1.00 1.00 O ATOM 1471 CB THR A 87 -8.682 -3.734 -7.863 1.00 1.00 C ATOM 1472 OG1 THR A 87 -9.625 -2.695 -7.614 1.00 1.00 O ATOM 1473 CG2 THR A 87 -9.397 -4.937 -8.480 1.00 1.00 C ATOM 0 H THR A 87 -8.088 -2.898 -4.833 1.00 1.00 H new ATOM 0 HA THR A 87 -8.060 -5.250 -6.461 1.00 1.00 H new ATOM 0 HB THR A 87 -7.925 -3.360 -8.552 1.00 1.00 H new ATOM 0 HG1 THR A 87 -9.255 -1.839 -7.915 1.00 1.00 H new ATOM 0 HG21 THR A 87 -9.884 -4.635 -9.407 1.00 1.00 H new ATOM 0 HG22 THR A 87 -8.671 -5.723 -8.691 1.00 1.00 H new ATOM 0 HG23 THR A 87 -10.146 -5.312 -7.782 1.00 1.00 H new ATOM 1481 N GLN A 88 -6.273 -2.447 -6.351 1.00 1.00 N ATOM 1482 CA GLN A 88 -4.869 -1.930 -6.362 1.00 1.00 C ATOM 1483 C GLN A 88 -4.041 -2.673 -5.305 1.00 1.00 C ATOM 1484 O GLN A 88 -3.039 -3.289 -5.621 1.00 1.00 O ATOM 1485 CB GLN A 88 -4.872 -0.428 -6.055 1.00 1.00 C ATOM 1486 CG GLN A 88 -3.557 0.196 -6.531 1.00 1.00 C ATOM 1487 CD GLN A 88 -3.724 1.713 -6.653 1.00 1.00 C ATOM 1488 OE1 GLN A 88 -3.449 2.443 -5.722 1.00 1.00 O ATOM 1489 NE2 GLN A 88 -4.167 2.222 -7.771 1.00 1.00 N ATOM 0 H GLN A 88 -6.986 -1.745 -6.151 1.00 1.00 H new ATOM 0 HA GLN A 88 -4.429 -2.095 -7.346 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -5.715 0.053 -6.551 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -4.997 -0.266 -4.984 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -2.757 -0.037 -5.828 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -3.269 -0.227 -7.493 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -4.398 1.610 -8.554 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -4.282 3.231 -7.862 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.459 -2.631 -4.056 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.701 -3.351 -2.984 1.00 1.00 C ATOM 1500 C VAL A 89 -3.781 -4.864 -3.238 1.00 1.00 C ATOM 1501 O VAL A 89 -2.844 -5.591 -2.974 1.00 1.00 O ATOM 1502 CB VAL A 89 -4.275 -3.025 -1.599 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.439 -3.732 -0.530 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -4.219 -1.513 -1.351 1.00 1.00 C ATOM 0 H VAL A 89 -5.289 -2.131 -3.738 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.661 -3.026 -3.008 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.311 -3.362 -1.553 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.842 -3.504 0.457 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.472 -4.809 -0.696 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.407 -3.387 -0.589 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.628 -1.291 -0.366 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.184 -1.175 -1.399 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -4.805 -0.998 -2.112 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.890 -5.340 -3.759 1.00 1.00 N ATOM 1515 CA GLU A 90 -5.023 -6.802 -4.048 1.00 1.00 C ATOM 1516 C GLU A 90 -3.964 -7.208 -5.084 1.00 1.00 C ATOM 1517 O GLU A 90 -3.419 -8.296 -5.032 1.00 1.00 O ATOM 1518 CB GLU A 90 -6.421 -7.090 -4.604 1.00 1.00 C ATOM 1519 CG GLU A 90 -6.799 -8.545 -4.315 1.00 1.00 C ATOM 1520 CD GLU A 90 -8.119 -8.883 -5.016 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -9.160 -8.655 -4.420 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -8.066 -9.364 -6.137 1.00 1.00 O ATOM 0 H GLU A 90 -5.707 -4.777 -3.996 1.00 1.00 H new ATOM 0 HA GLU A 90 -4.877 -7.372 -3.131 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -7.149 -6.418 -4.151 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -6.442 -6.905 -5.678 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -6.010 -9.212 -4.662 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -6.897 -8.699 -3.240 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.668 -6.329 -6.018 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.643 -6.629 -7.066 1.00 1.00 C ATOM 1531 C TRP A 91 -1.263 -6.769 -6.411 1.00 1.00 C ATOM 1532 O TRP A 91 -0.591 -7.772 -6.578 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.605 -5.479 -8.079 1.00 1.00 C ATOM 1534 CG TRP A 91 -2.862 -6.001 -9.456 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -3.987 -6.641 -9.849 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -1.999 -5.933 -10.628 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -3.870 -6.971 -11.186 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -2.662 -6.556 -11.711 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -0.718 -5.397 -10.854 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -2.075 -6.644 -12.974 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -0.125 -5.484 -12.124 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -0.803 -6.106 -13.182 1.00 1.00 C ATOM 0 H TRP A 91 -4.100 -5.408 -6.096 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.902 -7.559 -7.571 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -3.353 -4.730 -7.820 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -1.634 -4.985 -8.044 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.838 -6.859 -9.221 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -4.588 -7.461 -11.720 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -0.187 -4.916 -10.046 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -2.601 -7.125 -13.785 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 0.859 -5.069 -12.287 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -0.342 -6.169 -14.157 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.838 -5.765 -5.675 1.00 1.00 N ATOM 1554 CA LEU A 92 0.504 -5.821 -5.009 1.00 1.00 C ATOM 1555 C LEU A 92 0.555 -6.988 -4.008 1.00 1.00 C ATOM 1556 O LEU A 92 1.568 -7.655 -3.886 1.00 1.00 O ATOM 1557 CB LEU A 92 0.804 -4.492 -4.288 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.379 -4.062 -3.408 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -0.188 -4.588 -1.982 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.459 -2.531 -3.375 1.00 1.00 C ATOM 0 H LEU A 92 -1.365 -4.908 -5.508 1.00 1.00 H new ATOM 0 HA LEU A 92 1.262 -5.981 -5.775 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.698 -4.602 -3.674 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.016 -3.715 -5.023 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.300 -4.472 -3.823 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -1.031 -4.279 -1.364 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.131 -5.676 -2.000 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.735 -4.184 -1.566 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.298 -2.224 -2.751 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.466 -2.127 -2.964 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.602 -2.152 -4.387 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.526 -7.246 -3.301 1.00 1.00 N ATOM 1573 CA LYS A 93 -0.537 -8.378 -2.319 1.00 1.00 C ATOM 1574 C LYS A 93 -0.391 -9.706 -3.076 1.00 1.00 C ATOM 1575 O LYS A 93 0.389 -10.564 -2.691 1.00 1.00 O ATOM 1576 CB LYS A 93 -1.852 -8.365 -1.527 1.00 1.00 C ATOM 1577 CG LYS A 93 -1.553 -8.400 -0.022 1.00 1.00 C ATOM 1578 CD LYS A 93 -0.693 -7.194 0.372 1.00 1.00 C ATOM 1579 CE LYS A 93 -1.409 -6.375 1.449 1.00 1.00 C ATOM 1580 NZ LYS A 93 -0.708 -5.071 1.632 1.00 1.00 N ATOM 0 H LYS A 93 -1.398 -6.721 -3.364 1.00 1.00 H new ATOM 0 HA LYS A 93 0.294 -8.267 -1.622 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -2.426 -7.471 -1.772 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -2.463 -9.223 -1.806 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.486 -8.391 0.542 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.035 -9.325 0.232 1.00 1.00 H new ATOM 0 HD2 LYS A 93 0.275 -7.532 0.743 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -0.500 -6.572 -0.502 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -2.447 -6.205 1.161 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -1.425 -6.926 2.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -1.120 -4.566 2.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 0.303 -5.242 1.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -0.817 -4.495 0.773 1.00 1.00 H new ATOM 1594 N ARG A 94 -1.116 -9.869 -4.166 1.00 1.00 N ATOM 1595 CA ARG A 94 -1.003 -11.126 -4.974 1.00 1.00 C ATOM 1596 C ARG A 94 0.457 -11.301 -5.410 1.00 1.00 C ATOM 1597 O ARG A 94 0.978 -12.402 -5.442 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.901 -11.030 -6.213 1.00 1.00 C ATOM 1599 CG ARG A 94 -3.337 -11.407 -5.837 1.00 1.00 C ATOM 1600 CD ARG A 94 -4.288 -10.992 -6.963 1.00 1.00 C ATOM 1601 NE ARG A 94 -4.149 -11.941 -8.106 1.00 1.00 N ATOM 1602 CZ ARG A 94 -5.157 -12.695 -8.458 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -5.434 -13.777 -7.777 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -5.888 -12.365 -9.492 1.00 1.00 N ATOM 0 H ARG A 94 -1.779 -9.184 -4.527 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.318 -11.980 -4.374 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.874 -10.018 -6.617 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.532 -11.695 -6.994 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.408 -12.481 -5.664 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.621 -10.915 -4.907 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -5.317 -10.989 -6.602 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -4.061 -9.977 -7.289 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.266 -12.001 -8.613 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.863 -14.032 -6.971 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -6.221 -14.365 -8.052 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -5.671 -11.521 -10.022 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -6.675 -12.952 -9.768 1.00 1.00 H new ATOM 1618 N LYS A 95 1.117 -10.208 -5.723 1.00 1.00 N ATOM 1619 CA LYS A 95 2.551 -10.258 -6.138 1.00 1.00 C ATOM 1620 C LYS A 95 3.410 -10.762 -4.969 1.00 1.00 C ATOM 1621 O LYS A 95 4.406 -11.433 -5.173 1.00 1.00 O ATOM 1622 CB LYS A 95 3.013 -8.852 -6.535 1.00 1.00 C ATOM 1623 CG LYS A 95 3.830 -8.920 -7.830 1.00 1.00 C ATOM 1624 CD LYS A 95 3.207 -7.995 -8.878 1.00 1.00 C ATOM 1625 CE LYS A 95 3.519 -6.537 -8.529 1.00 1.00 C ATOM 1626 NZ LYS A 95 2.687 -5.631 -9.373 1.00 1.00 N ATOM 0 H LYS A 95 0.713 -9.272 -5.707 1.00 1.00 H new ATOM 0 HA LYS A 95 2.659 -10.935 -6.986 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.150 -8.201 -6.673 1.00 1.00 H new ATOM 0 HB3 LYS A 95 3.615 -8.418 -5.737 1.00 1.00 H new ATOM 0 HG2 LYS A 95 4.862 -8.625 -7.637 1.00 1.00 H new ATOM 0 HG3 LYS A 95 3.855 -9.944 -8.203 1.00 1.00 H new ATOM 0 HD2 LYS A 95 3.598 -8.234 -9.867 1.00 1.00 H new ATOM 0 HD3 LYS A 95 2.128 -8.147 -8.916 1.00 1.00 H new ATOM 0 HE2 LYS A 95 3.317 -6.354 -7.474 1.00 1.00 H new ATOM 0 HE3 LYS A 95 4.577 -6.332 -8.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 2.900 -4.641 -9.135 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 2.900 -5.799 -10.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 1.680 -5.820 -9.197 1.00 1.00 H new ATOM 1640 N GLY A 96 3.032 -10.440 -3.747 1.00 1.00 N ATOM 1641 CA GLY A 96 3.824 -10.895 -2.565 1.00 1.00 C ATOM 1642 C GLY A 96 3.794 -12.423 -2.489 1.00 1.00 C ATOM 1643 O GLY A 96 4.810 -13.059 -2.273 1.00 1.00 O ATOM 0 H GLY A 96 2.208 -9.881 -3.524 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.853 -10.544 -2.646 1.00 1.00 H new ATOM 0 HA3 GLY A 96 3.412 -10.467 -1.651 1.00 1.00 H new ATOM 1647 N TYR A 97 2.634 -13.011 -2.670 1.00 1.00 N ATOM 1648 CA TYR A 97 2.523 -14.508 -2.617 1.00 1.00 C ATOM 1649 C TYR A 97 3.297 -15.119 -3.792 1.00 1.00 C ATOM 1650 O TYR A 97 3.951 -16.134 -3.649 1.00 1.00 O ATOM 1651 CB TYR A 97 1.052 -14.954 -2.697 1.00 1.00 C ATOM 1652 CG TYR A 97 0.146 -13.937 -2.036 1.00 1.00 C ATOM 1653 CD1 TYR A 97 0.475 -13.401 -0.783 1.00 1.00 C ATOM 1654 CD2 TYR A 97 -1.024 -13.530 -2.684 1.00 1.00 C ATOM 1655 CE1 TYR A 97 -0.365 -12.458 -0.183 1.00 1.00 C ATOM 1656 CE2 TYR A 97 -1.866 -12.590 -2.083 1.00 1.00 C ATOM 1657 CZ TYR A 97 -1.538 -12.053 -0.833 1.00 1.00 C ATOM 1658 OH TYR A 97 -2.373 -11.131 -0.239 1.00 1.00 O ATOM 0 H TYR A 97 1.759 -12.520 -2.852 1.00 1.00 H new ATOM 0 HA TYR A 97 2.941 -14.850 -1.671 1.00 1.00 H new ATOM 0 HB2 TYR A 97 0.762 -15.082 -3.740 1.00 1.00 H new ATOM 0 HB3 TYR A 97 0.934 -15.923 -2.212 1.00 1.00 H new ATOM 0 HD1 TYR A 97 1.378 -13.717 -0.281 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -1.277 -13.942 -3.650 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -0.110 -12.042 0.781 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -2.771 -12.278 -2.584 1.00 1.00 H new ATOM 0 HH TYR A 97 -2.310 -11.213 0.736 1.00 1.00 H new ATOM 1668 N LEU A 98 3.221 -14.501 -4.952 1.00 1.00 N ATOM 1669 CA LEU A 98 3.941 -15.022 -6.154 1.00 1.00 C ATOM 1670 C LEU A 98 5.448 -15.079 -5.869 1.00 1.00 C ATOM 1671 O LEU A 98 6.094 -16.081 -6.119 1.00 1.00 O ATOM 1672 CB LEU A 98 3.664 -14.082 -7.340 1.00 1.00 C ATOM 1673 CG LEU A 98 4.332 -14.597 -8.626 1.00 1.00 C ATOM 1674 CD1 LEU A 98 5.815 -14.220 -8.626 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.191 -16.120 -8.723 1.00 1.00 C ATOM 0 H LEU A 98 2.684 -13.649 -5.114 1.00 1.00 H new ATOM 0 HA LEU A 98 3.592 -16.027 -6.392 1.00 1.00 H new ATOM 0 HB2 LEU A 98 2.589 -13.995 -7.495 1.00 1.00 H new ATOM 0 HB3 LEU A 98 4.034 -13.083 -7.110 1.00 1.00 H new ATOM 0 HG LEU A 98 3.840 -14.139 -9.484 1.00 1.00 H new ATOM 0 HD11 LEU A 98 6.284 -14.587 -9.539 1.00 1.00 H new ATOM 0 HD12 LEU A 98 5.915 -13.136 -8.578 1.00 1.00 H new ATOM 0 HD13 LEU A 98 6.304 -14.668 -7.761 1.00 1.00 H new ATOM 0 HD21 LEU A 98 4.668 -16.472 -9.638 1.00 1.00 H new ATOM 0 HD22 LEU A 98 4.670 -16.585 -7.862 1.00 1.00 H new ATOM 0 HD23 LEU A 98 3.134 -16.387 -8.739 1.00 1.00 H new ATOM 1687 N ASP A 99 6.007 -14.011 -5.352 1.00 1.00 N ATOM 1688 CA ASP A 99 7.472 -13.986 -5.048 1.00 1.00 C ATOM 1689 C ASP A 99 7.805 -15.044 -3.984 1.00 1.00 C ATOM 1690 O ASP A 99 8.794 -15.747 -4.094 1.00 1.00 O ATOM 1691 CB ASP A 99 7.859 -12.597 -4.527 1.00 1.00 C ATOM 1692 CG ASP A 99 9.385 -12.450 -4.530 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.923 -12.055 -5.552 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.990 -12.733 -3.507 1.00 1.00 O ATOM 0 H ASP A 99 5.508 -13.151 -5.126 1.00 1.00 H new ATOM 0 HA ASP A 99 8.031 -14.206 -5.957 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.409 -11.825 -5.151 1.00 1.00 H new ATOM 0 HB3 ASP A 99 7.473 -12.456 -3.518 1.00 1.00 H new ATOM 1699 N GLU A 100 6.991 -15.155 -2.957 1.00 1.00 N ATOM 1700 CA GLU A 100 7.257 -16.160 -1.879 1.00 1.00 C ATOM 1701 C GLU A 100 7.138 -17.584 -2.442 1.00 1.00 C ATOM 1702 O GLU A 100 8.055 -18.377 -2.326 1.00 1.00 O ATOM 1703 CB GLU A 100 6.244 -15.971 -0.743 1.00 1.00 C ATOM 1704 CG GLU A 100 6.872 -16.410 0.585 1.00 1.00 C ATOM 1705 CD GLU A 100 6.326 -17.785 0.988 1.00 1.00 C ATOM 1706 OE1 GLU A 100 6.868 -18.777 0.525 1.00 1.00 O ATOM 1707 OE2 GLU A 100 5.376 -17.823 1.754 1.00 1.00 O ATOM 0 H GLU A 100 6.152 -14.590 -2.821 1.00 1.00 H new ATOM 0 HA GLU A 100 8.267 -16.013 -1.497 1.00 1.00 H new ATOM 0 HB2 GLU A 100 5.939 -14.926 -0.685 1.00 1.00 H new ATOM 0 HB3 GLU A 100 5.346 -16.555 -0.943 1.00 1.00 H new ATOM 0 HG2 GLU A 100 7.957 -16.453 0.488 1.00 1.00 H new ATOM 0 HG3 GLU A 100 6.650 -15.678 1.362 1.00 1.00 H new ATOM 1714 N LEU A 101 6.016 -17.913 -3.043 1.00 1.00 N ATOM 1715 CA LEU A 101 5.830 -19.288 -3.610 1.00 1.00 C ATOM 1716 C LEU A 101 4.897 -19.237 -4.834 1.00 1.00 C ATOM 1717 O LEU A 101 4.551 -18.173 -5.314 1.00 1.00 O ATOM 1718 CB LEU A 101 5.225 -20.202 -2.533 1.00 1.00 C ATOM 1719 CG LEU A 101 3.819 -19.714 -2.161 1.00 1.00 C ATOM 1720 CD1 LEU A 101 2.806 -20.836 -2.398 1.00 1.00 C ATOM 1721 CD2 LEU A 101 3.792 -19.308 -0.685 1.00 1.00 C ATOM 0 H LEU A 101 5.220 -17.286 -3.165 1.00 1.00 H new ATOM 0 HA LEU A 101 6.797 -19.681 -3.924 1.00 1.00 H new ATOM 0 HB2 LEU A 101 5.178 -21.228 -2.899 1.00 1.00 H new ATOM 0 HB3 LEU A 101 5.863 -20.208 -1.649 1.00 1.00 H new ATOM 0 HG LEU A 101 3.560 -18.855 -2.780 1.00 1.00 H new ATOM 0 HD11 LEU A 101 1.808 -20.487 -2.133 1.00 1.00 H new ATOM 0 HD12 LEU A 101 2.822 -21.125 -3.449 1.00 1.00 H new ATOM 0 HD13 LEU A 101 3.065 -21.696 -1.781 1.00 1.00 H new ATOM 0 HD21 LEU A 101 2.793 -18.961 -0.421 1.00 1.00 H new ATOM 0 HD22 LEU A 101 4.053 -20.167 -0.067 1.00 1.00 H new ATOM 0 HD23 LEU A 101 4.511 -18.506 -0.515 1.00 1.00 H new ATOM 1733 N LEU A 102 4.494 -20.390 -5.335 1.00 1.00 N ATOM 1734 CA LEU A 102 3.582 -20.453 -6.528 1.00 1.00 C ATOM 1735 C LEU A 102 4.373 -20.155 -7.814 1.00 1.00 C ATOM 1736 O LEU A 102 4.973 -19.093 -7.900 1.00 1.00 O ATOM 1737 CB LEU A 102 2.430 -19.445 -6.373 1.00 1.00 C ATOM 1738 CG LEU A 102 1.148 -20.026 -6.979 1.00 1.00 C ATOM 1739 CD1 LEU A 102 -0.070 -19.397 -6.299 1.00 1.00 C ATOM 1740 CD2 LEU A 102 1.107 -19.722 -8.479 1.00 1.00 C ATOM 1741 OXT LEU A 102 4.363 -20.999 -8.695 1.00 1.00 O ATOM 0 H LEU A 102 4.763 -21.300 -4.961 1.00 1.00 H new ATOM 0 HA LEU A 102 3.163 -21.457 -6.594 1.00 1.00 H new ATOM 0 HB2 LEU A 102 2.274 -19.216 -5.319 1.00 1.00 H new ATOM 0 HB3 LEU A 102 2.685 -18.508 -6.868 1.00 1.00 H new ATOM 0 HG LEU A 102 1.133 -21.105 -6.826 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -0.982 -19.811 -6.730 1.00 1.00 H new ATOM 0 HD12 LEU A 102 -0.043 -19.614 -5.231 1.00 1.00 H new ATOM 0 HD13 LEU A 102 -0.054 -18.318 -6.450 1.00 1.00 H new ATOM 0 HD21 LEU A 102 0.195 -20.136 -8.909 1.00 1.00 H new ATOM 0 HD22 LEU A 102 1.124 -18.643 -8.632 1.00 1.00 H new ATOM 0 HD23 LEU A 102 1.973 -20.171 -8.965 1.00 1.00 H new TER 1753 LEU A 102