USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 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 -160:sc= -0.161 (180deg=-0.895) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.05 (180deg=0.0113) USER MOD Single : A 3 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.91) USER MOD Single : A 7 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.034) USER MOD Single : A 13 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-1.1) USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00594 F(o=-1.4!,f=-0.0059) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= 0.932 (180deg=0.191) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0999) USER MOD Single : A 21 SER OG : rot 180:sc= -0.212 USER MOD Single : A 22 THR OG1 : rot -132:sc= 1.42 USER MOD Single : A 23 TYR OH : rot 66:sc= 0.0273 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.2) USER MOD Single : A 29 MET CE :methyl -111:sc= -1.65 (180deg=-3.22) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-6.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.176 USER MOD Single : A 51 LYS NZ :NH3+ -106:sc= -1.07 (180deg=-3.5!) USER MOD Single : A 59 ASN : amide:sc= -4.26! C(o=-4.3!,f=-7.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -59:sc= 0.354 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.45 K(o=-2.5,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0.557 (180deg=0.0591!) USER MOD Single : A 76 GLN : amide:sc= -0.703 K(o=-0.7,f=-4.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0.992) USER MOD Single : A 96 TYR OH : rot 165:sc= 0.73 USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.579 -5.897 14.880 1.00 13.24 N ATOM 2 CA MET A 1 -11.264 -6.298 14.305 1.00 65.55 C ATOM 3 C MET A 1 -11.319 -7.757 13.832 1.00 1.23 C ATOM 4 O MET A 1 -10.890 -8.076 12.720 1.00 10.24 O ATOM 5 CB MET A 1 -10.147 -6.101 15.343 1.00 61.03 C ATOM 6 CG MET A 1 -8.745 -6.116 14.750 1.00 34.15 C ATOM 7 SD MET A 1 -7.466 -5.784 15.978 1.00 34.44 S ATOM 8 CE MET A 1 -6.045 -5.473 14.929 1.00 54.22 C ATOM 0 H1 MET A 1 -12.861 -4.975 14.491 1.00 13.24 H new ATOM 0 H2 MET A 1 -13.296 -6.609 14.636 1.00 13.24 H new ATOM 0 H3 MET A 1 -12.499 -5.827 15.915 1.00 13.24 H new ATOM 0 HA MET A 1 -11.045 -5.666 13.445 1.00 65.55 H new ATOM 0 HB2 MET A 1 -10.304 -5.152 15.856 1.00 61.03 H new ATOM 0 HB3 MET A 1 -10.221 -6.886 16.096 1.00 61.03 H new ATOM 0 HG2 MET A 1 -8.559 -7.087 14.291 1.00 34.15 H new ATOM 0 HG3 MET A 1 -8.683 -5.372 13.956 1.00 34.15 H new ATOM 0 HE1 MET A 1 -5.130 -5.604 15.507 1.00 54.22 H new ATOM 0 HE2 MET A 1 -6.050 -6.173 14.093 1.00 54.22 H new ATOM 0 HE3 MET A 1 -6.090 -4.453 14.548 1.00 54.22 H new ATOM 20 N ASP A 2 -11.818 -8.635 14.709 1.00 15.32 N ATOM 21 CA ASP A 2 -12.221 -10.002 14.339 1.00 22.42 C ATOM 22 C ASP A 2 -11.102 -10.797 13.640 1.00 72.00 C ATOM 23 O ASP A 2 -11.374 -11.631 12.777 1.00 62.43 O ATOM 24 CB ASP A 2 -13.466 -9.924 13.446 1.00 25.11 C ATOM 25 CG ASP A 2 -14.602 -9.164 14.115 1.00 72.43 C ATOM 26 OD1 ASP A 2 -14.513 -7.918 14.220 1.00 0.43 O ATOM 27 OD2 ASP A 2 -15.586 -9.800 14.538 1.00 41.43 O ATOM 0 H ASP A 2 -11.955 -8.421 15.697 1.00 15.32 H new ATOM 0 HA ASP A 2 -12.442 -10.545 15.258 1.00 22.42 H new ATOM 0 HB2 ASP A 2 -13.208 -9.436 12.506 1.00 25.11 H new ATOM 0 HB3 ASP A 2 -13.800 -10.932 13.201 1.00 25.11 H new ATOM 32 N GLN A 3 -9.849 -10.542 14.023 1.00 63.25 N ATOM 33 CA GLN A 3 -8.675 -11.225 13.434 1.00 40.12 C ATOM 34 C GLN A 3 -8.407 -10.834 11.963 1.00 52.11 C ATOM 35 O GLN A 3 -7.256 -10.847 11.526 1.00 42.31 O ATOM 36 CB GLN A 3 -8.788 -12.758 13.569 1.00 62.35 C ATOM 37 CG GLN A 3 -8.355 -13.291 14.933 1.00 32.22 C ATOM 38 CD GLN A 3 -6.878 -13.047 15.209 1.00 70.53 C ATOM 39 OE1 GLN A 3 -6.058 -13.011 14.297 1.00 34.42 O ATOM 40 NE2 GLN A 3 -6.524 -12.871 16.464 1.00 43.40 N ATOM 0 H GLN A 3 -9.611 -9.862 14.745 1.00 63.25 H new ATOM 0 HA GLN A 3 -7.817 -10.880 14.011 1.00 40.12 H new ATOM 0 HB2 GLN A 3 -9.821 -13.054 13.385 1.00 62.35 H new ATOM 0 HB3 GLN A 3 -8.179 -13.227 12.796 1.00 62.35 H new ATOM 0 HG2 GLN A 3 -8.951 -12.815 15.712 1.00 32.22 H new ATOM 0 HG3 GLN A 3 -8.560 -14.360 14.984 1.00 32.22 H new ATOM 0 HE21 GLN A 3 -7.227 -12.906 17.202 1.00 43.40 H new ATOM 0 HE22 GLN A 3 -5.546 -12.699 16.699 1.00 43.40 H new ATOM 49 N PHE A 4 -9.451 -10.490 11.203 1.00 45.05 N ATOM 50 CA PHE A 4 -9.287 -10.031 9.814 1.00 31.24 C ATOM 51 C PHE A 4 -8.201 -8.948 9.703 1.00 2.41 C ATOM 52 O PHE A 4 -7.219 -9.104 8.972 1.00 4.50 O ATOM 53 CB PHE A 4 -10.623 -9.494 9.274 1.00 22.04 C ATOM 54 CG PHE A 4 -10.507 -8.795 7.939 1.00 70.11 C ATOM 55 CD1 PHE A 4 -10.165 -9.502 6.796 1.00 43.40 C ATOM 56 CD2 PHE A 4 -10.738 -7.430 7.831 1.00 0.34 C ATOM 57 CE1 PHE A 4 -10.055 -8.864 5.575 1.00 61.02 C ATOM 58 CE2 PHE A 4 -10.630 -6.787 6.611 1.00 65.45 C ATOM 59 CZ PHE A 4 -10.288 -7.505 5.484 1.00 45.14 C ATOM 0 H PHE A 4 -10.419 -10.519 11.523 1.00 45.05 H new ATOM 0 HA PHE A 4 -8.972 -10.885 9.215 1.00 31.24 H new ATOM 0 HB2 PHE A 4 -11.325 -10.323 9.180 1.00 22.04 H new ATOM 0 HB3 PHE A 4 -11.045 -8.800 10.001 1.00 22.04 H new ATOM 0 HD1 PHE A 4 -9.982 -10.564 6.861 1.00 43.40 H new ATOM 0 HD2 PHE A 4 -11.005 -6.863 8.711 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -9.787 -9.427 4.693 1.00 61.02 H new ATOM 0 HE2 PHE A 4 -10.813 -5.725 6.541 1.00 65.45 H new ATOM 0 HZ PHE A 4 -10.202 -7.005 4.531 1.00 45.14 H new ATOM 69 N LEU A 5 -8.382 -7.861 10.448 1.00 3.11 N ATOM 70 CA LEU A 5 -7.412 -6.762 10.460 1.00 23.20 C ATOM 71 C LEU A 5 -6.043 -7.231 10.982 1.00 42.10 C ATOM 72 O LEU A 5 -5.003 -6.820 10.477 1.00 2.53 O ATOM 73 CB LEU A 5 -7.937 -5.602 11.315 1.00 4.31 C ATOM 74 CG LEU A 5 -9.260 -4.981 10.837 1.00 34.35 C ATOM 75 CD1 LEU A 5 -9.712 -3.872 11.783 1.00 53.11 C ATOM 76 CD2 LEU A 5 -9.119 -4.451 9.412 1.00 51.43 C ATOM 0 H LEU A 5 -9.190 -7.714 11.052 1.00 3.11 H new ATOM 0 HA LEU A 5 -7.280 -6.418 9.434 1.00 23.20 H new ATOM 0 HB2 LEU A 5 -8.069 -5.956 12.337 1.00 4.31 H new ATOM 0 HB3 LEU A 5 -7.177 -4.821 11.344 1.00 4.31 H new ATOM 0 HG LEU A 5 -10.023 -5.759 10.840 1.00 34.35 H new ATOM 0 HD11 LEU A 5 -10.650 -3.448 11.424 1.00 53.11 H new ATOM 0 HD12 LEU A 5 -9.858 -4.283 12.782 1.00 53.11 H new ATOM 0 HD13 LEU A 5 -8.951 -3.092 11.819 1.00 53.11 H new ATOM 0 HD21 LEU A 5 -10.065 -4.015 9.091 1.00 51.43 H new ATOM 0 HD22 LEU A 5 -8.340 -3.689 9.383 1.00 51.43 H new ATOM 0 HD23 LEU A 5 -8.851 -5.270 8.744 1.00 51.43 H new ATOM 88 N VAL A 6 -6.055 -8.110 11.984 1.00 13.44 N ATOM 89 CA VAL A 6 -4.814 -8.634 12.573 1.00 33.50 C ATOM 90 C VAL A 6 -3.925 -9.311 11.516 1.00 44.33 C ATOM 91 O VAL A 6 -2.729 -9.028 11.419 1.00 23.35 O ATOM 92 CB VAL A 6 -5.112 -9.649 13.711 1.00 42.43 C ATOM 93 CG1 VAL A 6 -3.814 -10.170 14.336 1.00 3.44 C ATOM 94 CG2 VAL A 6 -6.013 -9.022 14.775 1.00 31.10 C ATOM 0 H VAL A 6 -6.908 -8.476 12.407 1.00 13.44 H new ATOM 0 HA VAL A 6 -4.282 -7.777 12.986 1.00 33.50 H new ATOM 0 HB VAL A 6 -5.640 -10.497 13.275 1.00 42.43 H new ATOM 0 HG11 VAL A 6 -4.051 -10.879 15.130 1.00 3.44 H new ATOM 0 HG12 VAL A 6 -3.216 -10.667 13.572 1.00 3.44 H new ATOM 0 HG13 VAL A 6 -3.250 -9.335 14.752 1.00 3.44 H new ATOM 0 HG21 VAL A 6 -6.208 -9.751 15.562 1.00 31.10 H new ATOM 0 HG22 VAL A 6 -5.518 -8.150 15.203 1.00 31.10 H new ATOM 0 HG23 VAL A 6 -6.956 -8.718 14.320 1.00 31.10 H new ATOM 104 N GLN A 7 -4.523 -10.191 10.715 1.00 74.02 N ATOM 105 CA GLN A 7 -3.775 -10.950 9.707 1.00 10.30 C ATOM 106 C GLN A 7 -3.209 -10.037 8.604 1.00 4.43 C ATOM 107 O GLN A 7 -2.009 -10.070 8.316 1.00 3.03 O ATOM 108 CB GLN A 7 -4.665 -12.039 9.086 1.00 61.02 C ATOM 109 CG GLN A 7 -5.297 -12.993 10.102 1.00 41.55 C ATOM 110 CD GLN A 7 -4.274 -13.690 10.990 1.00 41.12 C ATOM 111 OE1 GLN A 7 -3.770 -14.758 10.664 1.00 11.13 O ATOM 112 NE2 GLN A 7 -3.977 -13.103 12.132 1.00 44.54 N ATOM 0 H GLN A 7 -5.521 -10.398 10.742 1.00 74.02 H new ATOM 0 HA GLN A 7 -2.932 -11.420 10.213 1.00 10.30 H new ATOM 0 HB2 GLN A 7 -5.459 -11.560 8.513 1.00 61.02 H new ATOM 0 HB3 GLN A 7 -4.070 -12.620 8.382 1.00 61.02 H new ATOM 0 HG2 GLN A 7 -5.993 -12.436 10.729 1.00 41.55 H new ATOM 0 HG3 GLN A 7 -5.879 -13.746 9.570 1.00 41.55 H new ATOM 0 HE21 GLN A 7 -4.413 -12.214 12.377 1.00 44.54 H new ATOM 0 HE22 GLN A 7 -3.312 -13.538 12.771 1.00 44.54 H new ATOM 121 N ILE A 8 -4.068 -9.210 7.999 1.00 33.22 N ATOM 122 CA ILE A 8 -3.633 -8.330 6.904 1.00 33.34 C ATOM 123 C ILE A 8 -2.520 -7.361 7.353 1.00 61.02 C ATOM 124 O ILE A 8 -1.569 -7.113 6.610 1.00 70.13 O ATOM 125 CB ILE A 8 -4.811 -7.526 6.285 1.00 52.24 C ATOM 126 CG1 ILE A 8 -5.477 -6.616 7.332 1.00 13.14 C ATOM 127 CG2 ILE A 8 -5.839 -8.472 5.663 1.00 72.41 C ATOM 128 CD1 ILE A 8 -6.626 -5.787 6.786 1.00 3.23 C ATOM 0 H ILE A 8 -5.055 -9.130 8.243 1.00 33.22 H new ATOM 0 HA ILE A 8 -3.232 -8.990 6.135 1.00 33.34 H new ATOM 0 HB ILE A 8 -4.405 -6.889 5.499 1.00 52.24 H new ATOM 0 HG12 ILE A 8 -5.844 -7.232 8.153 1.00 13.14 H new ATOM 0 HG13 ILE A 8 -4.724 -5.946 7.748 1.00 13.14 H new ATOM 0 HG21 ILE A 8 -6.656 -7.891 5.235 1.00 72.41 H new ATOM 0 HG22 ILE A 8 -5.363 -9.062 4.879 1.00 72.41 H new ATOM 0 HG23 ILE A 8 -6.231 -9.139 6.431 1.00 72.41 H new ATOM 0 HD11 ILE A 8 -7.043 -5.173 7.584 1.00 3.23 H new ATOM 0 HD12 ILE A 8 -6.262 -5.144 5.985 1.00 3.23 H new ATOM 0 HD13 ILE A 8 -7.399 -6.449 6.396 1.00 3.23 H new ATOM 140 N PHE A 9 -2.630 -6.836 8.579 1.00 70.23 N ATOM 141 CA PHE A 9 -1.601 -5.938 9.130 1.00 50.51 C ATOM 142 C PHE A 9 -0.267 -6.676 9.332 1.00 73.12 C ATOM 143 O PHE A 9 0.804 -6.146 9.024 1.00 73.43 O ATOM 144 CB PHE A 9 -2.067 -5.319 10.461 1.00 3.02 C ATOM 145 CG PHE A 9 -3.281 -4.423 10.351 1.00 3.42 C ATOM 146 CD1 PHE A 9 -3.733 -3.965 9.119 1.00 40.34 C ATOM 147 CD2 PHE A 9 -3.965 -4.033 11.494 1.00 42.35 C ATOM 148 CE1 PHE A 9 -4.839 -3.141 9.033 1.00 60.04 C ATOM 149 CE2 PHE A 9 -5.072 -3.209 11.411 1.00 22.11 C ATOM 150 CZ PHE A 9 -5.510 -2.763 10.181 1.00 22.20 C ATOM 0 H PHE A 9 -3.414 -7.014 9.207 1.00 70.23 H new ATOM 0 HA PHE A 9 -1.445 -5.138 8.407 1.00 50.51 H new ATOM 0 HB2 PHE A 9 -2.289 -6.124 11.162 1.00 3.02 H new ATOM 0 HB3 PHE A 9 -1.245 -4.743 10.886 1.00 3.02 H new ATOM 0 HD1 PHE A 9 -3.214 -4.257 8.218 1.00 40.34 H new ATOM 0 HD2 PHE A 9 -3.628 -4.378 12.461 1.00 42.35 H new ATOM 0 HE1 PHE A 9 -5.179 -2.792 8.069 1.00 60.04 H new ATOM 0 HE2 PHE A 9 -5.594 -2.914 12.309 1.00 22.11 H new ATOM 0 HZ PHE A 9 -6.375 -2.120 10.115 1.00 22.20 H new ATOM 160 N ALA A 10 -0.341 -7.911 9.836 1.00 54.24 N ATOM 161 CA ALA A 10 0.852 -8.741 10.045 1.00 1.44 C ATOM 162 C ALA A 10 1.640 -8.930 8.737 1.00 53.52 C ATOM 163 O ALA A 10 2.870 -9.041 8.747 1.00 52.02 O ATOM 164 CB ALA A 10 0.456 -10.096 10.625 1.00 34.35 C ATOM 0 H ALA A 10 -1.216 -8.360 10.108 1.00 54.24 H new ATOM 0 HA ALA A 10 1.500 -8.225 10.754 1.00 1.44 H new ATOM 0 HB1 ALA A 10 1.349 -10.702 10.775 1.00 34.35 H new ATOM 0 HB2 ALA A 10 -0.048 -9.950 11.580 1.00 34.35 H new ATOM 0 HB3 ALA A 10 -0.216 -10.605 9.934 1.00 34.35 H new ATOM 170 N VAL A 11 0.919 -8.978 7.618 1.00 43.23 N ATOM 171 CA VAL A 11 1.543 -9.068 6.292 1.00 24.42 C ATOM 172 C VAL A 11 2.209 -7.738 5.887 1.00 41.45 C ATOM 173 O VAL A 11 3.308 -7.728 5.326 1.00 51.43 O ATOM 174 CB VAL A 11 0.505 -9.478 5.215 1.00 43.13 C ATOM 175 CG1 VAL A 11 1.160 -9.603 3.840 1.00 3.24 C ATOM 176 CG2 VAL A 11 -0.186 -10.785 5.607 1.00 52.13 C ATOM 0 H VAL A 11 -0.101 -8.956 7.600 1.00 43.23 H new ATOM 0 HA VAL A 11 2.314 -9.836 6.355 1.00 24.42 H new ATOM 0 HB VAL A 11 -0.249 -8.693 5.156 1.00 43.13 H new ATOM 0 HG11 VAL A 11 0.409 -9.891 3.104 1.00 3.24 H new ATOM 0 HG12 VAL A 11 1.597 -8.645 3.557 1.00 3.24 H new ATOM 0 HG13 VAL A 11 1.942 -10.361 3.877 1.00 3.24 H new ATOM 0 HG21 VAL A 11 -0.911 -11.058 4.840 1.00 52.13 H new ATOM 0 HG22 VAL A 11 0.558 -11.576 5.701 1.00 52.13 H new ATOM 0 HG23 VAL A 11 -0.698 -10.654 6.560 1.00 52.13 H new ATOM 186 N ILE A 12 1.548 -6.620 6.190 1.00 14.31 N ATOM 187 CA ILE A 12 2.048 -5.285 5.818 1.00 61.54 C ATOM 188 C ILE A 12 3.425 -4.976 6.443 1.00 21.04 C ATOM 189 O ILE A 12 4.282 -4.356 5.809 1.00 1.03 O ATOM 190 CB ILE A 12 1.037 -4.182 6.228 1.00 63.43 C ATOM 191 CG1 ILE A 12 -0.317 -4.411 5.530 1.00 22.43 C ATOM 192 CG2 ILE A 12 1.585 -2.791 5.899 1.00 14.14 C ATOM 193 CD1 ILE A 12 -1.391 -3.416 5.925 1.00 12.01 C ATOM 0 H ILE A 12 0.661 -6.607 6.694 1.00 14.31 H new ATOM 0 HA ILE A 12 2.164 -5.291 4.734 1.00 61.54 H new ATOM 0 HB ILE A 12 0.886 -4.239 7.306 1.00 63.43 H new ATOM 0 HG12 ILE A 12 -0.171 -4.363 4.451 1.00 22.43 H new ATOM 0 HG13 ILE A 12 -0.667 -5.418 5.759 1.00 22.43 H new ATOM 0 HG21 ILE A 12 0.859 -2.034 6.195 1.00 14.14 H new ATOM 0 HG22 ILE A 12 2.518 -2.630 6.440 1.00 14.14 H new ATOM 0 HG23 ILE A 12 1.769 -2.717 4.827 1.00 14.14 H new ATOM 0 HD11 ILE A 12 -2.313 -3.645 5.391 1.00 12.01 H new ATOM 0 HD12 ILE A 12 -1.568 -3.479 6.999 1.00 12.01 H new ATOM 0 HD13 ILE A 12 -1.065 -2.408 5.670 1.00 12.01 H new ATOM 205 N HIS A 13 3.642 -5.418 7.679 1.00 62.51 N ATOM 206 CA HIS A 13 4.924 -5.189 8.369 1.00 11.35 C ATOM 207 C HIS A 13 6.097 -5.929 7.694 1.00 32.52 C ATOM 208 O HIS A 13 7.258 -5.702 8.036 1.00 35.22 O ATOM 209 CB HIS A 13 4.831 -5.620 9.841 1.00 42.21 C ATOM 210 CG HIS A 13 3.939 -4.754 10.679 1.00 23.45 C ATOM 211 ND1 HIS A 13 4.332 -3.501 11.081 1.00 63.31 N ATOM 212 CD2 HIS A 13 2.703 -5.007 11.172 1.00 40.13 C ATOM 213 CE1 HIS A 13 3.336 -3.024 11.805 1.00 1.24 C ATOM 214 NE2 HIS A 13 2.327 -3.900 11.888 1.00 43.53 N ATOM 0 H HIS A 13 2.955 -5.935 8.227 1.00 62.51 H new ATOM 0 HA HIS A 13 5.123 -4.119 8.308 1.00 11.35 H new ATOM 0 HB2 HIS A 13 4.468 -6.647 9.885 1.00 42.21 H new ATOM 0 HB3 HIS A 13 5.832 -5.617 10.273 1.00 42.21 H new ATOM 0 HD2 HIS A 13 2.125 -5.908 11.029 1.00 40.13 H new ATOM 0 HE1 HIS A 13 3.335 -2.050 12.271 1.00 1.24 H new ATOM 0 HE2 HIS A 13 1.448 -3.769 12.388 1.00 43.53 H new ATOM 222 N GLN A 14 5.797 -6.815 6.744 1.00 50.40 N ATOM 223 CA GLN A 14 6.831 -7.642 6.102 1.00 14.21 C ATOM 224 C GLN A 14 7.259 -7.109 4.721 1.00 65.42 C ATOM 225 O GLN A 14 7.956 -7.804 3.977 1.00 33.32 O ATOM 226 CB GLN A 14 6.327 -9.084 5.958 1.00 64.51 C ATOM 227 CG GLN A 14 6.096 -9.794 7.284 1.00 24.32 C ATOM 228 CD GLN A 14 5.547 -11.196 7.097 1.00 23.24 C ATOM 229 OE1 GLN A 14 4.237 -11.329 7.104 1.00 11.30 O flip ATOM 230 NE2 GLN A 14 6.298 -12.156 6.957 1.00 12.33 N flip ATOM 0 H GLN A 14 4.851 -6.982 6.400 1.00 50.40 H new ATOM 0 HA GLN A 14 7.709 -7.605 6.747 1.00 14.21 H new ATOM 0 HB2 GLN A 14 5.394 -9.077 5.394 1.00 64.51 H new ATOM 0 HB3 GLN A 14 7.049 -9.654 5.373 1.00 64.51 H new ATOM 0 HG2 GLN A 14 7.035 -9.844 7.835 1.00 24.32 H new ATOM 0 HG3 GLN A 14 5.401 -9.212 7.890 1.00 24.32 H new ATOM 0 HE21 GLN A 14 7.309 -12.017 6.956 1.00 12.33 H new ATOM 0 HE22 GLN A 14 5.912 -13.093 6.841 1.00 12.33 H new ATOM 239 N ILE A 15 6.857 -5.888 4.375 1.00 64.23 N ATOM 240 CA ILE A 15 7.218 -5.307 3.074 1.00 3.33 C ATOM 241 C ILE A 15 8.624 -4.662 3.119 1.00 24.32 C ATOM 242 O ILE A 15 8.851 -3.707 3.866 1.00 71.40 O ATOM 243 CB ILE A 15 6.184 -4.242 2.614 1.00 50.23 C ATOM 244 CG1 ILE A 15 4.746 -4.774 2.755 1.00 53.11 C ATOM 245 CG2 ILE A 15 6.451 -3.823 1.167 1.00 1.32 C ATOM 246 CD1 ILE A 15 4.450 -5.999 1.912 1.00 43.50 C ATOM 0 H ILE A 15 6.287 -5.283 4.967 1.00 64.23 H new ATOM 0 HA ILE A 15 7.221 -6.127 2.356 1.00 3.33 H new ATOM 0 HB ILE A 15 6.292 -3.369 3.258 1.00 50.23 H new ATOM 0 HG12 ILE A 15 4.561 -5.014 3.802 1.00 53.11 H new ATOM 0 HG13 ILE A 15 4.049 -3.982 2.481 1.00 53.11 H new ATOM 0 HG21 ILE A 15 5.717 -3.077 0.863 1.00 1.32 H new ATOM 0 HG22 ILE A 15 7.452 -3.399 1.090 1.00 1.32 H new ATOM 0 HG23 ILE A 15 6.374 -4.694 0.516 1.00 1.32 H new ATOM 0 HD11 ILE A 15 3.417 -6.309 2.070 1.00 43.50 H new ATOM 0 HD12 ILE A 15 4.600 -5.761 0.859 1.00 43.50 H new ATOM 0 HD13 ILE A 15 5.120 -6.809 2.200 1.00 43.50 H new ATOM 258 N PRO A 16 9.585 -5.170 2.316 1.00 4.21 N ATOM 259 CA PRO A 16 10.974 -4.649 2.285 1.00 41.02 C ATOM 260 C PRO A 16 11.063 -3.146 1.949 1.00 64.35 C ATOM 261 O PRO A 16 10.170 -2.581 1.314 1.00 73.12 O ATOM 262 CB PRO A 16 11.642 -5.486 1.182 1.00 44.42 C ATOM 263 CG PRO A 16 10.822 -6.729 1.101 1.00 52.30 C ATOM 264 CD PRO A 16 9.410 -6.302 1.386 1.00 4.04 C ATOM 0 HA PRO A 16 11.449 -4.733 3.263 1.00 41.02 H new ATOM 0 HB2 PRO A 16 11.649 -4.954 0.231 1.00 44.42 H new ATOM 0 HB3 PRO A 16 12.679 -5.711 1.429 1.00 44.42 H new ATOM 0 HG2 PRO A 16 10.901 -7.187 0.115 1.00 52.30 H new ATOM 0 HG3 PRO A 16 11.161 -7.470 1.825 1.00 52.30 H new ATOM 0 HD2 PRO A 16 8.889 -6.001 0.477 1.00 4.04 H new ATOM 0 HD3 PRO A 16 8.828 -7.107 1.835 1.00 4.04 H new ATOM 272 N LYS A 17 12.154 -2.501 2.359 1.00 2.11 N ATOM 273 CA LYS A 17 12.320 -1.061 2.167 1.00 63.42 C ATOM 274 C LYS A 17 12.526 -0.710 0.683 1.00 21.22 C ATOM 275 O LYS A 17 13.384 -1.282 0.010 1.00 21.03 O ATOM 276 CB LYS A 17 13.491 -0.562 3.031 1.00 12.35 C ATOM 277 CG LYS A 17 13.674 0.955 3.030 1.00 71.14 C ATOM 278 CD LYS A 17 14.595 1.433 1.912 1.00 4.44 C ATOM 279 CE LYS A 17 14.538 2.949 1.752 1.00 34.33 C ATOM 280 NZ LYS A 17 14.567 3.662 3.062 1.00 31.22 N ATOM 0 H LYS A 17 12.938 -2.954 2.828 1.00 2.11 H new ATOM 0 HA LYS A 17 11.407 -0.556 2.484 1.00 63.42 H new ATOM 0 HB2 LYS A 17 13.338 -0.897 4.057 1.00 12.35 H new ATOM 0 HB3 LYS A 17 14.411 -1.027 2.678 1.00 12.35 H new ATOM 0 HG2 LYS A 17 12.701 1.435 2.924 1.00 71.14 H new ATOM 0 HG3 LYS A 17 14.082 1.269 3.991 1.00 71.14 H new ATOM 0 HD2 LYS A 17 15.619 1.127 2.126 1.00 4.44 H new ATOM 0 HD3 LYS A 17 14.309 0.956 0.975 1.00 4.44 H new ATOM 0 HE2 LYS A 17 15.380 3.279 1.143 1.00 34.33 H new ATOM 0 HE3 LYS A 17 13.630 3.221 1.214 1.00 34.33 H new ATOM 0 HZ1 LYS A 17 14.976 4.609 2.933 1.00 31.22 H new ATOM 0 HZ2 LYS A 17 13.599 3.750 3.431 1.00 31.22 H new ATOM 0 HZ3 LYS A 17 15.147 3.124 3.737 1.00 31.22 H new ATOM 294 N GLY A 18 11.729 0.234 0.180 1.00 23.24 N ATOM 295 CA GLY A 18 11.823 0.635 -1.223 1.00 31.04 C ATOM 296 C GLY A 18 10.884 -0.145 -2.143 1.00 12.41 C ATOM 297 O GLY A 18 10.890 0.056 -3.356 1.00 2.15 O ATOM 0 H GLY A 18 11.018 0.730 0.717 1.00 23.24 H new ATOM 0 HA2 GLY A 18 11.599 1.699 -1.305 1.00 31.04 H new ATOM 0 HA3 GLY A 18 12.849 0.499 -1.564 1.00 31.04 H new ATOM 301 N LYS A 19 10.088 -1.048 -1.569 1.00 51.01 N ATOM 302 CA LYS A 19 9.105 -1.823 -2.338 1.00 71.13 C ATOM 303 C LYS A 19 7.684 -1.642 -1.778 1.00 23.45 C ATOM 304 O LYS A 19 7.502 -1.345 -0.594 1.00 5.13 O ATOM 305 CB LYS A 19 9.489 -3.313 -2.339 1.00 35.11 C ATOM 306 CG LYS A 19 10.812 -3.607 -3.043 1.00 55.14 C ATOM 307 CD LYS A 19 10.767 -3.192 -4.512 1.00 20.41 C ATOM 308 CE LYS A 19 12.091 -3.446 -5.225 1.00 2.05 C ATOM 309 NZ LYS A 19 13.199 -2.626 -4.666 1.00 42.31 N ATOM 0 H LYS A 19 10.103 -1.263 -0.572 1.00 51.01 H new ATOM 0 HA LYS A 19 9.111 -1.450 -3.362 1.00 71.13 H new ATOM 0 HB2 LYS A 19 9.550 -3.664 -1.309 1.00 35.11 H new ATOM 0 HB3 LYS A 19 8.696 -3.883 -2.823 1.00 35.11 H new ATOM 0 HG2 LYS A 19 11.620 -3.077 -2.538 1.00 55.14 H new ATOM 0 HG3 LYS A 19 11.035 -4.671 -2.971 1.00 55.14 H new ATOM 0 HD2 LYS A 19 9.973 -3.741 -5.018 1.00 20.41 H new ATOM 0 HD3 LYS A 19 10.517 -2.133 -4.581 1.00 20.41 H new ATOM 0 HE2 LYS A 19 12.348 -4.502 -5.145 1.00 2.05 H new ATOM 0 HE3 LYS A 19 11.978 -3.225 -6.286 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 14.033 -2.702 -5.283 1.00 42.31 H new ATOM 0 HZ2 LYS A 19 12.900 -1.631 -4.609 1.00 42.31 H new ATOM 0 HZ3 LYS A 19 13.440 -2.970 -3.715 1.00 42.31 H new ATOM 323 N VAL A 20 6.679 -1.823 -2.639 1.00 71.34 N ATOM 324 CA VAL A 20 5.271 -1.662 -2.244 1.00 33.42 C ATOM 325 C VAL A 20 4.424 -2.890 -2.627 1.00 63.34 C ATOM 326 O VAL A 20 4.910 -3.821 -3.272 1.00 74.20 O ATOM 327 CB VAL A 20 4.643 -0.397 -2.890 1.00 21.52 C ATOM 328 CG1 VAL A 20 5.344 0.869 -2.399 1.00 32.43 C ATOM 329 CG2 VAL A 20 4.687 -0.485 -4.416 1.00 74.11 C ATOM 0 H VAL A 20 6.811 -2.082 -3.617 1.00 71.34 H new ATOM 0 HA VAL A 20 5.268 -1.555 -1.159 1.00 33.42 H new ATOM 0 HB VAL A 20 3.598 -0.346 -2.585 1.00 21.52 H new ATOM 0 HG11 VAL A 20 4.887 1.742 -2.865 1.00 32.43 H new ATOM 0 HG12 VAL A 20 5.246 0.943 -1.316 1.00 32.43 H new ATOM 0 HG13 VAL A 20 6.400 0.827 -2.665 1.00 32.43 H new ATOM 0 HG21 VAL A 20 4.241 0.412 -4.845 1.00 74.11 H new ATOM 0 HG22 VAL A 20 5.722 -0.569 -4.746 1.00 74.11 H new ATOM 0 HG23 VAL A 20 4.128 -1.361 -4.746 1.00 74.11 H new ATOM 339 N SER A 21 3.152 -2.881 -2.227 1.00 2.12 N ATOM 340 CA SER A 21 2.222 -3.975 -2.553 1.00 32.25 C ATOM 341 C SER A 21 0.798 -3.441 -2.767 1.00 20.14 C ATOM 342 O SER A 21 0.553 -2.243 -2.644 1.00 34.40 O ATOM 343 CB SER A 21 2.223 -5.032 -1.438 1.00 42.55 C ATOM 344 OG SER A 21 1.333 -6.100 -1.735 1.00 33.03 O ATOM 0 H SER A 21 2.737 -2.130 -1.676 1.00 2.12 H new ATOM 0 HA SER A 21 2.561 -4.437 -3.480 1.00 32.25 H new ATOM 0 HB2 SER A 21 3.232 -5.423 -1.306 1.00 42.55 H new ATOM 0 HB3 SER A 21 1.935 -4.568 -0.495 1.00 42.55 H new ATOM 0 HG SER A 21 1.357 -6.757 -1.008 1.00 33.03 H new ATOM 350 N THR A 22 -0.140 -4.329 -3.090 1.00 3.32 N ATOM 351 CA THR A 22 -1.534 -3.926 -3.342 1.00 64.04 C ATOM 352 C THR A 22 -2.482 -4.454 -2.259 1.00 34.33 C ATOM 353 O THR A 22 -2.166 -5.417 -1.558 1.00 40.42 O ATOM 354 CB THR A 22 -2.050 -4.435 -4.709 1.00 54.11 C ATOM 355 OG1 THR A 22 -2.268 -5.852 -4.651 1.00 42.23 O ATOM 356 CG2 THR A 22 -1.063 -4.108 -5.830 1.00 54.13 C ATOM 0 H THR A 22 0.032 -5.330 -3.185 1.00 3.32 H new ATOM 0 HA THR A 22 -1.528 -2.836 -3.335 1.00 64.04 H new ATOM 0 HB THR A 22 -2.991 -3.929 -4.926 1.00 54.11 H new ATOM 0 HG1 THR A 22 -1.861 -6.278 -5.434 1.00 42.23 H new ATOM 0 HG21 THR A 22 -1.453 -4.478 -6.778 1.00 54.13 H new ATOM 0 HG22 THR A 22 -0.926 -3.028 -5.891 1.00 54.13 H new ATOM 0 HG23 THR A 22 -0.105 -4.584 -5.622 1.00 54.13 H new ATOM 364 N TYR A 23 -3.654 -3.826 -2.137 1.00 33.13 N ATOM 365 CA TYR A 23 -4.684 -4.276 -1.185 1.00 74.14 C ATOM 366 C TYR A 23 -5.056 -5.746 -1.433 1.00 32.44 C ATOM 367 O TYR A 23 -5.318 -6.501 -0.496 1.00 33.10 O ATOM 368 CB TYR A 23 -5.944 -3.403 -1.295 1.00 30.10 C ATOM 369 CG TYR A 23 -5.690 -1.912 -1.151 1.00 22.11 C ATOM 370 CD1 TYR A 23 -5.195 -1.379 0.033 1.00 42.22 C ATOM 371 CD2 TYR A 23 -5.937 -1.039 -2.207 1.00 40.50 C ATOM 372 CE1 TYR A 23 -4.955 -0.023 0.160 1.00 22.34 C ATOM 373 CE2 TYR A 23 -5.697 0.317 -2.087 1.00 52.40 C ATOM 374 CZ TYR A 23 -5.207 0.820 -0.903 1.00 54.11 C ATOM 375 OH TYR A 23 -4.965 2.169 -0.783 1.00 10.23 O ATOM 0 H TYR A 23 -3.917 -3.005 -2.683 1.00 33.13 H new ATOM 0 HA TYR A 23 -4.270 -4.181 -0.181 1.00 74.14 H new ATOM 0 HB2 TYR A 23 -6.415 -3.587 -2.260 1.00 30.10 H new ATOM 0 HB3 TYR A 23 -6.654 -3.714 -0.529 1.00 30.10 H new ATOM 0 HD1 TYR A 23 -4.994 -2.034 0.868 1.00 42.22 H new ATOM 0 HD2 TYR A 23 -6.323 -1.429 -3.137 1.00 40.50 H new ATOM 0 HE1 TYR A 23 -4.572 0.375 1.088 1.00 22.34 H new ATOM 0 HE2 TYR A 23 -5.893 0.978 -2.918 1.00 52.40 H new ATOM 0 HH TYR A 23 -4.003 2.320 -0.675 1.00 10.23 H new ATOM 385 N GLY A 24 -5.063 -6.139 -2.707 1.00 41.13 N ATOM 386 CA GLY A 24 -5.381 -7.513 -3.076 1.00 15.23 C ATOM 387 C GLY A 24 -4.312 -8.509 -2.642 1.00 31.54 C ATOM 388 O GLY A 24 -4.611 -9.488 -1.959 1.00 61.21 O ATOM 0 H GLY A 24 -4.853 -5.527 -3.495 1.00 41.13 H new ATOM 0 HA2 GLY A 24 -6.334 -7.793 -2.627 1.00 15.23 H new ATOM 0 HA3 GLY A 24 -5.508 -7.573 -4.157 1.00 15.23 H new ATOM 392 N GLU A 25 -3.064 -8.255 -3.036 1.00 64.33 N ATOM 393 CA GLU A 25 -1.934 -9.122 -2.663 1.00 31.10 C ATOM 394 C GLU A 25 -1.813 -9.277 -1.135 1.00 22.21 C ATOM 395 O GLU A 25 -1.571 -10.379 -0.634 1.00 0.24 O ATOM 396 CB GLU A 25 -0.620 -8.578 -3.262 1.00 15.55 C ATOM 397 CG GLU A 25 -0.287 -9.123 -4.655 1.00 21.14 C ATOM 398 CD GLU A 25 -1.416 -8.965 -5.668 1.00 74.00 C ATOM 399 OE1 GLU A 25 -1.507 -7.899 -6.312 1.00 34.43 O ATOM 400 OE2 GLU A 25 -2.218 -9.910 -5.829 1.00 45.05 O ATOM 0 H GLU A 25 -2.805 -7.456 -3.614 1.00 64.33 H new ATOM 0 HA GLU A 25 -2.125 -10.113 -3.076 1.00 31.10 H new ATOM 0 HB2 GLU A 25 -0.682 -7.491 -3.315 1.00 15.55 H new ATOM 0 HB3 GLU A 25 0.200 -8.818 -2.586 1.00 15.55 H new ATOM 0 HG2 GLU A 25 0.599 -8.613 -5.031 1.00 21.14 H new ATOM 0 HG3 GLU A 25 -0.034 -10.180 -4.570 1.00 21.14 H new ATOM 407 N ILE A 26 -1.986 -8.175 -0.401 1.00 52.24 N ATOM 408 CA ILE A 26 -1.967 -8.217 1.070 1.00 62.42 C ATOM 409 C ILE A 26 -3.071 -9.140 1.608 1.00 45.53 C ATOM 410 O ILE A 26 -2.825 -9.995 2.462 1.00 72.33 O ATOM 411 CB ILE A 26 -2.135 -6.799 1.682 1.00 71.11 C ATOM 412 CG1 ILE A 26 -0.947 -5.899 1.299 1.00 11.45 C ATOM 413 CG2 ILE A 26 -2.289 -6.868 3.205 1.00 62.44 C ATOM 414 CD1 ILE A 26 0.395 -6.396 1.807 1.00 52.33 C ATOM 0 H ILE A 26 -2.140 -7.247 -0.794 1.00 52.24 H new ATOM 0 HA ILE A 26 -0.995 -8.611 1.366 1.00 62.42 H new ATOM 0 HB ILE A 26 -3.046 -6.363 1.272 1.00 71.11 H new ATOM 0 HG12 ILE A 26 -0.904 -5.815 0.213 1.00 11.45 H new ATOM 0 HG13 ILE A 26 -1.123 -4.897 1.690 1.00 11.45 H new ATOM 0 HG21 ILE A 26 -2.405 -5.861 3.605 1.00 62.44 H new ATOM 0 HG22 ILE A 26 -3.169 -7.461 3.455 1.00 62.44 H new ATOM 0 HG23 ILE A 26 -1.403 -7.331 3.640 1.00 62.44 H new ATOM 0 HD11 ILE A 26 1.180 -5.707 1.495 1.00 52.33 H new ATOM 0 HD12 ILE A 26 0.374 -6.453 2.895 1.00 52.33 H new ATOM 0 HD13 ILE A 26 0.596 -7.385 1.396 1.00 52.33 H new ATOM 426 N ALA A 27 -4.285 -8.967 1.090 1.00 24.55 N ATOM 427 CA ALA A 27 -5.428 -9.795 1.489 1.00 1.50 C ATOM 428 C ALA A 27 -5.188 -11.287 1.182 1.00 34.35 C ATOM 429 O ALA A 27 -5.457 -12.155 2.016 1.00 63.25 O ATOM 430 CB ALA A 27 -6.695 -9.307 0.796 1.00 45.21 C ATOM 0 H ALA A 27 -4.506 -8.259 0.390 1.00 24.55 H new ATOM 0 HA ALA A 27 -5.549 -9.698 2.568 1.00 1.50 H new ATOM 0 HB1 ALA A 27 -7.538 -9.928 1.099 1.00 45.21 H new ATOM 0 HB2 ALA A 27 -6.888 -8.272 1.077 1.00 45.21 H new ATOM 0 HB3 ALA A 27 -6.567 -9.371 -0.284 1.00 45.21 H new ATOM 436 N LYS A 28 -4.677 -11.576 -0.016 1.00 73.33 N ATOM 437 CA LYS A 28 -4.367 -12.955 -0.426 1.00 74.43 C ATOM 438 C LYS A 28 -3.383 -13.624 0.545 1.00 31.22 C ATOM 439 O LYS A 28 -3.639 -14.720 1.047 1.00 23.33 O ATOM 440 CB LYS A 28 -3.773 -12.974 -1.841 1.00 12.14 C ATOM 441 CG LYS A 28 -4.713 -12.451 -2.918 1.00 53.20 C ATOM 442 CD LYS A 28 -4.018 -12.388 -4.274 1.00 32.11 C ATOM 443 CE LYS A 28 -4.918 -11.791 -5.346 1.00 43.53 C ATOM 444 NZ LYS A 28 -4.212 -11.663 -6.648 1.00 12.54 N ATOM 0 H LYS A 28 -4.467 -10.873 -0.725 1.00 73.33 H new ATOM 0 HA LYS A 28 -5.302 -13.515 -0.413 1.00 74.43 H new ATOM 0 HB2 LYS A 28 -2.861 -12.377 -1.849 1.00 12.14 H new ATOM 0 HB3 LYS A 28 -3.486 -13.996 -2.089 1.00 12.14 H new ATOM 0 HG2 LYS A 28 -5.589 -13.097 -2.985 1.00 53.20 H new ATOM 0 HG3 LYS A 28 -5.069 -11.458 -2.643 1.00 53.20 H new ATOM 0 HD2 LYS A 28 -3.110 -11.791 -4.189 1.00 32.11 H new ATOM 0 HD3 LYS A 28 -3.714 -13.391 -4.573 1.00 32.11 H new ATOM 0 HE2 LYS A 28 -5.801 -12.418 -5.471 1.00 43.53 H new ATOM 0 HE3 LYS A 28 -5.267 -10.810 -5.023 1.00 43.53 H new ATOM 0 HZ1 LYS A 28 -4.883 -11.349 -7.378 1.00 12.54 H new ATOM 0 HZ2 LYS A 28 -3.445 -10.966 -6.560 1.00 12.54 H new ATOM 0 HZ3 LYS A 28 -3.813 -12.584 -6.919 1.00 12.54 H new ATOM 458 N MET A 29 -2.264 -12.951 0.807 1.00 43.22 N ATOM 459 CA MET A 29 -1.231 -13.480 1.705 1.00 23.21 C ATOM 460 C MET A 29 -1.731 -13.582 3.160 1.00 24.44 C ATOM 461 O MET A 29 -1.173 -14.329 3.964 1.00 70.52 O ATOM 462 CB MET A 29 0.030 -12.606 1.626 1.00 11.23 C ATOM 463 CG MET A 29 0.727 -12.668 0.272 1.00 13.25 C ATOM 464 SD MET A 29 2.182 -11.601 0.173 1.00 11.24 S ATOM 465 CE MET A 29 1.430 -9.976 0.254 1.00 31.33 C ATOM 0 H MET A 29 -2.046 -12.037 0.411 1.00 43.22 H new ATOM 0 HA MET A 29 -0.988 -14.491 1.377 1.00 23.21 H new ATOM 0 HB2 MET A 29 -0.240 -11.572 1.840 1.00 11.23 H new ATOM 0 HB3 MET A 29 0.729 -12.920 2.401 1.00 11.23 H new ATOM 0 HG2 MET A 29 1.024 -13.697 0.070 1.00 13.25 H new ATOM 0 HG3 MET A 29 0.020 -12.382 -0.507 1.00 13.25 H new ATOM 0 HE1 MET A 29 1.536 -9.478 -0.710 1.00 31.33 H new ATOM 0 HE2 MET A 29 0.372 -10.076 0.497 1.00 31.33 H new ATOM 0 HE3 MET A 29 1.924 -9.384 1.024 1.00 31.33 H new ATOM 475 N ALA A 30 -2.779 -12.827 3.487 1.00 61.53 N ATOM 476 CA ALA A 30 -3.419 -12.913 4.804 1.00 62.31 C ATOM 477 C ALA A 30 -4.429 -14.069 4.861 1.00 32.41 C ATOM 478 O ALA A 30 -4.773 -14.555 5.939 1.00 52.54 O ATOM 479 CB ALA A 30 -4.104 -11.593 5.137 1.00 74.45 C ATOM 0 H ALA A 30 -3.206 -12.147 2.858 1.00 61.53 H new ATOM 0 HA ALA A 30 -2.645 -13.112 5.545 1.00 62.31 H new ATOM 0 HB1 ALA A 30 -4.577 -11.665 6.116 1.00 74.45 H new ATOM 0 HB2 ALA A 30 -3.365 -10.792 5.149 1.00 74.45 H new ATOM 0 HB3 ALA A 30 -4.861 -11.376 4.384 1.00 74.45 H new ATOM 485 N GLY A 31 -4.898 -14.509 3.693 1.00 52.11 N ATOM 486 CA GLY A 31 -5.872 -15.598 3.627 1.00 61.50 C ATOM 487 C GLY A 31 -7.307 -15.119 3.438 1.00 4.33 C ATOM 488 O GLY A 31 -8.258 -15.866 3.676 1.00 4.35 O ATOM 0 H GLY A 31 -4.622 -14.131 2.787 1.00 52.11 H new ATOM 0 HA2 GLY A 31 -5.608 -16.262 2.804 1.00 61.50 H new ATOM 0 HA3 GLY A 31 -5.811 -16.186 4.543 1.00 61.50 H new ATOM 492 N TYR A 32 -7.468 -13.871 3.006 1.00 13.44 N ATOM 493 CA TYR A 32 -8.795 -13.295 2.752 1.00 74.13 C ATOM 494 C TYR A 32 -8.918 -12.804 1.295 1.00 52.42 C ATOM 495 O TYR A 32 -8.666 -11.636 0.996 1.00 34.10 O ATOM 496 CB TYR A 32 -9.069 -12.141 3.728 1.00 61.02 C ATOM 497 CG TYR A 32 -9.096 -12.564 5.185 1.00 5.34 C ATOM 498 CD1 TYR A 32 -10.273 -13.007 5.780 1.00 11.10 C ATOM 499 CD2 TYR A 32 -7.945 -12.520 5.968 1.00 11.23 C ATOM 500 CE1 TYR A 32 -10.302 -13.392 7.108 1.00 13.14 C ATOM 501 CE2 TYR A 32 -7.968 -12.903 7.294 1.00 3.45 C ATOM 502 CZ TYR A 32 -9.147 -13.338 7.859 1.00 75.12 C ATOM 503 OH TYR A 32 -9.169 -13.718 9.185 1.00 44.02 O ATOM 0 H TYR A 32 -6.694 -13.232 2.822 1.00 13.44 H new ATOM 0 HA TYR A 32 -9.539 -14.076 2.909 1.00 74.13 H new ATOM 0 HB2 TYR A 32 -8.304 -11.376 3.596 1.00 61.02 H new ATOM 0 HB3 TYR A 32 -10.025 -11.683 3.475 1.00 61.02 H new ATOM 0 HD1 TYR A 32 -11.180 -13.051 5.195 1.00 11.10 H new ATOM 0 HD2 TYR A 32 -7.018 -12.180 5.530 1.00 11.23 H new ATOM 0 HE1 TYR A 32 -11.224 -13.733 7.554 1.00 13.14 H new ATOM 0 HE2 TYR A 32 -7.066 -12.862 7.886 1.00 3.45 H new ATOM 0 HH TYR A 32 -8.272 -13.621 9.568 1.00 44.02 H new ATOM 513 N PRO A 33 -9.304 -13.697 0.365 1.00 63.10 N ATOM 514 CA PRO A 33 -9.394 -13.366 -1.068 1.00 22.13 C ATOM 515 C PRO A 33 -10.613 -12.489 -1.412 1.00 42.41 C ATOM 516 O PRO A 33 -11.734 -12.759 -0.974 1.00 25.54 O ATOM 517 CB PRO A 33 -9.515 -14.744 -1.729 1.00 60.21 C ATOM 518 CG PRO A 33 -10.185 -15.592 -0.701 1.00 0.22 C ATOM 519 CD PRO A 33 -9.683 -15.100 0.631 1.00 64.23 C ATOM 0 HA PRO A 33 -8.539 -12.780 -1.404 1.00 22.13 H new ATOM 0 HB2 PRO A 33 -10.101 -14.694 -2.646 1.00 60.21 H new ATOM 0 HB3 PRO A 33 -8.537 -15.143 -1.997 1.00 60.21 H new ATOM 0 HG2 PRO A 33 -11.269 -15.502 -0.767 1.00 0.22 H new ATOM 0 HG3 PRO A 33 -9.943 -16.645 -0.845 1.00 0.22 H new ATOM 0 HD2 PRO A 33 -10.453 -15.168 1.399 1.00 64.23 H new ATOM 0 HD3 PRO A 33 -8.832 -15.686 0.980 1.00 64.23 H new ATOM 527 N GLY A 34 -10.388 -11.444 -2.209 1.00 30.13 N ATOM 528 CA GLY A 34 -11.476 -10.559 -2.616 1.00 53.35 C ATOM 529 C GLY A 34 -11.670 -9.357 -1.692 1.00 30.45 C ATOM 530 O GLY A 34 -12.401 -8.424 -2.028 1.00 70.13 O ATOM 0 H GLY A 34 -9.472 -11.193 -2.581 1.00 30.13 H new ATOM 0 HA2 GLY A 34 -11.282 -10.201 -3.627 1.00 53.35 H new ATOM 0 HA3 GLY A 34 -12.403 -11.131 -2.653 1.00 53.35 H new ATOM 534 N TYR A 35 -11.005 -9.367 -0.538 1.00 10.01 N ATOM 535 CA TYR A 35 -11.135 -8.281 0.445 1.00 43.25 C ATOM 536 C TYR A 35 -10.238 -7.072 0.115 1.00 24.40 C ATOM 537 O TYR A 35 -9.924 -6.271 0.995 1.00 34.33 O ATOM 538 CB TYR A 35 -10.812 -8.806 1.850 1.00 71.20 C ATOM 539 CG TYR A 35 -11.900 -9.689 2.440 1.00 52.45 C ATOM 540 CD1 TYR A 35 -11.998 -11.036 2.109 1.00 74.23 C ATOM 541 CD2 TYR A 35 -12.825 -9.169 3.339 1.00 25.43 C ATOM 542 CE1 TYR A 35 -12.985 -11.836 2.655 1.00 35.31 C ATOM 543 CE2 TYR A 35 -13.814 -9.962 3.887 1.00 24.54 C ATOM 544 CZ TYR A 35 -13.889 -11.294 3.545 1.00 64.24 C ATOM 545 OH TYR A 35 -14.875 -12.083 4.094 1.00 52.33 O ATOM 0 H TYR A 35 -10.369 -10.113 -0.256 1.00 10.01 H new ATOM 0 HA TYR A 35 -12.168 -7.934 0.406 1.00 43.25 H new ATOM 0 HB2 TYR A 35 -9.880 -9.370 1.812 1.00 71.20 H new ATOM 0 HB3 TYR A 35 -10.644 -7.959 2.515 1.00 71.20 H new ATOM 0 HD1 TYR A 35 -11.291 -11.465 1.414 1.00 74.23 H new ATOM 0 HD2 TYR A 35 -12.769 -8.126 3.614 1.00 25.43 H new ATOM 0 HE1 TYR A 35 -13.048 -12.880 2.386 1.00 35.31 H new ATOM 0 HE2 TYR A 35 -14.526 -9.539 4.581 1.00 24.54 H new ATOM 0 HH TYR A 35 -15.425 -11.545 4.701 1.00 52.33 H new ATOM 555 N ALA A 36 -9.862 -6.925 -1.154 1.00 70.33 N ATOM 556 CA ALA A 36 -9.020 -5.804 -1.594 1.00 64.24 C ATOM 557 C ALA A 36 -9.650 -4.447 -1.235 1.00 13.31 C ATOM 558 O ALA A 36 -9.004 -3.583 -0.635 1.00 71.22 O ATOM 559 CB ALA A 36 -8.771 -5.898 -3.097 1.00 44.01 C ATOM 0 H ALA A 36 -10.126 -7.568 -1.901 1.00 70.33 H new ATOM 0 HA ALA A 36 -8.067 -5.871 -1.069 1.00 64.24 H new ATOM 0 HB1 ALA A 36 -8.146 -5.063 -3.415 1.00 44.01 H new ATOM 0 HB2 ALA A 36 -8.266 -6.837 -3.324 1.00 44.01 H new ATOM 0 HB3 ALA A 36 -9.723 -5.861 -3.627 1.00 44.01 H new ATOM 565 N ARG A 37 -10.915 -4.263 -1.607 1.00 1.31 N ATOM 566 CA ARG A 37 -11.651 -3.034 -1.278 1.00 32.04 C ATOM 567 C ARG A 37 -11.753 -2.824 0.248 1.00 32.04 C ATOM 568 O ARG A 37 -11.642 -1.699 0.740 1.00 73.14 O ATOM 569 CB ARG A 37 -13.053 -3.080 -1.904 1.00 23.44 C ATOM 570 CG ARG A 37 -13.913 -4.243 -1.414 1.00 54.42 C ATOM 571 CD ARG A 37 -15.245 -4.325 -2.153 1.00 53.35 C ATOM 572 NE ARG A 37 -16.085 -3.143 -1.945 1.00 71.13 N ATOM 573 CZ ARG A 37 -17.379 -3.123 -2.137 1.00 21.12 C ATOM 574 NH1 ARG A 37 -18.005 -4.198 -2.500 1.00 72.53 N ATOM 575 NH2 ARG A 37 -18.049 -2.030 -1.953 1.00 61.41 N ATOM 0 H ARG A 37 -11.456 -4.947 -2.137 1.00 1.31 H new ATOM 0 HA ARG A 37 -11.098 -2.190 -1.691 1.00 32.04 H new ATOM 0 HB2 ARG A 37 -13.568 -2.144 -1.687 1.00 23.44 H new ATOM 0 HB3 ARG A 37 -12.954 -3.146 -2.988 1.00 23.44 H new ATOM 0 HG2 ARG A 37 -13.368 -5.177 -1.547 1.00 54.42 H new ATOM 0 HG3 ARG A 37 -14.098 -4.131 -0.346 1.00 54.42 H new ATOM 0 HD2 ARG A 37 -15.056 -4.447 -3.220 1.00 53.35 H new ATOM 0 HD3 ARG A 37 -15.785 -5.212 -1.821 1.00 53.35 H new ATOM 0 HE ARG A 37 -15.634 -2.284 -1.632 1.00 71.13 H new ATOM 0 HH11 ARG A 37 -17.489 -5.067 -2.638 1.00 72.53 H new ATOM 0 HH12 ARG A 37 -19.014 -4.175 -2.648 1.00 72.53 H new ATOM 0 HH21 ARG A 37 -17.568 -1.181 -1.657 1.00 61.41 H new ATOM 0 HH22 ARG A 37 -19.058 -2.019 -2.104 1.00 61.41 H new ATOM 589 N HIS A 38 -11.955 -3.917 0.985 1.00 43.52 N ATOM 590 CA HIS A 38 -12.059 -3.868 2.447 1.00 33.43 C ATOM 591 C HIS A 38 -10.747 -3.385 3.087 1.00 52.21 C ATOM 592 O HIS A 38 -10.751 -2.492 3.934 1.00 14.42 O ATOM 593 CB HIS A 38 -12.434 -5.253 2.985 1.00 24.22 C ATOM 594 CG HIS A 38 -13.678 -5.814 2.364 1.00 50.44 C ATOM 595 ND1 HIS A 38 -13.633 -6.542 1.200 1.00 51.03 N ATOM 596 CD2 HIS A 38 -14.964 -5.733 2.780 1.00 60.42 C ATOM 597 CE1 HIS A 38 -14.880 -6.886 0.936 1.00 53.02 C ATOM 598 NE2 HIS A 38 -15.722 -6.419 1.865 1.00 13.05 N ATOM 0 H HIS A 38 -12.051 -4.853 0.592 1.00 43.52 H new ATOM 0 HA HIS A 38 -12.839 -3.153 2.710 1.00 33.43 H new ATOM 0 HB2 HIS A 38 -11.606 -5.940 2.808 1.00 24.22 H new ATOM 0 HB3 HIS A 38 -12.571 -5.191 4.065 1.00 24.22 H new ATOM 0 HD2 HIS A 38 -15.324 -5.226 3.663 1.00 60.42 H new ATOM 0 HE1 HIS A 38 -15.182 -7.470 0.079 1.00 53.02 H new ATOM 0 HE2 HIS A 38 -16.734 -6.548 1.888 1.00 13.05 H new ATOM 606 N VAL A 39 -9.623 -3.978 2.671 1.00 33.04 N ATOM 607 CA VAL A 39 -8.300 -3.569 3.162 1.00 43.05 C ATOM 608 C VAL A 39 -8.042 -2.081 2.883 1.00 11.32 C ATOM 609 O VAL A 39 -7.547 -1.353 3.746 1.00 25.15 O ATOM 610 CB VAL A 39 -7.167 -4.417 2.522 1.00 44.35 C ATOM 611 CG1 VAL A 39 -5.789 -3.958 3.008 1.00 55.03 C ATOM 612 CG2 VAL A 39 -7.377 -5.902 2.817 1.00 71.40 C ATOM 0 H VAL A 39 -9.601 -4.742 1.996 1.00 33.04 H new ATOM 0 HA VAL A 39 -8.297 -3.737 4.239 1.00 43.05 H new ATOM 0 HB VAL A 39 -7.205 -4.270 1.443 1.00 44.35 H new ATOM 0 HG11 VAL A 39 -5.017 -4.570 2.543 1.00 55.03 H new ATOM 0 HG12 VAL A 39 -5.637 -2.913 2.736 1.00 55.03 H new ATOM 0 HG13 VAL A 39 -5.732 -4.063 4.091 1.00 55.03 H new ATOM 0 HG21 VAL A 39 -6.574 -6.481 2.361 1.00 71.40 H new ATOM 0 HG22 VAL A 39 -7.373 -6.063 3.895 1.00 71.40 H new ATOM 0 HG23 VAL A 39 -8.334 -6.223 2.406 1.00 71.40 H new ATOM 622 N GLY A 40 -8.392 -1.635 1.676 1.00 44.13 N ATOM 623 CA GLY A 40 -8.257 -0.225 1.325 1.00 70.54 C ATOM 624 C GLY A 40 -9.054 0.697 2.242 1.00 63.34 C ATOM 625 O GLY A 40 -8.539 1.711 2.724 1.00 60.40 O ATOM 0 H GLY A 40 -8.767 -2.225 0.933 1.00 44.13 H new ATOM 0 HA2 GLY A 40 -7.204 0.054 1.364 1.00 70.54 H new ATOM 0 HA3 GLY A 40 -8.587 -0.079 0.296 1.00 70.54 H new ATOM 629 N LYS A 41 -10.311 0.341 2.491 1.00 70.23 N ATOM 630 CA LYS A 41 -11.177 1.119 3.384 1.00 45.21 C ATOM 631 C LYS A 41 -10.661 1.083 4.838 1.00 52.43 C ATOM 632 O LYS A 41 -10.759 2.070 5.571 1.00 54.22 O ATOM 633 CB LYS A 41 -12.615 0.577 3.311 1.00 64.41 C ATOM 634 CG LYS A 41 -13.632 1.379 4.125 1.00 23.15 C ATOM 635 CD LYS A 41 -13.752 2.822 3.632 1.00 54.40 C ATOM 636 CE LYS A 41 -14.789 3.608 4.426 1.00 3.01 C ATOM 637 NZ LYS A 41 -14.895 5.014 3.955 1.00 32.52 N ATOM 0 H LYS A 41 -10.757 -0.483 2.088 1.00 70.23 H new ATOM 0 HA LYS A 41 -11.165 2.158 3.056 1.00 45.21 H new ATOM 0 HB2 LYS A 41 -12.933 0.562 2.268 1.00 64.41 H new ATOM 0 HB3 LYS A 41 -12.620 -0.455 3.661 1.00 64.41 H new ATOM 0 HG2 LYS A 41 -14.606 0.894 4.067 1.00 23.15 H new ATOM 0 HG3 LYS A 41 -13.338 1.378 5.175 1.00 23.15 H new ATOM 0 HD2 LYS A 41 -12.783 3.315 3.712 1.00 54.40 H new ATOM 0 HD3 LYS A 41 -14.025 2.824 2.577 1.00 54.40 H new ATOM 0 HE2 LYS A 41 -15.760 3.121 4.338 1.00 3.01 H new ATOM 0 HE3 LYS A 41 -14.522 3.598 5.483 1.00 3.01 H new ATOM 0 HZ1 LYS A 41 -15.610 5.516 4.519 1.00 32.52 H new ATOM 0 HZ2 LYS A 41 -13.975 5.486 4.063 1.00 32.52 H new ATOM 0 HZ3 LYS A 41 -15.174 5.024 2.953 1.00 32.52 H new ATOM 651 N ALA A 42 -10.106 -0.059 5.240 1.00 62.02 N ATOM 652 CA ALA A 42 -9.561 -0.232 6.593 1.00 43.54 C ATOM 653 C ALA A 42 -8.317 0.638 6.824 1.00 31.23 C ATOM 654 O ALA A 42 -8.216 1.341 7.832 1.00 2.35 O ATOM 655 CB ALA A 42 -9.237 -1.702 6.837 1.00 52.21 C ATOM 0 H ALA A 42 -10.020 -0.885 4.647 1.00 62.02 H new ATOM 0 HA ALA A 42 -10.320 0.094 7.304 1.00 43.54 H new ATOM 0 HB1 ALA A 42 -8.833 -1.824 7.842 1.00 52.21 H new ATOM 0 HB2 ALA A 42 -10.145 -2.296 6.736 1.00 52.21 H new ATOM 0 HB3 ALA A 42 -8.501 -2.038 6.107 1.00 52.21 H new ATOM 661 N LEU A 43 -7.371 0.596 5.884 1.00 53.13 N ATOM 662 CA LEU A 43 -6.145 1.399 5.986 1.00 65.31 C ATOM 663 C LEU A 43 -6.460 2.903 5.958 1.00 53.24 C ATOM 664 O LEU A 43 -5.788 3.701 6.611 1.00 62.32 O ATOM 665 CB LEU A 43 -5.170 1.039 4.856 1.00 73.45 C ATOM 666 CG LEU A 43 -4.649 -0.407 4.884 1.00 74.10 C ATOM 667 CD1 LEU A 43 -3.683 -0.652 3.732 1.00 54.53 C ATOM 668 CD2 LEU A 43 -3.988 -0.718 6.225 1.00 13.03 C ATOM 0 H LEU A 43 -7.427 0.018 5.046 1.00 53.13 H new ATOM 0 HA LEU A 43 -5.675 1.170 6.943 1.00 65.31 H new ATOM 0 HB2 LEU A 43 -5.665 1.213 3.900 1.00 73.45 H new ATOM 0 HB3 LEU A 43 -4.318 1.717 4.902 1.00 73.45 H new ATOM 0 HG LEU A 43 -5.498 -1.079 4.763 1.00 74.10 H new ATOM 0 HD11 LEU A 43 -3.326 -1.681 3.770 1.00 54.53 H new ATOM 0 HD12 LEU A 43 -4.195 -0.480 2.785 1.00 54.53 H new ATOM 0 HD13 LEU A 43 -2.836 0.029 3.816 1.00 54.53 H new ATOM 0 HD21 LEU A 43 -3.627 -1.746 6.223 1.00 13.03 H new ATOM 0 HD22 LEU A 43 -3.150 -0.039 6.384 1.00 13.03 H new ATOM 0 HD23 LEU A 43 -4.715 -0.591 7.027 1.00 13.03 H new ATOM 680 N GLY A 44 -7.502 3.278 5.212 1.00 4.50 N ATOM 681 CA GLY A 44 -7.936 4.676 5.161 1.00 43.01 C ATOM 682 C GLY A 44 -8.491 5.195 6.492 1.00 23.12 C ATOM 683 O GLY A 44 -8.841 6.373 6.612 1.00 65.22 O ATOM 0 H GLY A 44 -8.056 2.640 4.640 1.00 4.50 H new ATOM 0 HA2 GLY A 44 -7.093 5.299 4.861 1.00 43.01 H new ATOM 0 HA3 GLY A 44 -8.701 4.782 4.392 1.00 43.01 H new ATOM 687 N ASN A 45 -8.591 4.313 7.486 1.00 53.53 N ATOM 688 CA ASN A 45 -9.029 4.693 8.835 1.00 15.20 C ATOM 689 C ASN A 45 -7.844 5.214 9.669 1.00 51.33 C ATOM 690 O ASN A 45 -8.029 5.861 10.700 1.00 44.30 O ATOM 691 CB ASN A 45 -9.678 3.484 9.532 1.00 43.34 C ATOM 692 CG ASN A 45 -10.329 3.837 10.859 1.00 43.01 C ATOM 693 OD1 ASN A 45 -11.510 4.169 10.917 1.00 1.30 O ATOM 694 ND2 ASN A 45 -9.572 3.765 11.937 1.00 65.33 N ATOM 0 H ASN A 45 -8.373 3.322 7.384 1.00 53.53 H new ATOM 0 HA ASN A 45 -9.763 5.495 8.749 1.00 15.20 H new ATOM 0 HB2 ASN A 45 -10.428 3.051 8.870 1.00 43.34 H new ATOM 0 HB3 ASN A 45 -8.920 2.719 9.699 1.00 43.34 H new ATOM 0 HD21 ASN A 45 -9.964 3.988 12.852 1.00 65.33 H new ATOM 0 HD22 ASN A 45 -8.594 3.486 11.856 1.00 65.33 H new ATOM 701 N LEU A 46 -6.629 4.933 9.210 1.00 2.51 N ATOM 702 CA LEU A 46 -5.414 5.305 9.941 1.00 24.34 C ATOM 703 C LEU A 46 -5.048 6.788 9.736 1.00 44.04 C ATOM 704 O LEU A 46 -5.448 7.409 8.750 1.00 41.12 O ATOM 705 CB LEU A 46 -4.255 4.399 9.501 1.00 0.12 C ATOM 706 CG LEU A 46 -4.452 2.902 9.799 1.00 4.24 C ATOM 707 CD1 LEU A 46 -3.264 2.085 9.296 1.00 31.21 C ATOM 708 CD2 LEU A 46 -4.670 2.674 11.296 1.00 45.00 C ATOM 0 H LEU A 46 -6.455 4.446 8.331 1.00 2.51 H new ATOM 0 HA LEU A 46 -5.604 5.168 11.006 1.00 24.34 H new ATOM 0 HB2 LEU A 46 -4.103 4.524 8.429 1.00 0.12 H new ATOM 0 HB3 LEU A 46 -3.343 4.736 9.994 1.00 0.12 H new ATOM 0 HG LEU A 46 -5.342 2.565 9.268 1.00 4.24 H new ATOM 0 HD11 LEU A 46 -3.427 1.031 9.519 1.00 31.21 H new ATOM 0 HD12 LEU A 46 -3.162 2.217 8.219 1.00 31.21 H new ATOM 0 HD13 LEU A 46 -2.354 2.424 9.791 1.00 31.21 H new ATOM 0 HD21 LEU A 46 -4.807 1.609 11.486 1.00 45.00 H new ATOM 0 HD22 LEU A 46 -3.802 3.032 11.849 1.00 45.00 H new ATOM 0 HD23 LEU A 46 -5.557 3.218 11.622 1.00 45.00 H new ATOM 720 N PRO A 47 -4.294 7.383 10.689 1.00 34.01 N ATOM 721 CA PRO A 47 -3.858 8.788 10.606 1.00 54.35 C ATOM 722 C PRO A 47 -2.622 8.997 9.707 1.00 71.13 C ATOM 723 O PRO A 47 -2.242 8.114 8.935 1.00 23.03 O ATOM 724 CB PRO A 47 -3.533 9.118 12.066 1.00 74.21 C ATOM 725 CG PRO A 47 -3.051 7.825 12.640 1.00 61.03 C ATOM 726 CD PRO A 47 -3.819 6.736 11.932 1.00 54.11 C ATOM 0 HA PRO A 47 -4.618 9.426 10.154 1.00 54.35 H new ATOM 0 HB2 PRO A 47 -2.771 9.894 12.138 1.00 74.21 H new ATOM 0 HB3 PRO A 47 -4.412 9.485 12.596 1.00 74.21 H new ATOM 0 HG2 PRO A 47 -1.978 7.707 12.487 1.00 61.03 H new ATOM 0 HG3 PRO A 47 -3.225 7.788 13.715 1.00 61.03 H new ATOM 0 HD2 PRO A 47 -3.185 5.876 11.717 1.00 54.11 H new ATOM 0 HD3 PRO A 47 -4.651 6.376 12.537 1.00 54.11 H new ATOM 734 N GLU A 48 -2.001 10.177 9.831 1.00 71.21 N ATOM 735 CA GLU A 48 -0.844 10.568 9.006 1.00 61.45 C ATOM 736 C GLU A 48 0.206 9.448 8.882 1.00 53.05 C ATOM 737 O GLU A 48 0.512 8.989 7.778 1.00 11.24 O ATOM 738 CB GLU A 48 -0.188 11.828 9.590 1.00 54.15 C ATOM 739 CG GLU A 48 -1.091 13.060 9.594 1.00 42.00 C ATOM 740 CD GLU A 48 -1.448 13.536 8.193 1.00 63.40 C ATOM 741 OE1 GLU A 48 -0.639 14.272 7.586 1.00 35.04 O ATOM 742 OE2 GLU A 48 -2.531 13.173 7.690 1.00 13.31 O ATOM 0 H GLU A 48 -2.284 10.889 10.504 1.00 71.21 H new ATOM 0 HA GLU A 48 -1.222 10.769 8.003 1.00 61.45 H new ATOM 0 HB2 GLU A 48 0.127 11.619 10.612 1.00 54.15 H new ATOM 0 HB3 GLU A 48 0.712 12.053 9.019 1.00 54.15 H new ATOM 0 HG2 GLU A 48 -2.007 12.831 10.139 1.00 42.00 H new ATOM 0 HG3 GLU A 48 -0.593 13.867 10.131 1.00 42.00 H new ATOM 749 N GLY A 49 0.754 9.011 10.012 1.00 65.52 N ATOM 750 CA GLY A 49 1.783 7.976 9.993 1.00 4.50 C ATOM 751 C GLY A 49 1.879 7.199 11.301 1.00 73.22 C ATOM 752 O GLY A 49 2.784 7.427 12.105 1.00 13.31 O ATOM 0 H GLY A 49 0.507 9.352 10.941 1.00 65.52 H new ATOM 0 HA2 GLY A 49 1.575 7.281 9.180 1.00 4.50 H new ATOM 0 HA3 GLY A 49 2.748 8.436 9.780 1.00 4.50 H new ATOM 756 N SER A 50 0.944 6.275 11.517 1.00 4.10 N ATOM 757 CA SER A 50 0.959 5.424 12.720 1.00 52.50 C ATOM 758 C SER A 50 2.081 4.378 12.649 1.00 42.40 C ATOM 759 O SER A 50 2.776 4.264 11.639 1.00 71.24 O ATOM 760 CB SER A 50 -0.393 4.718 12.908 1.00 60.44 C ATOM 761 OG SER A 50 -0.374 3.869 14.048 1.00 54.14 O ATOM 0 H SER A 50 0.167 6.092 10.882 1.00 4.10 H new ATOM 0 HA SER A 50 1.143 6.074 13.575 1.00 52.50 H new ATOM 0 HB2 SER A 50 -1.183 5.461 13.018 1.00 60.44 H new ATOM 0 HB3 SER A 50 -0.628 4.133 12.019 1.00 60.44 H new ATOM 0 HG SER A 50 -1.246 3.433 14.146 1.00 54.14 H new ATOM 767 N LYS A 51 2.237 3.599 13.720 1.00 61.42 N ATOM 768 CA LYS A 51 3.290 2.575 13.792 1.00 2.34 C ATOM 769 C LYS A 51 3.111 1.509 12.698 1.00 71.14 C ATOM 770 O LYS A 51 4.063 0.822 12.322 1.00 20.15 O ATOM 771 CB LYS A 51 3.300 1.925 15.184 1.00 12.14 C ATOM 772 CG LYS A 51 3.534 2.925 16.317 1.00 23.14 C ATOM 773 CD LYS A 51 3.654 2.259 17.693 1.00 2.13 C ATOM 774 CE LYS A 51 2.333 1.667 18.185 1.00 71.22 C ATOM 775 NZ LYS A 51 1.978 0.397 17.492 1.00 13.22 N ATOM 0 H LYS A 51 1.649 3.655 14.552 1.00 61.42 H new ATOM 0 HA LYS A 51 4.250 3.063 13.623 1.00 2.34 H new ATOM 0 HB2 LYS A 51 2.349 1.418 15.347 1.00 12.14 H new ATOM 0 HB3 LYS A 51 4.078 1.162 15.216 1.00 12.14 H new ATOM 0 HG2 LYS A 51 4.444 3.490 16.113 1.00 23.14 H new ATOM 0 HG3 LYS A 51 2.712 3.641 16.337 1.00 23.14 H new ATOM 0 HD2 LYS A 51 4.404 1.470 17.645 1.00 2.13 H new ATOM 0 HD3 LYS A 51 4.009 2.993 18.416 1.00 2.13 H new ATOM 0 HE2 LYS A 51 2.399 1.485 19.258 1.00 71.22 H new ATOM 0 HE3 LYS A 51 1.535 2.394 18.033 1.00 71.22 H new ATOM 0 HZ1 LYS A 51 1.205 0.573 16.819 1.00 13.22 H new ATOM 0 HZ2 LYS A 51 2.808 0.038 16.979 1.00 13.22 H new ATOM 0 HZ3 LYS A 51 1.673 -0.308 18.193 1.00 13.22 H new ATOM 789 N LEU A 52 1.885 1.377 12.201 1.00 63.22 N ATOM 790 CA LEU A 52 1.589 0.509 11.057 1.00 73.41 C ATOM 791 C LEU A 52 1.711 1.294 9.737 1.00 3.02 C ATOM 792 O LEU A 52 0.936 2.223 9.486 1.00 60.32 O ATOM 793 CB LEU A 52 0.171 -0.070 11.183 1.00 33.24 C ATOM 794 CG LEU A 52 -0.334 -0.873 9.970 1.00 13.30 C ATOM 795 CD1 LEU A 52 0.510 -2.126 9.744 1.00 2.42 C ATOM 796 CD2 LEU A 52 -1.803 -1.234 10.148 1.00 12.52 C ATOM 0 H LEU A 52 1.070 1.864 12.574 1.00 63.22 H new ATOM 0 HA LEU A 52 2.311 -0.307 11.051 1.00 73.41 H new ATOM 0 HB2 LEU A 52 0.139 -0.715 12.061 1.00 33.24 H new ATOM 0 HB3 LEU A 52 -0.522 0.751 11.365 1.00 33.24 H new ATOM 0 HG LEU A 52 -0.236 -0.246 9.084 1.00 13.30 H new ATOM 0 HD11 LEU A 52 0.128 -2.671 8.881 1.00 2.42 H new ATOM 0 HD12 LEU A 52 1.546 -1.839 9.563 1.00 2.42 H new ATOM 0 HD13 LEU A 52 0.459 -2.763 10.627 1.00 2.42 H new ATOM 0 HD21 LEU A 52 -2.146 -1.801 9.283 1.00 12.52 H new ATOM 0 HD22 LEU A 52 -1.923 -1.837 11.048 1.00 12.52 H new ATOM 0 HD23 LEU A 52 -2.393 -0.322 10.241 1.00 12.52 H new ATOM 808 N PRO A 53 2.685 0.945 8.872 1.00 34.22 N ATOM 809 CA PRO A 53 2.872 1.638 7.587 1.00 34.53 C ATOM 810 C PRO A 53 1.806 1.257 6.540 1.00 35.32 C ATOM 811 O PRO A 53 1.937 0.262 5.832 1.00 20.42 O ATOM 812 CB PRO A 53 4.267 1.171 7.145 1.00 1.42 C ATOM 813 CG PRO A 53 4.420 -0.183 7.761 1.00 1.34 C ATOM 814 CD PRO A 53 3.683 -0.128 9.075 1.00 53.34 C ATOM 0 HA PRO A 53 2.777 2.719 7.686 1.00 34.53 H new ATOM 0 HB2 PRO A 53 4.344 1.124 6.059 1.00 1.42 H new ATOM 0 HB3 PRO A 53 5.043 1.854 7.491 1.00 1.42 H new ATOM 0 HG2 PRO A 53 4.005 -0.955 7.113 1.00 1.34 H new ATOM 0 HG3 PRO A 53 5.472 -0.426 7.913 1.00 1.34 H new ATOM 0 HD2 PRO A 53 3.206 -1.080 9.307 1.00 53.34 H new ATOM 0 HD3 PRO A 53 4.355 0.101 9.902 1.00 53.34 H new ATOM 822 N TRP A 54 0.757 2.073 6.432 1.00 1.50 N ATOM 823 CA TRP A 54 -0.328 1.820 5.472 1.00 35.23 C ATOM 824 C TRP A 54 -0.012 2.403 4.084 1.00 23.32 C ATOM 825 O TRP A 54 -0.535 1.948 3.068 1.00 63.21 O ATOM 826 CB TRP A 54 -1.646 2.400 6.007 1.00 33.25 C ATOM 827 CG TRP A 54 -1.616 3.889 6.252 1.00 21.31 C ATOM 828 CD1 TRP A 54 -1.179 4.537 7.377 1.00 25.43 C ATOM 829 CD2 TRP A 54 -2.055 4.913 5.350 1.00 43.31 C ATOM 830 NE1 TRP A 54 -1.324 5.897 7.225 1.00 41.02 N ATOM 831 CE2 TRP A 54 -1.858 6.151 5.991 1.00 34.44 C ATOM 832 CE3 TRP A 54 -2.599 4.902 4.065 1.00 5.32 C ATOM 833 CZ2 TRP A 54 -2.182 7.366 5.384 1.00 12.11 C ATOM 834 CZ3 TRP A 54 -2.919 6.103 3.465 1.00 24.12 C ATOM 835 CH2 TRP A 54 -2.709 7.321 4.123 1.00 40.41 C ATOM 0 H TRP A 54 0.632 2.915 6.995 1.00 1.50 H new ATOM 0 HA TRP A 54 -0.427 0.741 5.357 1.00 35.23 H new ATOM 0 HB2 TRP A 54 -2.442 2.177 5.297 1.00 33.25 H new ATOM 0 HB3 TRP A 54 -1.899 1.895 6.939 1.00 33.25 H new ATOM 0 HD1 TRP A 54 -0.779 4.051 8.255 1.00 25.43 H new ATOM 0 HE1 TRP A 54 -1.074 6.601 7.919 1.00 41.02 H new ATOM 0 HE3 TRP A 54 -2.767 3.969 3.548 1.00 5.32 H new ATOM 0 HZ2 TRP A 54 -2.022 8.306 5.891 1.00 12.11 H new ATOM 0 HZ3 TRP A 54 -3.339 6.103 2.470 1.00 24.12 H new ATOM 0 HH2 TRP A 54 -2.968 8.243 3.625 1.00 40.41 H new ATOM 846 N PHE A 55 0.873 3.395 4.055 1.00 33.44 N ATOM 847 CA PHE A 55 1.239 4.094 2.815 1.00 61.43 C ATOM 848 C PHE A 55 1.901 3.168 1.769 1.00 64.23 C ATOM 849 O PHE A 55 2.054 3.541 0.609 1.00 51.35 O ATOM 850 CB PHE A 55 2.173 5.270 3.145 1.00 0.54 C ATOM 851 CG PHE A 55 3.418 4.876 3.905 1.00 34.10 C ATOM 852 CD1 PHE A 55 4.577 4.514 3.232 1.00 34.43 C ATOM 853 CD2 PHE A 55 3.428 4.876 5.292 1.00 53.21 C ATOM 854 CE1 PHE A 55 5.718 4.162 3.926 1.00 32.44 C ATOM 855 CE2 PHE A 55 4.567 4.523 5.990 1.00 4.10 C ATOM 856 CZ PHE A 55 5.713 4.166 5.306 1.00 42.33 C ATOM 0 H PHE A 55 1.358 3.740 4.883 1.00 33.44 H new ATOM 0 HA PHE A 55 0.315 4.458 2.366 1.00 61.43 H new ATOM 0 HB2 PHE A 55 2.467 5.758 2.216 1.00 0.54 H new ATOM 0 HB3 PHE A 55 1.621 6.005 3.730 1.00 0.54 H new ATOM 0 HD1 PHE A 55 4.587 4.508 2.152 1.00 34.43 H new ATOM 0 HD2 PHE A 55 2.536 5.155 5.832 1.00 53.21 H new ATOM 0 HE1 PHE A 55 6.613 3.884 3.389 1.00 32.44 H new ATOM 0 HE2 PHE A 55 4.561 4.526 7.070 1.00 4.10 H new ATOM 0 HZ PHE A 55 6.604 3.890 5.851 1.00 42.33 H new ATOM 866 N ARG A 56 2.283 1.964 2.185 1.00 71.51 N ATOM 867 CA ARG A 56 2.970 1.014 1.299 1.00 12.31 C ATOM 868 C ARG A 56 1.992 0.140 0.499 1.00 54.14 C ATOM 869 O ARG A 56 2.414 -0.728 -0.270 1.00 61.20 O ATOM 870 CB ARG A 56 3.895 0.117 2.128 1.00 24.24 C ATOM 871 CG ARG A 56 5.151 0.818 2.633 1.00 15.34 C ATOM 872 CD ARG A 56 5.953 -0.094 3.554 1.00 25.42 C ATOM 873 NE ARG A 56 7.362 0.291 3.642 1.00 31.01 N ATOM 874 CZ ARG A 56 8.336 -0.461 3.228 1.00 21.02 C ATOM 875 NH1 ARG A 56 8.087 -1.554 2.590 1.00 72.14 N ATOM 876 NH2 ARG A 56 9.560 -0.104 3.414 1.00 5.12 N ATOM 0 H ARG A 56 2.130 1.617 3.132 1.00 71.51 H new ATOM 0 HA ARG A 56 3.546 1.599 0.582 1.00 12.31 H new ATOM 0 HB2 ARG A 56 3.339 -0.270 2.982 1.00 24.24 H new ATOM 0 HB3 ARG A 56 4.189 -0.741 1.524 1.00 24.24 H new ATOM 0 HG2 ARG A 56 5.768 1.120 1.787 1.00 15.34 H new ATOM 0 HG3 ARG A 56 4.875 1.727 3.167 1.00 15.34 H new ATOM 0 HD2 ARG A 56 5.512 -0.075 4.551 1.00 25.42 H new ATOM 0 HD3 ARG A 56 5.883 -1.120 3.194 1.00 25.42 H new ATOM 0 HE ARG A 56 7.591 1.197 4.050 1.00 31.01 H new ATOM 0 HH11 ARG A 56 7.122 -1.830 2.409 1.00 72.14 H new ATOM 0 HH12 ARG A 56 8.855 -2.142 2.266 1.00 72.14 H new ATOM 0 HH21 ARG A 56 9.769 0.774 3.889 1.00 5.12 H new ATOM 0 HH22 ARG A 56 10.320 -0.700 3.086 1.00 5.12 H new ATOM 890 N VAL A 57 0.692 0.361 0.677 1.00 33.44 N ATOM 891 CA VAL A 57 -0.322 -0.485 0.037 1.00 25.51 C ATOM 892 C VAL A 57 -1.224 0.320 -0.923 1.00 64.45 C ATOM 893 O VAL A 57 -1.999 1.182 -0.503 1.00 50.34 O ATOM 894 CB VAL A 57 -1.193 -1.202 1.099 1.00 52.32 C ATOM 895 CG1 VAL A 57 -2.058 -2.276 0.451 1.00 43.14 C ATOM 896 CG2 VAL A 57 -0.320 -1.798 2.205 1.00 43.21 C ATOM 0 H VAL A 57 0.314 1.112 1.254 1.00 33.44 H new ATOM 0 HA VAL A 57 0.213 -1.231 -0.550 1.00 25.51 H new ATOM 0 HB VAL A 57 -1.854 -0.463 1.553 1.00 52.32 H new ATOM 0 HG11 VAL A 57 -2.661 -2.767 1.215 1.00 43.14 H new ATOM 0 HG12 VAL A 57 -2.713 -1.818 -0.290 1.00 43.14 H new ATOM 0 HG13 VAL A 57 -1.419 -3.013 -0.036 1.00 43.14 H new ATOM 0 HG21 VAL A 57 -0.953 -2.296 2.939 1.00 43.21 H new ATOM 0 HG22 VAL A 57 0.372 -2.521 1.773 1.00 43.21 H new ATOM 0 HG23 VAL A 57 0.244 -1.002 2.692 1.00 43.21 H new ATOM 906 N ILE A 58 -1.109 0.030 -2.221 1.00 5.10 N ATOM 907 CA ILE A 58 -1.894 0.714 -3.263 1.00 12.02 C ATOM 908 C ILE A 58 -2.917 -0.238 -3.918 1.00 0.14 C ATOM 909 O ILE A 58 -3.083 -1.378 -3.484 1.00 30.42 O ATOM 910 CB ILE A 58 -0.964 1.307 -4.354 1.00 1.21 C ATOM 911 CG1 ILE A 58 -0.089 0.203 -4.976 1.00 71.11 C ATOM 912 CG2 ILE A 58 -0.101 2.428 -3.773 1.00 30.22 C ATOM 913 CD1 ILE A 58 0.893 0.709 -6.015 1.00 4.54 C ATOM 0 H ILE A 58 -0.474 -0.681 -2.583 1.00 5.10 H new ATOM 0 HA ILE A 58 -2.438 1.524 -2.776 1.00 12.02 H new ATOM 0 HB ILE A 58 -1.584 1.733 -5.143 1.00 1.21 H new ATOM 0 HG12 ILE A 58 0.464 -0.299 -4.182 1.00 71.11 H new ATOM 0 HG13 ILE A 58 -0.736 -0.544 -5.436 1.00 71.11 H new ATOM 0 HG21 ILE A 58 0.545 2.832 -4.553 1.00 30.22 H new ATOM 0 HG22 ILE A 58 -0.744 3.220 -3.388 1.00 30.22 H new ATOM 0 HG23 ILE A 58 0.512 2.033 -2.963 1.00 30.22 H new ATOM 0 HD11 ILE A 58 1.472 -0.127 -6.406 1.00 4.54 H new ATOM 0 HD12 ILE A 58 0.347 1.185 -6.830 1.00 4.54 H new ATOM 0 HD13 ILE A 58 1.566 1.434 -5.557 1.00 4.54 H new ATOM 925 N ASN A 59 -3.619 0.233 -4.956 1.00 42.22 N ATOM 926 CA ASN A 59 -4.622 -0.601 -5.640 1.00 52.04 C ATOM 927 C ASN A 59 -4.020 -1.347 -6.846 1.00 5.14 C ATOM 928 O ASN A 59 -2.864 -1.128 -7.213 1.00 30.44 O ATOM 929 CB ASN A 59 -5.827 0.236 -6.090 1.00 72.23 C ATOM 930 CG ASN A 59 -5.442 1.364 -7.025 1.00 32.43 C ATOM 931 OD1 ASN A 59 -5.268 1.164 -8.217 1.00 41.25 O ATOM 932 ND2 ASN A 59 -5.323 2.561 -6.496 1.00 1.41 N ATOM 0 H ASN A 59 -3.516 1.173 -5.338 1.00 42.22 H new ATOM 0 HA ASN A 59 -4.961 -1.343 -4.917 1.00 52.04 H new ATOM 0 HB2 ASN A 59 -6.548 -0.412 -6.588 1.00 72.23 H new ATOM 0 HB3 ASN A 59 -6.323 0.651 -5.213 1.00 72.23 H new ATOM 0 HD21 ASN A 59 -5.079 3.357 -7.085 1.00 1.41 H new ATOM 0 HD22 ASN A 59 -5.475 2.694 -5.496 1.00 1.41 H new ATOM 939 N SER A 60 -4.829 -2.208 -7.467 1.00 50.13 N ATOM 940 CA SER A 60 -4.378 -3.067 -8.583 1.00 1.54 C ATOM 941 C SER A 60 -3.856 -2.260 -9.784 1.00 24.32 C ATOM 942 O SER A 60 -2.989 -2.729 -10.524 1.00 15.04 O ATOM 943 CB SER A 60 -5.525 -3.977 -9.046 1.00 71.43 C ATOM 944 OG SER A 60 -6.657 -3.214 -9.448 1.00 63.24 O ATOM 0 H SER A 60 -5.810 -2.335 -7.219 1.00 50.13 H new ATOM 0 HA SER A 60 -3.549 -3.664 -8.202 1.00 1.54 H new ATOM 0 HB2 SER A 60 -5.188 -4.598 -9.876 1.00 71.43 H new ATOM 0 HB3 SER A 60 -5.806 -4.652 -8.238 1.00 71.43 H new ATOM 0 HG SER A 60 -7.372 -3.818 -9.740 1.00 63.24 H new ATOM 950 N GLN A 61 -4.390 -1.052 -9.985 1.00 44.21 N ATOM 951 CA GLN A 61 -3.979 -0.193 -11.109 1.00 14.43 C ATOM 952 C GLN A 61 -2.529 0.301 -10.950 1.00 62.52 C ATOM 953 O GLN A 61 -1.888 0.703 -11.923 1.00 13.02 O ATOM 954 CB GLN A 61 -4.909 1.027 -11.220 1.00 23.41 C ATOM 955 CG GLN A 61 -6.399 0.691 -11.254 1.00 0.45 C ATOM 956 CD GLN A 61 -7.272 1.935 -11.319 1.00 35.24 C ATOM 957 OE1 GLN A 61 -6.885 2.952 -11.890 1.00 73.52 O ATOM 958 NE2 GLN A 61 -8.451 1.866 -10.738 1.00 61.42 N ATOM 0 H GLN A 61 -5.108 -0.643 -9.387 1.00 44.21 H new ATOM 0 HA GLN A 61 -4.045 -0.798 -12.013 1.00 14.43 H new ATOM 0 HB2 GLN A 61 -4.719 1.690 -10.376 1.00 23.41 H new ATOM 0 HB3 GLN A 61 -4.654 1.580 -12.124 1.00 23.41 H new ATOM 0 HG2 GLN A 61 -6.607 0.059 -12.117 1.00 0.45 H new ATOM 0 HG3 GLN A 61 -6.659 0.114 -10.367 1.00 0.45 H new ATOM 0 HE21 GLN A 61 -8.741 1.006 -10.273 1.00 61.42 H new ATOM 0 HE22 GLN A 61 -9.075 2.673 -10.753 1.00 61.42 H new ATOM 967 N GLY A 62 -2.022 0.264 -9.717 1.00 45.23 N ATOM 968 CA GLY A 62 -0.713 0.835 -9.416 1.00 53.44 C ATOM 969 C GLY A 62 -0.801 2.322 -9.090 1.00 11.21 C ATOM 970 O GLY A 62 -0.014 3.127 -9.582 1.00 41.21 O ATOM 0 H GLY A 62 -2.496 -0.153 -8.916 1.00 45.23 H new ATOM 0 HA2 GLY A 62 -0.271 0.304 -8.573 1.00 53.44 H new ATOM 0 HA3 GLY A 62 -0.049 0.689 -10.268 1.00 53.44 H new ATOM 974 N LYS A 63 -1.772 2.688 -8.253 1.00 3.31 N ATOM 975 CA LYS A 63 -2.016 4.096 -7.914 1.00 65.52 C ATOM 976 C LYS A 63 -2.485 4.257 -6.454 1.00 42.44 C ATOM 977 O LYS A 63 -2.961 3.309 -5.827 1.00 32.35 O ATOM 978 CB LYS A 63 -3.073 4.679 -8.875 1.00 61.30 C ATOM 979 CG LYS A 63 -3.398 6.155 -8.635 1.00 22.21 C ATOM 980 CD LYS A 63 -4.531 6.651 -9.530 1.00 52.52 C ATOM 981 CE LYS A 63 -4.918 8.087 -9.193 1.00 51.42 C ATOM 982 NZ LYS A 63 -6.029 8.580 -10.046 1.00 34.14 N ATOM 0 H LYS A 63 -2.404 2.031 -7.796 1.00 3.31 H new ATOM 0 HA LYS A 63 -1.077 4.639 -8.020 1.00 65.52 H new ATOM 0 HB2 LYS A 63 -2.721 4.559 -9.900 1.00 61.30 H new ATOM 0 HB3 LYS A 63 -3.990 4.098 -8.783 1.00 61.30 H new ATOM 0 HG2 LYS A 63 -3.673 6.299 -7.590 1.00 22.21 H new ATOM 0 HG3 LYS A 63 -2.506 6.755 -8.815 1.00 22.21 H new ATOM 0 HD2 LYS A 63 -4.225 6.591 -10.574 1.00 52.52 H new ATOM 0 HD3 LYS A 63 -5.399 6.002 -9.414 1.00 52.52 H new ATOM 0 HE2 LYS A 63 -5.212 8.147 -8.145 1.00 51.42 H new ATOM 0 HE3 LYS A 63 -4.050 8.735 -9.318 1.00 51.42 H new ATOM 0 HZ1 LYS A 63 -6.260 9.559 -9.783 1.00 34.14 H new ATOM 0 HZ2 LYS A 63 -5.740 8.548 -11.045 1.00 34.14 H new ATOM 0 HZ3 LYS A 63 -6.866 7.978 -9.908 1.00 34.14 H new ATOM 996 N ILE A 64 -2.332 5.463 -5.921 1.00 70.55 N ATOM 997 CA ILE A 64 -2.846 5.810 -4.595 1.00 71.31 C ATOM 998 C ILE A 64 -4.373 6.012 -4.643 1.00 0.42 C ATOM 999 O ILE A 64 -4.866 6.954 -5.264 1.00 2.21 O ATOM 1000 CB ILE A 64 -2.164 7.101 -4.069 1.00 14.12 C ATOM 1001 CG1 ILE A 64 -0.641 6.899 -3.963 1.00 20.25 C ATOM 1002 CG2 ILE A 64 -2.754 7.522 -2.726 1.00 1.24 C ATOM 1003 CD1 ILE A 64 0.115 8.128 -3.494 1.00 62.01 C ATOM 0 H ILE A 64 -1.850 6.229 -6.392 1.00 70.55 H new ATOM 0 HA ILE A 64 -2.619 4.987 -3.917 1.00 71.31 H new ATOM 0 HB ILE A 64 -2.354 7.904 -4.781 1.00 14.12 H new ATOM 0 HG12 ILE A 64 -0.441 6.078 -3.275 1.00 20.25 H new ATOM 0 HG13 ILE A 64 -0.256 6.599 -4.938 1.00 20.25 H new ATOM 0 HG21 ILE A 64 -2.259 8.429 -2.379 1.00 1.24 H new ATOM 0 HG22 ILE A 64 -3.821 7.712 -2.841 1.00 1.24 H new ATOM 0 HG23 ILE A 64 -2.604 6.726 -1.997 1.00 1.24 H new ATOM 0 HD11 ILE A 64 1.181 7.903 -3.446 1.00 62.01 H new ATOM 0 HD12 ILE A 64 -0.052 8.947 -4.194 1.00 62.01 H new ATOM 0 HD13 ILE A 64 -0.240 8.418 -2.505 1.00 62.01 H new ATOM 1015 N SER A 65 -5.120 5.124 -3.987 1.00 51.33 N ATOM 1016 CA SER A 65 -6.595 5.159 -4.029 1.00 44.14 C ATOM 1017 C SER A 65 -7.172 6.128 -2.982 1.00 12.12 C ATOM 1018 O SER A 65 -8.064 5.773 -2.210 1.00 30.32 O ATOM 1019 CB SER A 65 -7.162 3.747 -3.805 1.00 12.50 C ATOM 1020 OG SER A 65 -8.569 3.721 -3.976 1.00 65.34 O ATOM 0 H SER A 65 -4.735 4.369 -3.419 1.00 51.33 H new ATOM 0 HA SER A 65 -6.890 5.519 -5.015 1.00 44.14 H new ATOM 0 HB2 SER A 65 -6.696 3.051 -4.503 1.00 12.50 H new ATOM 0 HB3 SER A 65 -6.910 3.407 -2.800 1.00 12.50 H new ATOM 0 HG SER A 65 -8.988 4.336 -3.338 1.00 65.34 H new ATOM 1026 N LEU A 66 -6.678 7.364 -2.986 1.00 32.31 N ATOM 1027 CA LEU A 66 -7.067 8.364 -1.981 1.00 42.41 C ATOM 1028 C LEU A 66 -7.458 9.707 -2.626 1.00 51.43 C ATOM 1029 O LEU A 66 -7.668 9.796 -3.839 1.00 73.03 O ATOM 1030 CB LEU A 66 -5.905 8.582 -0.998 1.00 52.23 C ATOM 1031 CG LEU A 66 -5.485 7.348 -0.179 1.00 54.24 C ATOM 1032 CD1 LEU A 66 -4.234 7.647 0.644 1.00 1.12 C ATOM 1033 CD2 LEU A 66 -6.625 6.888 0.729 1.00 32.12 C ATOM 0 H LEU A 66 -6.005 7.703 -3.674 1.00 32.31 H new ATOM 0 HA LEU A 66 -7.941 7.984 -1.453 1.00 42.41 H new ATOM 0 HB2 LEU A 66 -5.040 8.935 -1.559 1.00 52.23 H new ATOM 0 HB3 LEU A 66 -6.182 9.377 -0.306 1.00 52.23 H new ATOM 0 HG LEU A 66 -5.254 6.542 -0.875 1.00 54.24 H new ATOM 0 HD11 LEU A 66 -3.954 6.762 1.215 1.00 1.12 H new ATOM 0 HD12 LEU A 66 -3.417 7.922 -0.023 1.00 1.12 H new ATOM 0 HD13 LEU A 66 -4.437 8.471 1.328 1.00 1.12 H new ATOM 0 HD21 LEU A 66 -6.307 6.015 1.299 1.00 32.12 H new ATOM 0 HD22 LEU A 66 -6.891 7.692 1.415 1.00 32.12 H new ATOM 0 HD23 LEU A 66 -7.492 6.629 0.121 1.00 32.12 H new ATOM 1045 N LYS A 67 -7.576 10.738 -1.792 1.00 63.53 N ATOM 1046 CA LYS A 67 -7.860 12.103 -2.250 1.00 43.22 C ATOM 1047 C LYS A 67 -6.565 12.924 -2.347 1.00 23.42 C ATOM 1048 O LYS A 67 -5.511 12.471 -1.911 1.00 64.42 O ATOM 1049 CB LYS A 67 -8.840 12.777 -1.277 1.00 12.44 C ATOM 1050 CG LYS A 67 -10.229 12.138 -1.263 1.00 50.11 C ATOM 1051 CD LYS A 67 -11.021 12.473 -2.522 1.00 22.12 C ATOM 1052 CE LYS A 67 -11.348 13.961 -2.598 1.00 24.40 C ATOM 1053 NZ LYS A 67 -12.141 14.302 -3.807 1.00 54.45 N ATOM 0 H LYS A 67 -7.478 10.655 -0.780 1.00 63.53 H new ATOM 0 HA LYS A 67 -8.308 12.055 -3.242 1.00 43.22 H new ATOM 0 HB2 LYS A 67 -8.422 12.740 -0.271 1.00 12.44 H new ATOM 0 HB3 LYS A 67 -8.937 13.830 -1.543 1.00 12.44 H new ATOM 0 HG2 LYS A 67 -10.130 11.056 -1.173 1.00 50.11 H new ATOM 0 HG3 LYS A 67 -10.778 12.482 -0.386 1.00 50.11 H new ATOM 0 HD2 LYS A 67 -10.448 12.180 -3.402 1.00 22.12 H new ATOM 0 HD3 LYS A 67 -11.945 11.895 -2.536 1.00 22.12 H new ATOM 0 HE2 LYS A 67 -11.903 14.255 -1.707 1.00 24.40 H new ATOM 0 HE3 LYS A 67 -10.421 14.535 -2.600 1.00 24.40 H new ATOM 0 HZ1 LYS A 67 -12.339 15.323 -3.816 1.00 54.45 H new ATOM 0 HZ2 LYS A 67 -11.602 14.047 -4.659 1.00 54.45 H new ATOM 0 HZ3 LYS A 67 -13.038 13.775 -3.794 1.00 54.45 H new ATOM 1067 N GLY A 68 -6.652 14.133 -2.906 1.00 52.53 N ATOM 1068 CA GLY A 68 -5.480 14.999 -3.056 1.00 64.15 C ATOM 1069 C GLY A 68 -4.693 15.206 -1.761 1.00 24.13 C ATOM 1070 O GLY A 68 -3.463 15.135 -1.755 1.00 20.41 O ATOM 0 H GLY A 68 -7.520 14.534 -3.262 1.00 52.53 H new ATOM 0 HA2 GLY A 68 -4.817 14.570 -3.808 1.00 64.15 H new ATOM 0 HA3 GLY A 68 -5.803 15.970 -3.432 1.00 64.15 H new ATOM 1074 N ARG A 69 -5.403 15.471 -0.666 1.00 41.53 N ATOM 1075 CA ARG A 69 -4.772 15.635 0.652 1.00 51.30 C ATOM 1076 C ARG A 69 -4.026 14.358 1.066 1.00 61.14 C ATOM 1077 O ARG A 69 -2.818 14.369 1.317 1.00 55.21 O ATOM 1078 CB ARG A 69 -5.841 15.971 1.707 1.00 63.44 C ATOM 1079 CG ARG A 69 -6.667 17.210 1.377 1.00 32.34 C ATOM 1080 CD ARG A 69 -7.829 17.398 2.347 1.00 51.41 C ATOM 1081 NE ARG A 69 -8.664 18.542 1.982 1.00 4.24 N ATOM 1082 CZ ARG A 69 -9.816 18.453 1.374 1.00 44.51 C ATOM 1083 NH1 ARG A 69 -10.319 17.293 1.076 1.00 2.34 N ATOM 1084 NH2 ARG A 69 -10.466 19.529 1.069 1.00 22.43 N ATOM 0 H ARG A 69 -6.417 15.578 -0.661 1.00 41.53 H new ATOM 0 HA ARG A 69 -4.053 16.452 0.586 1.00 51.30 H new ATOM 0 HB2 ARG A 69 -6.511 15.118 1.816 1.00 63.44 H new ATOM 0 HB3 ARG A 69 -5.353 16.118 2.671 1.00 63.44 H new ATOM 0 HG2 ARG A 69 -6.026 18.091 1.405 1.00 32.34 H new ATOM 0 HG3 ARG A 69 -7.053 17.128 0.361 1.00 32.34 H new ATOM 0 HD2 ARG A 69 -8.438 16.494 2.363 1.00 51.41 H new ATOM 0 HD3 ARG A 69 -7.441 17.539 3.356 1.00 51.41 H new ATOM 0 HE ARG A 69 -8.323 19.474 2.219 1.00 4.24 H new ATOM 0 HH11 ARG A 69 -9.813 16.441 1.317 1.00 2.34 H new ATOM 0 HH12 ARG A 69 -11.220 17.235 0.601 1.00 2.34 H new ATOM 0 HH21 ARG A 69 -10.078 20.443 1.303 1.00 22.43 H new ATOM 0 HH22 ARG A 69 -11.366 19.464 0.594 1.00 22.43 H new ATOM 1098 N ASP A 70 -4.765 13.256 1.117 1.00 71.11 N ATOM 1099 CA ASP A 70 -4.222 11.962 1.531 1.00 25.41 C ATOM 1100 C ASP A 70 -3.162 11.439 0.541 1.00 22.13 C ATOM 1101 O ASP A 70 -2.290 10.648 0.907 1.00 70.01 O ATOM 1102 CB ASP A 70 -5.370 10.960 1.659 1.00 22.51 C ATOM 1103 CG ASP A 70 -6.538 11.538 2.441 1.00 22.05 C ATOM 1104 OD1 ASP A 70 -7.411 12.187 1.822 1.00 75.11 O ATOM 1105 OD2 ASP A 70 -6.581 11.363 3.678 1.00 12.10 O ATOM 0 H ASP A 70 -5.755 13.231 0.874 1.00 71.11 H new ATOM 0 HA ASP A 70 -3.725 12.088 2.493 1.00 25.41 H new ATOM 0 HB2 ASP A 70 -5.708 10.665 0.665 1.00 22.51 H new ATOM 0 HB3 ASP A 70 -5.012 10.058 2.154 1.00 22.51 H new ATOM 1110 N LEU A 71 -3.244 11.891 -0.709 1.00 1.41 N ATOM 1111 CA LEU A 71 -2.295 11.486 -1.752 1.00 3.21 C ATOM 1112 C LEU A 71 -0.882 11.960 -1.401 1.00 45.23 C ATOM 1113 O LEU A 71 0.051 11.160 -1.342 1.00 63.21 O ATOM 1114 CB LEU A 71 -2.742 12.049 -3.117 1.00 63.11 C ATOM 1115 CG LEU A 71 -2.016 11.497 -4.368 1.00 20.20 C ATOM 1116 CD1 LEU A 71 -2.837 11.769 -5.625 1.00 2.42 C ATOM 1117 CD2 LEU A 71 -0.612 12.094 -4.523 1.00 25.45 C ATOM 0 H LEU A 71 -3.961 12.542 -1.028 1.00 1.41 H new ATOM 0 HA LEU A 71 -2.279 10.398 -1.815 1.00 3.21 H new ATOM 0 HB2 LEU A 71 -3.809 11.858 -3.231 1.00 63.11 H new ATOM 0 HB3 LEU A 71 -2.612 13.131 -3.098 1.00 63.11 H new ATOM 0 HG LEU A 71 -1.909 10.421 -4.232 1.00 20.20 H new ATOM 0 HD11 LEU A 71 -2.312 11.374 -6.495 1.00 2.42 H new ATOM 0 HD12 LEU A 71 -3.809 11.284 -5.537 1.00 2.42 H new ATOM 0 HD13 LEU A 71 -2.977 12.844 -5.742 1.00 2.42 H new ATOM 0 HD21 LEU A 71 -0.137 11.681 -5.413 1.00 25.45 H new ATOM 0 HD22 LEU A 71 -0.686 13.177 -4.621 1.00 25.45 H new ATOM 0 HD23 LEU A 71 -0.014 11.849 -3.645 1.00 25.45 H new ATOM 1129 N ASP A 72 -0.727 13.264 -1.166 1.00 65.24 N ATOM 1130 CA ASP A 72 0.564 13.823 -0.755 1.00 52.34 C ATOM 1131 C ASP A 72 1.045 13.214 0.572 1.00 40.11 C ATOM 1132 O ASP A 72 2.245 13.049 0.780 1.00 70.42 O ATOM 1133 CB ASP A 72 0.489 15.351 -0.656 1.00 62.04 C ATOM 1134 CG ASP A 72 0.520 16.015 -2.023 1.00 23.42 C ATOM 1135 OD1 ASP A 72 -0.524 16.046 -2.701 1.00 25.35 O ATOM 1136 OD2 ASP A 72 1.597 16.509 -2.427 1.00 3.54 O ATOM 0 H ASP A 72 -1.476 13.951 -1.253 1.00 65.24 H new ATOM 0 HA ASP A 72 1.294 13.564 -1.521 1.00 52.34 H new ATOM 0 HB2 ASP A 72 -0.426 15.636 -0.136 1.00 62.04 H new ATOM 0 HB3 ASP A 72 1.323 15.716 -0.057 1.00 62.04 H new ATOM 1141 N ARG A 73 0.108 12.881 1.468 1.00 64.32 N ATOM 1142 CA ARG A 73 0.456 12.144 2.695 1.00 12.13 C ATOM 1143 C ARG A 73 1.229 10.858 2.361 1.00 41.40 C ATOM 1144 O ARG A 73 2.397 10.700 2.734 1.00 23.52 O ATOM 1145 CB ARG A 73 -0.806 11.779 3.505 1.00 35.22 C ATOM 1146 CG ARG A 73 -1.157 12.758 4.619 1.00 51.13 C ATOM 1147 CD ARG A 73 -1.581 14.122 4.095 1.00 61.13 C ATOM 1148 NE ARG A 73 -2.076 14.975 5.173 1.00 33.45 N ATOM 1149 CZ ARG A 73 -2.660 16.124 4.994 1.00 64.21 C ATOM 1150 NH1 ARG A 73 -2.785 16.619 3.806 1.00 44.44 N ATOM 1151 NH2 ARG A 73 -3.100 16.791 6.011 1.00 61.41 N ATOM 0 H ARG A 73 -0.883 13.105 1.372 1.00 64.32 H new ATOM 0 HA ARG A 73 1.086 12.799 3.296 1.00 12.13 H new ATOM 0 HB2 ARG A 73 -1.652 11.710 2.821 1.00 35.22 H new ATOM 0 HB3 ARG A 73 -0.667 10.790 3.941 1.00 35.22 H new ATOM 0 HG2 ARG A 73 -1.962 12.340 5.223 1.00 51.13 H new ATOM 0 HG3 ARG A 73 -0.295 12.878 5.275 1.00 51.13 H new ATOM 0 HD2 ARG A 73 -0.735 14.605 3.606 1.00 61.13 H new ATOM 0 HD3 ARG A 73 -2.358 13.999 3.340 1.00 61.13 H new ATOM 0 HE ARG A 73 -1.956 14.647 6.131 1.00 33.45 H new ATOM 0 HH11 ARG A 73 -2.424 16.108 3.000 1.00 44.44 H new ATOM 0 HH12 ARG A 73 -3.244 17.520 3.675 1.00 44.44 H new ATOM 0 HH21 ARG A 73 -2.989 16.416 6.953 1.00 61.41 H new ATOM 0 HH22 ARG A 73 -3.558 17.692 5.871 1.00 61.41 H new ATOM 1165 N GLN A 74 0.562 9.948 1.651 1.00 11.42 N ATOM 1166 CA GLN A 74 1.155 8.667 1.261 1.00 55.53 C ATOM 1167 C GLN A 74 2.415 8.870 0.405 1.00 70.32 C ATOM 1168 O GLN A 74 3.444 8.231 0.633 1.00 75.44 O ATOM 1169 CB GLN A 74 0.122 7.823 0.495 1.00 43.44 C ATOM 1170 CG GLN A 74 0.599 6.415 0.173 1.00 22.54 C ATOM 1171 CD GLN A 74 -0.468 5.556 -0.480 1.00 22.24 C ATOM 1172 OE1 GLN A 74 -1.659 5.752 -0.273 1.00 20.43 O ATOM 1173 NE2 GLN A 74 -0.045 4.578 -1.250 1.00 73.21 N ATOM 0 H GLN A 74 -0.398 10.076 1.331 1.00 11.42 H new ATOM 0 HA GLN A 74 1.450 8.140 2.168 1.00 55.53 H new ATOM 0 HB2 GLN A 74 -0.792 7.761 1.085 1.00 43.44 H new ATOM 0 HB3 GLN A 74 -0.132 8.332 -0.435 1.00 43.44 H new ATOM 0 HG2 GLN A 74 1.464 6.474 -0.488 1.00 22.54 H new ATOM 0 HG3 GLN A 74 0.932 5.933 1.092 1.00 22.54 H new ATOM 0 HE21 GLN A 74 0.955 4.444 -1.401 1.00 73.21 H new ATOM 0 HE22 GLN A 74 -0.717 3.954 -1.697 1.00 73.21 H new ATOM 1182 N LYS A 75 2.328 9.778 -0.564 1.00 72.12 N ATOM 1183 CA LYS A 75 3.443 10.065 -1.471 1.00 13.44 C ATOM 1184 C LYS A 75 4.710 10.492 -0.711 1.00 22.25 C ATOM 1185 O LYS A 75 5.785 9.946 -0.945 1.00 14.50 O ATOM 1186 CB LYS A 75 3.036 11.141 -2.484 1.00 4.44 C ATOM 1187 CG LYS A 75 4.150 11.551 -3.445 1.00 32.21 C ATOM 1188 CD LYS A 75 3.616 12.403 -4.594 1.00 51.22 C ATOM 1189 CE LYS A 75 4.734 12.867 -5.523 1.00 3.14 C ATOM 1190 NZ LYS A 75 5.629 13.861 -4.870 1.00 24.21 N ATOM 0 H LYS A 75 1.491 10.333 -0.744 1.00 72.12 H new ATOM 0 HA LYS A 75 3.681 9.144 -2.003 1.00 13.44 H new ATOM 0 HB2 LYS A 75 2.188 10.776 -3.063 1.00 4.44 H new ATOM 0 HB3 LYS A 75 2.696 12.024 -1.942 1.00 4.44 H new ATOM 0 HG2 LYS A 75 4.913 12.109 -2.902 1.00 32.21 H new ATOM 0 HG3 LYS A 75 4.632 10.659 -3.846 1.00 32.21 H new ATOM 0 HD2 LYS A 75 2.885 11.828 -5.163 1.00 51.22 H new ATOM 0 HD3 LYS A 75 3.095 13.271 -4.191 1.00 51.22 H new ATOM 0 HE2 LYS A 75 5.321 12.006 -5.841 1.00 3.14 H new ATOM 0 HE3 LYS A 75 4.300 13.306 -6.421 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 6.481 13.996 -5.451 1.00 24.21 H new ATOM 0 HZ2 LYS A 75 5.129 14.768 -4.773 1.00 24.21 H new ATOM 0 HZ3 LYS A 75 5.904 13.515 -3.929 1.00 24.21 H new ATOM 1204 N GLN A 76 4.582 11.450 0.207 1.00 13.30 N ATOM 1205 CA GLN A 76 5.729 11.908 1.008 1.00 63.43 C ATOM 1206 C GLN A 76 6.355 10.755 1.810 1.00 60.42 C ATOM 1207 O GLN A 76 7.578 10.661 1.941 1.00 52.12 O ATOM 1208 CB GLN A 76 5.306 13.040 1.959 1.00 12.33 C ATOM 1209 CG GLN A 76 4.989 14.364 1.259 1.00 52.34 C ATOM 1210 CD GLN A 76 6.227 15.074 0.726 1.00 62.23 C ATOM 1211 OE1 GLN A 76 7.221 14.452 0.367 1.00 23.11 O ATOM 1212 NE2 GLN A 76 6.180 16.389 0.670 1.00 71.34 N ATOM 0 H GLN A 76 3.704 11.924 0.417 1.00 13.30 H new ATOM 0 HA GLN A 76 6.481 12.286 0.315 1.00 63.43 H new ATOM 0 HB2 GLN A 76 4.428 12.719 2.519 1.00 12.33 H new ATOM 0 HB3 GLN A 76 6.103 13.207 2.684 1.00 12.33 H new ATOM 0 HG2 GLN A 76 4.303 14.176 0.433 1.00 52.34 H new ATOM 0 HG3 GLN A 76 4.473 15.023 1.958 1.00 52.34 H new ATOM 0 HE21 GLN A 76 5.341 16.883 0.975 1.00 71.34 H new ATOM 0 HE22 GLN A 76 6.982 16.914 0.322 1.00 71.34 H new ATOM 1221 N LYS A 77 5.511 9.872 2.343 1.00 75.21 N ATOM 1222 CA LYS A 77 5.990 8.704 3.090 1.00 30.13 C ATOM 1223 C LYS A 77 6.732 7.721 2.168 1.00 54.23 C ATOM 1224 O LYS A 77 7.700 7.076 2.576 1.00 11.44 O ATOM 1225 CB LYS A 77 4.816 7.995 3.780 1.00 74.54 C ATOM 1226 CG LYS A 77 4.003 8.864 4.752 1.00 10.42 C ATOM 1227 CD LYS A 77 4.716 9.112 6.091 1.00 3.12 C ATOM 1228 CE LYS A 77 5.872 10.103 5.978 1.00 22.53 C ATOM 1229 NZ LYS A 77 6.492 10.393 7.298 1.00 10.14 N ATOM 0 H LYS A 77 4.496 9.940 2.273 1.00 75.21 H new ATOM 0 HA LYS A 77 6.690 9.054 3.848 1.00 30.13 H new ATOM 0 HB2 LYS A 77 4.144 7.611 3.013 1.00 74.54 H new ATOM 0 HB3 LYS A 77 5.203 7.134 4.325 1.00 74.54 H new ATOM 0 HG2 LYS A 77 3.790 9.823 4.279 1.00 10.42 H new ATOM 0 HG3 LYS A 77 3.044 8.383 4.943 1.00 10.42 H new ATOM 0 HD2 LYS A 77 3.994 9.486 6.817 1.00 3.12 H new ATOM 0 HD3 LYS A 77 5.093 8.165 6.476 1.00 3.12 H new ATOM 0 HE2 LYS A 77 6.628 9.702 5.303 1.00 22.53 H new ATOM 0 HE3 LYS A 77 5.511 11.032 5.536 1.00 22.53 H new ATOM 0 HZ1 LYS A 77 7.272 11.070 7.174 1.00 10.14 H new ATOM 0 HZ2 LYS A 77 5.778 10.800 7.935 1.00 10.14 H new ATOM 0 HZ3 LYS A 77 6.861 9.512 7.710 1.00 10.14 H new ATOM 1243 N LEU A 78 6.272 7.613 0.922 1.00 43.12 N ATOM 1244 CA LEU A 78 6.914 6.748 -0.075 1.00 74.11 C ATOM 1245 C LEU A 78 8.235 7.351 -0.582 1.00 41.24 C ATOM 1246 O LEU A 78 9.236 6.648 -0.740 1.00 3.32 O ATOM 1247 CB LEU A 78 5.954 6.506 -1.250 1.00 42.51 C ATOM 1248 CG LEU A 78 4.674 5.732 -0.890 1.00 33.11 C ATOM 1249 CD1 LEU A 78 3.710 5.695 -2.071 1.00 62.35 C ATOM 1250 CD2 LEU A 78 5.020 4.316 -0.431 1.00 44.34 C ATOM 0 H LEU A 78 5.454 8.115 0.575 1.00 43.12 H new ATOM 0 HA LEU A 78 7.149 5.797 0.404 1.00 74.11 H new ATOM 0 HB2 LEU A 78 5.672 7.470 -1.674 1.00 42.51 H new ATOM 0 HB3 LEU A 78 6.486 5.959 -2.028 1.00 42.51 H new ATOM 0 HG LEU A 78 4.180 6.251 -0.069 1.00 33.11 H new ATOM 0 HD11 LEU A 78 2.813 5.142 -1.791 1.00 62.35 H new ATOM 0 HD12 LEU A 78 3.437 6.713 -2.350 1.00 62.35 H new ATOM 0 HD13 LEU A 78 4.190 5.203 -2.917 1.00 62.35 H new ATOM 0 HD21 LEU A 78 4.104 3.781 -0.180 1.00 44.34 H new ATOM 0 HD22 LEU A 78 5.539 3.790 -1.232 1.00 44.34 H new ATOM 0 HD23 LEU A 78 5.664 4.365 0.447 1.00 44.34 H new ATOM 1262 N GLU A 79 8.241 8.660 -0.832 1.00 71.21 N ATOM 1263 CA GLU A 79 9.454 9.355 -1.273 1.00 41.31 C ATOM 1264 C GLU A 79 10.515 9.354 -0.164 1.00 71.32 C ATOM 1265 O GLU A 79 11.716 9.383 -0.441 1.00 71.20 O ATOM 1266 CB GLU A 79 9.127 10.789 -1.711 1.00 63.40 C ATOM 1267 CG GLU A 79 8.120 10.850 -2.854 1.00 40.15 C ATOM 1268 CD GLU A 79 7.929 12.253 -3.406 1.00 42.34 C ATOM 1269 OE1 GLU A 79 7.252 13.074 -2.752 1.00 10.41 O ATOM 1270 OE2 GLU A 79 8.447 12.540 -4.505 1.00 73.00 O ATOM 0 H GLU A 79 7.422 9.261 -0.737 1.00 71.21 H new ATOM 0 HA GLU A 79 9.860 8.820 -2.132 1.00 41.31 H new ATOM 0 HB2 GLU A 79 8.734 11.342 -0.858 1.00 63.40 H new ATOM 0 HB3 GLU A 79 10.047 11.288 -2.018 1.00 63.40 H new ATOM 0 HG2 GLU A 79 8.451 10.192 -3.657 1.00 40.15 H new ATOM 0 HG3 GLU A 79 7.160 10.469 -2.505 1.00 40.15 H new ATOM 1277 N ALA A 80 10.066 9.299 1.091 1.00 34.55 N ATOM 1278 CA ALA A 80 10.971 9.113 2.234 1.00 51.43 C ATOM 1279 C ALA A 80 11.704 7.763 2.143 1.00 5.41 C ATOM 1280 O ALA A 80 12.791 7.586 2.698 1.00 64.13 O ATOM 1281 CB ALA A 80 10.195 9.212 3.544 1.00 21.40 C ATOM 0 H ALA A 80 9.082 9.380 1.345 1.00 34.55 H new ATOM 0 HA ALA A 80 11.719 9.905 2.209 1.00 51.43 H new ATOM 0 HB1 ALA A 80 10.877 9.072 4.382 1.00 21.40 H new ATOM 0 HB2 ALA A 80 9.727 10.194 3.616 1.00 21.40 H new ATOM 0 HB3 ALA A 80 9.425 8.441 3.570 1.00 21.40 H new ATOM 1287 N GLU A 81 11.088 6.813 1.437 1.00 41.34 N ATOM 1288 CA GLU A 81 11.691 5.499 1.173 1.00 31.45 C ATOM 1289 C GLU A 81 12.434 5.477 -0.177 1.00 53.11 C ATOM 1290 O GLU A 81 12.955 4.439 -0.590 1.00 13.34 O ATOM 1291 CB GLU A 81 10.602 4.412 1.187 1.00 41.40 C ATOM 1292 CG GLU A 81 9.985 4.166 2.560 1.00 41.43 C ATOM 1293 CD GLU A 81 10.932 3.449 3.515 1.00 44.54 C ATOM 1294 OE1 GLU A 81 11.871 4.092 4.036 1.00 61.42 O ATOM 1295 OE2 GLU A 81 10.746 2.239 3.746 1.00 53.35 O ATOM 0 H GLU A 81 10.159 6.929 1.032 1.00 41.34 H new ATOM 0 HA GLU A 81 12.419 5.301 1.960 1.00 31.45 H new ATOM 0 HB2 GLU A 81 9.812 4.695 0.491 1.00 41.40 H new ATOM 0 HB3 GLU A 81 11.030 3.479 0.821 1.00 41.40 H new ATOM 0 HG2 GLU A 81 9.690 5.120 2.997 1.00 41.43 H new ATOM 0 HG3 GLU A 81 9.077 3.574 2.444 1.00 41.43 H new ATOM 1302 N GLY A 82 12.481 6.623 -0.855 1.00 4.21 N ATOM 1303 CA GLY A 82 13.143 6.708 -2.156 1.00 15.11 C ATOM 1304 C GLY A 82 12.366 6.011 -3.269 1.00 33.42 C ATOM 1305 O GLY A 82 12.937 5.258 -4.064 1.00 52.15 O ATOM 0 H GLY A 82 12.072 7.499 -0.529 1.00 4.21 H new ATOM 0 HA2 GLY A 82 13.281 7.757 -2.419 1.00 15.11 H new ATOM 0 HA3 GLY A 82 14.136 6.265 -2.081 1.00 15.11 H new ATOM 1309 N ILE A 83 11.058 6.258 -3.327 1.00 4.32 N ATOM 1310 CA ILE A 83 10.196 5.648 -4.347 1.00 12.30 C ATOM 1311 C ILE A 83 9.726 6.679 -5.392 1.00 11.22 C ATOM 1312 O ILE A 83 9.266 7.771 -5.046 1.00 14.24 O ATOM 1313 CB ILE A 83 8.962 4.970 -3.693 1.00 51.04 C ATOM 1314 CG1 ILE A 83 9.419 3.862 -2.724 1.00 5.42 C ATOM 1315 CG2 ILE A 83 8.017 4.403 -4.758 1.00 12.53 C ATOM 1316 CD1 ILE A 83 8.284 3.162 -2.005 1.00 21.33 C ATOM 0 H ILE A 83 10.569 6.877 -2.680 1.00 4.32 H new ATOM 0 HA ILE A 83 10.794 4.893 -4.858 1.00 12.30 H new ATOM 0 HB ILE A 83 8.413 5.724 -3.129 1.00 51.04 H new ATOM 0 HG12 ILE A 83 9.994 3.122 -3.281 1.00 5.42 H new ATOM 0 HG13 ILE A 83 10.091 4.296 -1.984 1.00 5.42 H new ATOM 0 HG21 ILE A 83 7.161 3.934 -4.272 1.00 12.53 H new ATOM 0 HG22 ILE A 83 7.670 5.210 -5.404 1.00 12.53 H new ATOM 0 HG23 ILE A 83 8.546 3.661 -5.356 1.00 12.53 H new ATOM 0 HD11 ILE A 83 8.690 2.397 -1.343 1.00 21.33 H new ATOM 0 HD12 ILE A 83 7.722 3.889 -1.419 1.00 21.33 H new ATOM 0 HD13 ILE A 83 7.623 2.696 -2.736 1.00 21.33 H new ATOM 1328 N GLU A 84 9.865 6.320 -6.668 1.00 61.31 N ATOM 1329 CA GLU A 84 9.386 7.147 -7.781 1.00 73.23 C ATOM 1330 C GLU A 84 7.849 7.144 -7.859 1.00 30.52 C ATOM 1331 O GLU A 84 7.240 6.151 -8.264 1.00 45.10 O ATOM 1332 CB GLU A 84 9.976 6.632 -9.104 1.00 40.20 C ATOM 1333 CG GLU A 84 9.425 7.321 -10.349 1.00 3.35 C ATOM 1334 CD GLU A 84 9.884 6.654 -11.637 1.00 24.41 C ATOM 1335 OE1 GLU A 84 9.332 5.586 -11.988 1.00 24.13 O ATOM 1336 OE2 GLU A 84 10.800 7.183 -12.297 1.00 64.24 O ATOM 0 H GLU A 84 10.311 5.451 -6.961 1.00 61.31 H new ATOM 0 HA GLU A 84 9.714 8.172 -7.607 1.00 73.23 H new ATOM 0 HB2 GLU A 84 11.058 6.762 -9.080 1.00 40.20 H new ATOM 0 HB3 GLU A 84 9.785 5.562 -9.181 1.00 40.20 H new ATOM 0 HG2 GLU A 84 8.336 7.317 -10.310 1.00 3.35 H new ATOM 0 HG3 GLU A 84 9.740 8.364 -10.352 1.00 3.35 H new ATOM 1343 N VAL A 85 7.230 8.253 -7.462 1.00 70.05 N ATOM 1344 CA VAL A 85 5.771 8.389 -7.501 1.00 33.12 C ATOM 1345 C VAL A 85 5.338 9.423 -8.553 1.00 21.05 C ATOM 1346 O VAL A 85 5.726 10.594 -8.490 1.00 3.25 O ATOM 1347 CB VAL A 85 5.205 8.798 -6.116 1.00 21.33 C ATOM 1348 CG1 VAL A 85 3.678 8.847 -6.147 1.00 61.03 C ATOM 1349 CG2 VAL A 85 5.697 7.843 -5.026 1.00 51.50 C ATOM 0 H VAL A 85 7.717 9.076 -7.107 1.00 70.05 H new ATOM 0 HA VAL A 85 5.368 7.414 -7.773 1.00 33.12 H new ATOM 0 HB VAL A 85 5.571 9.798 -5.881 1.00 21.33 H new ATOM 0 HG11 VAL A 85 3.303 9.136 -5.165 1.00 61.03 H new ATOM 0 HG12 VAL A 85 3.352 9.576 -6.889 1.00 61.03 H new ATOM 0 HG13 VAL A 85 3.288 7.864 -6.409 1.00 61.03 H new ATOM 0 HG21 VAL A 85 5.288 8.148 -4.063 1.00 51.50 H new ATOM 0 HG22 VAL A 85 5.368 6.829 -5.255 1.00 51.50 H new ATOM 0 HG23 VAL A 85 6.786 7.870 -4.983 1.00 51.50 H new ATOM 1359 N SER A 86 4.537 8.986 -9.523 1.00 32.35 N ATOM 1360 CA SER A 86 4.035 9.873 -10.583 1.00 54.05 C ATOM 1361 C SER A 86 3.091 10.947 -10.025 1.00 54.34 C ATOM 1362 O SER A 86 2.391 10.715 -9.037 1.00 22.21 O ATOM 1363 CB SER A 86 3.312 9.070 -11.672 1.00 4.30 C ATOM 1364 OG SER A 86 2.760 9.922 -12.666 1.00 3.14 O ATOM 0 H SER A 86 4.218 8.020 -9.601 1.00 32.35 H new ATOM 0 HA SER A 86 4.902 10.370 -11.019 1.00 54.05 H new ATOM 0 HB2 SER A 86 4.010 8.373 -12.135 1.00 4.30 H new ATOM 0 HB3 SER A 86 2.519 8.474 -11.220 1.00 4.30 H new ATOM 0 HG SER A 86 2.308 9.381 -13.346 1.00 3.14 H new ATOM 1370 N GLU A 87 3.069 12.102 -10.699 1.00 32.24 N ATOM 1371 CA GLU A 87 2.321 13.298 -10.265 1.00 55.40 C ATOM 1372 C GLU A 87 0.893 12.986 -9.771 1.00 3.42 C ATOM 1373 O GLU A 87 0.439 13.544 -8.767 1.00 2.02 O ATOM 1374 CB GLU A 87 2.269 14.306 -11.426 1.00 34.03 C ATOM 1375 CG GLU A 87 1.630 13.746 -12.693 1.00 74.41 C ATOM 1376 CD GLU A 87 1.784 14.667 -13.891 1.00 45.11 C ATOM 1377 OE1 GLU A 87 1.003 15.635 -14.008 1.00 31.33 O ATOM 1378 OE2 GLU A 87 2.682 14.419 -14.725 1.00 4.42 O ATOM 0 H GLU A 87 3.575 12.239 -11.574 1.00 32.24 H new ATOM 0 HA GLU A 87 2.852 13.717 -9.410 1.00 55.40 H new ATOM 0 HB2 GLU A 87 1.712 15.187 -11.107 1.00 34.03 H new ATOM 0 HB3 GLU A 87 3.282 14.636 -11.655 1.00 34.03 H new ATOM 0 HG2 GLU A 87 2.079 12.780 -12.924 1.00 74.41 H new ATOM 0 HG3 GLU A 87 0.570 13.569 -12.511 1.00 74.41 H new ATOM 1385 N ILE A 88 0.195 12.088 -10.463 1.00 63.41 N ATOM 1386 CA ILE A 88 -1.181 11.717 -10.098 1.00 45.43 C ATOM 1387 C ILE A 88 -1.216 10.634 -9.003 1.00 43.11 C ATOM 1388 O ILE A 88 -2.224 9.948 -8.824 1.00 60.01 O ATOM 1389 CB ILE A 88 -1.968 11.215 -11.335 1.00 72.40 C ATOM 1390 CG1 ILE A 88 -1.279 9.984 -11.953 1.00 32.42 C ATOM 1391 CG2 ILE A 88 -2.109 12.335 -12.365 1.00 52.33 C ATOM 1392 CD1 ILE A 88 -2.035 9.374 -13.115 1.00 51.41 C ATOM 0 H ILE A 88 0.556 11.600 -11.283 1.00 63.41 H new ATOM 0 HA ILE A 88 -1.652 12.619 -9.707 1.00 45.43 H new ATOM 0 HB ILE A 88 -2.966 10.917 -11.014 1.00 72.40 H new ATOM 0 HG12 ILE A 88 -0.283 10.269 -12.291 1.00 32.42 H new ATOM 0 HG13 ILE A 88 -1.149 9.227 -11.180 1.00 32.42 H new ATOM 0 HG21 ILE A 88 -2.664 11.968 -13.228 1.00 52.33 H new ATOM 0 HG22 ILE A 88 -2.644 13.174 -11.920 1.00 52.33 H new ATOM 0 HG23 ILE A 88 -1.120 12.664 -12.683 1.00 52.33 H new ATOM 0 HD11 ILE A 88 -1.485 8.513 -13.495 1.00 51.41 H new ATOM 0 HD12 ILE A 88 -3.022 9.056 -12.780 1.00 51.41 H new ATOM 0 HD13 ILE A 88 -2.142 10.114 -13.908 1.00 51.41 H new ATOM 1404 N GLY A 89 -0.117 10.501 -8.262 1.00 4.32 N ATOM 1405 CA GLY A 89 -0.008 9.470 -7.236 1.00 4.25 C ATOM 1406 C GLY A 89 0.024 8.061 -7.814 1.00 62.13 C ATOM 1407 O GLY A 89 -0.600 7.148 -7.280 1.00 23.24 O ATOM 0 H GLY A 89 0.708 11.094 -8.354 1.00 4.32 H new ATOM 0 HA2 GLY A 89 0.897 9.639 -6.653 1.00 4.25 H new ATOM 0 HA3 GLY A 89 -0.850 9.557 -6.550 1.00 4.25 H new ATOM 1411 N LYS A 90 0.766 7.878 -8.904 1.00 41.00 N ATOM 1412 CA LYS A 90 0.806 6.580 -9.600 1.00 20.23 C ATOM 1413 C LYS A 90 2.201 5.943 -9.526 1.00 23.34 C ATOM 1414 O LYS A 90 3.204 6.596 -9.804 1.00 74.10 O ATOM 1415 CB LYS A 90 0.386 6.755 -11.067 1.00 51.44 C ATOM 1416 CG LYS A 90 0.337 5.449 -11.861 1.00 43.12 C ATOM 1417 CD LYS A 90 -0.056 5.677 -13.321 1.00 71.12 C ATOM 1418 CE LYS A 90 0.938 6.580 -14.041 1.00 11.41 C ATOM 1419 NZ LYS A 90 0.556 6.808 -15.457 1.00 64.14 N ATOM 0 H LYS A 90 1.346 8.602 -9.327 1.00 41.00 H new ATOM 0 HA LYS A 90 0.105 5.912 -9.099 1.00 20.23 H new ATOM 0 HB2 LYS A 90 -0.597 7.225 -11.099 1.00 51.44 H new ATOM 0 HB3 LYS A 90 1.082 7.438 -11.554 1.00 51.44 H new ATOM 0 HG2 LYS A 90 1.312 4.964 -11.820 1.00 43.12 H new ATOM 0 HG3 LYS A 90 -0.377 4.769 -11.396 1.00 43.12 H new ATOM 0 HD2 LYS A 90 -0.114 4.718 -13.836 1.00 71.12 H new ATOM 0 HD3 LYS A 90 -1.050 6.123 -13.364 1.00 71.12 H new ATOM 0 HE2 LYS A 90 0.999 7.537 -13.523 1.00 11.41 H new ATOM 0 HE3 LYS A 90 1.931 6.132 -14.001 1.00 11.41 H new ATOM 0 HZ1 LYS A 90 1.258 7.427 -15.911 1.00 64.14 H new ATOM 0 HZ2 LYS A 90 0.522 5.897 -15.958 1.00 64.14 H new ATOM 0 HZ3 LYS A 90 -0.380 7.260 -15.496 1.00 64.14 H new ATOM 1433 N ILE A 91 2.258 4.664 -9.163 1.00 73.10 N ATOM 1434 CA ILE A 91 3.530 3.937 -9.048 1.00 12.35 C ATOM 1435 C ILE A 91 3.612 2.802 -10.080 1.00 61.35 C ATOM 1436 O ILE A 91 2.696 1.984 -10.195 1.00 71.23 O ATOM 1437 CB ILE A 91 3.707 3.339 -7.626 1.00 33.34 C ATOM 1438 CG1 ILE A 91 3.633 4.447 -6.561 1.00 22.33 C ATOM 1439 CG2 ILE A 91 5.029 2.572 -7.516 1.00 50.13 C ATOM 1440 CD1 ILE A 91 3.776 3.939 -5.140 1.00 24.24 C ATOM 0 H ILE A 91 1.436 4.103 -8.941 1.00 73.10 H new ATOM 0 HA ILE A 91 4.327 4.656 -9.237 1.00 12.35 H new ATOM 0 HB ILE A 91 2.893 2.636 -7.450 1.00 33.34 H new ATOM 0 HG12 ILE A 91 4.417 5.179 -6.756 1.00 22.33 H new ATOM 0 HG13 ILE A 91 2.680 4.967 -6.657 1.00 22.33 H new ATOM 0 HG21 ILE A 91 5.130 2.163 -6.511 1.00 50.13 H new ATOM 0 HG22 ILE A 91 5.039 1.759 -8.242 1.00 50.13 H new ATOM 0 HG23 ILE A 91 5.860 3.248 -7.717 1.00 50.13 H new ATOM 0 HD11 ILE A 91 3.714 4.777 -4.446 1.00 24.24 H new ATOM 0 HD12 ILE A 91 2.977 3.230 -4.925 1.00 24.24 H new ATOM 0 HD13 ILE A 91 4.741 3.444 -5.026 1.00 24.24 H new ATOM 1452 N ALA A 92 4.712 2.750 -10.827 1.00 51.11 N ATOM 1453 CA ALA A 92 4.918 1.687 -11.812 1.00 24.40 C ATOM 1454 C ALA A 92 5.222 0.345 -11.126 1.00 2.42 C ATOM 1455 O ALA A 92 6.355 0.087 -10.707 1.00 41.40 O ATOM 1456 CB ALA A 92 6.043 2.063 -12.770 1.00 75.32 C ATOM 0 H ALA A 92 5.472 3.427 -10.771 1.00 51.11 H new ATOM 0 HA ALA A 92 3.996 1.571 -12.381 1.00 24.40 H new ATOM 0 HB1 ALA A 92 6.185 1.263 -13.497 1.00 75.32 H new ATOM 0 HB2 ALA A 92 5.784 2.985 -13.291 1.00 75.32 H new ATOM 0 HB3 ALA A 92 6.965 2.210 -12.208 1.00 75.32 H new ATOM 1462 N LEU A 93 4.205 -0.504 -11.003 1.00 43.31 N ATOM 1463 CA LEU A 93 4.364 -1.817 -10.372 1.00 72.42 C ATOM 1464 C LEU A 93 5.470 -2.638 -11.048 1.00 63.41 C ATOM 1465 O LEU A 93 6.227 -3.334 -10.382 1.00 20.31 O ATOM 1466 CB LEU A 93 3.036 -2.589 -10.396 1.00 62.34 C ATOM 1467 CG LEU A 93 1.920 -1.997 -9.515 1.00 42.22 C ATOM 1468 CD1 LEU A 93 0.626 -2.797 -9.658 1.00 12.54 C ATOM 1469 CD2 LEU A 93 2.358 -1.950 -8.052 1.00 15.30 C ATOM 0 H LEU A 93 3.259 -0.308 -11.332 1.00 43.31 H new ATOM 0 HA LEU A 93 4.659 -1.652 -9.336 1.00 72.42 H new ATOM 0 HB2 LEU A 93 2.679 -2.635 -11.425 1.00 62.34 H new ATOM 0 HB3 LEU A 93 3.224 -3.614 -10.077 1.00 62.34 H new ATOM 0 HG LEU A 93 1.729 -0.979 -9.854 1.00 42.22 H new ATOM 0 HD11 LEU A 93 -0.145 -2.358 -9.025 1.00 12.54 H new ATOM 0 HD12 LEU A 93 0.298 -2.776 -10.697 1.00 12.54 H new ATOM 0 HD13 LEU A 93 0.801 -3.829 -9.353 1.00 12.54 H new ATOM 0 HD21 LEU A 93 1.556 -1.529 -7.446 1.00 15.30 H new ATOM 0 HD22 LEU A 93 2.582 -2.959 -7.707 1.00 15.30 H new ATOM 0 HD23 LEU A 93 3.248 -1.328 -7.959 1.00 15.30 H new ATOM 1481 N ARG A 94 5.589 -2.514 -12.367 1.00 31.43 N ATOM 1482 CA ARG A 94 6.600 -3.257 -13.131 1.00 54.51 C ATOM 1483 C ARG A 94 8.029 -3.079 -12.576 1.00 62.44 C ATOM 1484 O ARG A 94 8.908 -3.896 -12.856 1.00 31.45 O ATOM 1485 CB ARG A 94 6.545 -2.847 -14.607 1.00 44.33 C ATOM 1486 CG ARG A 94 5.248 -3.260 -15.297 1.00 61.30 C ATOM 1487 CD ARG A 94 5.093 -4.778 -15.346 1.00 55.24 C ATOM 1488 NE ARG A 94 3.754 -5.183 -15.777 1.00 71.11 N ATOM 1489 CZ ARG A 94 3.515 -6.103 -16.675 1.00 15.22 C ATOM 1490 NH1 ARG A 94 4.488 -6.702 -17.284 1.00 21.22 N ATOM 1491 NH2 ARG A 94 2.296 -6.418 -16.964 1.00 21.13 N ATOM 0 H ARG A 94 4.999 -1.906 -12.935 1.00 31.43 H new ATOM 0 HA ARG A 94 6.360 -4.316 -13.032 1.00 54.51 H new ATOM 0 HB2 ARG A 94 6.661 -1.766 -14.682 1.00 44.33 H new ATOM 0 HB3 ARG A 94 7.388 -3.295 -15.134 1.00 44.33 H new ATOM 0 HG2 ARG A 94 4.400 -2.825 -14.768 1.00 61.30 H new ATOM 0 HG3 ARG A 94 5.232 -2.860 -16.311 1.00 61.30 H new ATOM 0 HD2 ARG A 94 5.834 -5.195 -16.028 1.00 55.24 H new ATOM 0 HD3 ARG A 94 5.297 -5.194 -14.360 1.00 55.24 H new ATOM 0 HE ARG A 94 2.954 -4.717 -15.348 1.00 71.11 H new ATOM 0 HH11 ARG A 94 5.454 -6.458 -17.065 1.00 21.22 H new ATOM 0 HH12 ARG A 94 4.289 -7.418 -17.983 1.00 21.22 H new ATOM 0 HH21 ARG A 94 1.523 -5.949 -16.492 1.00 21.13 H new ATOM 0 HH22 ARG A 94 2.107 -7.135 -17.664 1.00 21.13 H new ATOM 1505 N LYS A 95 8.267 -2.020 -11.793 1.00 13.32 N ATOM 1506 CA LYS A 95 9.580 -1.816 -11.161 1.00 42.44 C ATOM 1507 C LYS A 95 9.520 -1.965 -9.622 1.00 12.31 C ATOM 1508 O LYS A 95 10.389 -2.598 -9.023 1.00 1.30 O ATOM 1509 CB LYS A 95 10.166 -0.445 -11.551 1.00 70.10 C ATOM 1510 CG LYS A 95 9.264 0.743 -11.227 1.00 2.20 C ATOM 1511 CD LYS A 95 9.943 2.083 -11.522 1.00 34.04 C ATOM 1512 CE LYS A 95 10.263 2.260 -13.003 1.00 4.42 C ATOM 1513 NZ LYS A 95 10.898 3.578 -13.280 1.00 71.43 N ATOM 0 H LYS A 95 7.578 -1.298 -11.582 1.00 13.32 H new ATOM 0 HA LYS A 95 10.239 -2.600 -11.534 1.00 42.44 H new ATOM 0 HB2 LYS A 95 11.119 -0.312 -11.039 1.00 70.10 H new ATOM 0 HB3 LYS A 95 10.376 -0.445 -12.621 1.00 70.10 H new ATOM 0 HG2 LYS A 95 8.345 0.668 -11.808 1.00 2.20 H new ATOM 0 HG3 LYS A 95 8.980 0.705 -10.175 1.00 2.20 H new ATOM 0 HD2 LYS A 95 9.295 2.896 -11.194 1.00 34.04 H new ATOM 0 HD3 LYS A 95 10.864 2.156 -10.943 1.00 34.04 H new ATOM 0 HE2 LYS A 95 10.929 1.461 -13.329 1.00 4.42 H new ATOM 0 HE3 LYS A 95 9.346 2.169 -13.586 1.00 4.42 H new ATOM 0 HZ1 LYS A 95 10.899 3.754 -14.305 1.00 71.43 H new ATOM 0 HZ2 LYS A 95 10.362 4.329 -12.800 1.00 71.43 H new ATOM 0 HZ3 LYS A 95 11.877 3.572 -12.929 1.00 71.43 H new ATOM 1527 N TYR A 96 8.487 -1.404 -8.981 1.00 64.34 N ATOM 1528 CA TYR A 96 8.404 -1.405 -7.503 1.00 10.32 C ATOM 1529 C TYR A 96 7.572 -2.567 -6.930 1.00 3.42 C ATOM 1530 O TYR A 96 7.287 -2.589 -5.729 1.00 65.22 O ATOM 1531 CB TYR A 96 7.846 -0.068 -6.996 1.00 3.42 C ATOM 1532 CG TYR A 96 8.847 1.068 -7.072 1.00 73.41 C ATOM 1533 CD1 TYR A 96 9.885 1.159 -6.150 1.00 4.44 C ATOM 1534 CD2 TYR A 96 8.758 2.040 -8.058 1.00 11.32 C ATOM 1535 CE1 TYR A 96 10.804 2.187 -6.213 1.00 70.22 C ATOM 1536 CE2 TYR A 96 9.675 3.069 -8.127 1.00 15.35 C ATOM 1537 CZ TYR A 96 10.696 3.138 -7.202 1.00 25.01 C ATOM 1538 OH TYR A 96 11.612 4.165 -7.270 1.00 15.50 O ATOM 0 H TYR A 96 7.704 -0.948 -9.449 1.00 64.34 H new ATOM 0 HA TYR A 96 9.424 -1.546 -7.147 1.00 10.32 H new ATOM 0 HB2 TYR A 96 6.964 0.195 -7.580 1.00 3.42 H new ATOM 0 HB3 TYR A 96 7.520 -0.187 -5.963 1.00 3.42 H new ATOM 0 HD1 TYR A 96 9.973 0.414 -5.373 1.00 4.44 H new ATOM 0 HD2 TYR A 96 7.959 1.991 -8.783 1.00 11.32 H new ATOM 0 HE1 TYR A 96 11.604 2.245 -5.490 1.00 70.22 H new ATOM 0 HE2 TYR A 96 9.594 3.817 -8.902 1.00 15.35 H new ATOM 0 HH TYR A 96 11.547 4.604 -8.144 1.00 15.50 H new ATOM 1548 N LYS A 97 7.187 -3.528 -7.767 1.00 2.42 N ATOM 1549 CA LYS A 97 6.455 -4.710 -7.287 1.00 33.31 C ATOM 1550 C LYS A 97 7.331 -5.583 -6.376 1.00 2.40 C ATOM 1551 O LYS A 97 8.518 -5.791 -6.644 1.00 4.23 O ATOM 1552 CB LYS A 97 5.926 -5.550 -8.462 1.00 4.51 C ATOM 1553 CG LYS A 97 7.001 -6.012 -9.442 1.00 73.14 C ATOM 1554 CD LYS A 97 6.393 -6.714 -10.655 1.00 61.12 C ATOM 1555 CE LYS A 97 7.437 -6.986 -11.730 1.00 71.14 C ATOM 1556 NZ LYS A 97 8.510 -7.900 -11.261 1.00 65.52 N ATOM 0 H LYS A 97 7.365 -3.518 -8.771 1.00 2.42 H new ATOM 0 HA LYS A 97 5.608 -4.346 -6.705 1.00 33.31 H new ATOM 0 HB2 LYS A 97 5.413 -6.426 -8.065 1.00 4.51 H new ATOM 0 HB3 LYS A 97 5.184 -4.965 -9.005 1.00 4.51 H new ATOM 0 HG2 LYS A 97 7.585 -5.153 -9.773 1.00 73.14 H new ATOM 0 HG3 LYS A 97 7.689 -6.690 -8.936 1.00 73.14 H new ATOM 0 HD2 LYS A 97 5.940 -7.654 -10.342 1.00 61.12 H new ATOM 0 HD3 LYS A 97 5.595 -6.098 -11.070 1.00 61.12 H new ATOM 0 HE2 LYS A 97 6.950 -7.420 -12.603 1.00 71.14 H new ATOM 0 HE3 LYS A 97 7.881 -6.043 -12.048 1.00 71.14 H new ATOM 0 HZ1 LYS A 97 9.167 -8.094 -12.043 1.00 65.52 H new ATOM 0 HZ2 LYS A 97 9.027 -7.454 -10.477 1.00 65.52 H new ATOM 0 HZ3 LYS A 97 8.088 -8.792 -10.934 1.00 65.52 H new ATOM 1570 N TRP A 98 6.739 -6.077 -5.293 1.00 31.14 N ATOM 1571 CA TRP A 98 7.443 -6.945 -4.345 1.00 30.03 C ATOM 1572 C TRP A 98 7.296 -8.432 -4.719 1.00 60.44 C ATOM 1573 O TRP A 98 6.240 -8.871 -5.185 1.00 63.20 O ATOM 1574 CB TRP A 98 6.917 -6.700 -2.919 1.00 4.32 C ATOM 1575 CG TRP A 98 7.463 -7.657 -1.894 1.00 53.44 C ATOM 1576 CD1 TRP A 98 8.768 -8.016 -1.716 1.00 72.35 C ATOM 1577 CD2 TRP A 98 6.715 -8.367 -0.898 1.00 42.43 C ATOM 1578 NE1 TRP A 98 8.874 -8.918 -0.688 1.00 14.52 N ATOM 1579 CE2 TRP A 98 7.629 -9.145 -0.163 1.00 72.40 C ATOM 1580 CE3 TRP A 98 5.361 -8.422 -0.557 1.00 20.53 C ATOM 1581 CZ2 TRP A 98 7.235 -9.966 0.890 1.00 73.30 C ATOM 1582 CZ3 TRP A 98 4.970 -9.237 0.489 1.00 14.32 C ATOM 1583 CH2 TRP A 98 5.904 -9.999 1.202 1.00 23.21 C ATOM 0 H TRP A 98 5.767 -5.891 -5.046 1.00 31.14 H new ATOM 0 HA TRP A 98 8.504 -6.698 -4.387 1.00 30.03 H new ATOM 0 HB2 TRP A 98 7.167 -5.682 -2.620 1.00 4.32 H new ATOM 0 HB3 TRP A 98 5.829 -6.772 -2.926 1.00 4.32 H new ATOM 0 HD1 TRP A 98 9.597 -7.644 -2.300 1.00 72.35 H new ATOM 0 HE1 TRP A 98 9.740 -9.350 -0.366 1.00 14.52 H new ATOM 0 HE3 TRP A 98 4.633 -7.838 -1.101 1.00 20.53 H new ATOM 0 HZ2 TRP A 98 7.954 -10.555 1.440 1.00 73.30 H new ATOM 0 HZ3 TRP A 98 3.926 -9.287 0.761 1.00 14.32 H new ATOM 0 HH2 TRP A 98 5.566 -10.625 2.015 1.00 23.21 H new ATOM 1594 N GLN A 99 8.367 -9.195 -4.515 1.00 73.15 N ATOM 1595 CA GLN A 99 8.363 -10.643 -4.749 1.00 43.52 C ATOM 1596 C GLN A 99 8.352 -11.420 -3.416 1.00 63.35 C ATOM 1597 O GLN A 99 9.396 -11.609 -2.790 1.00 52.32 O ATOM 1598 CB GLN A 99 9.594 -11.036 -5.581 1.00 41.04 C ATOM 1599 CG GLN A 99 9.746 -12.539 -5.800 1.00 61.41 C ATOM 1600 CD GLN A 99 11.018 -12.896 -6.551 1.00 65.40 C ATOM 1601 OE1 GLN A 99 12.068 -13.106 -5.959 1.00 34.14 O ATOM 1602 NE2 GLN A 99 10.938 -12.959 -7.861 1.00 2.23 N ATOM 0 H GLN A 99 9.261 -8.832 -4.184 1.00 73.15 H new ATOM 0 HA GLN A 99 7.457 -10.902 -5.297 1.00 43.52 H new ATOM 0 HB2 GLN A 99 9.536 -10.543 -6.551 1.00 41.04 H new ATOM 0 HB3 GLN A 99 10.489 -10.660 -5.085 1.00 41.04 H new ATOM 0 HG2 GLN A 99 9.745 -13.045 -4.834 1.00 61.41 H new ATOM 0 HG3 GLN A 99 8.885 -12.910 -6.355 1.00 61.41 H new ATOM 0 HE21 GLN A 99 10.049 -12.779 -8.327 1.00 2.23 H new ATOM 0 HE22 GLN A 99 11.765 -13.188 -8.412 1.00 2.23 H new ATOM 1611 N PRO A 100 7.160 -11.849 -2.947 1.00 33.24 N ATOM 1612 CA PRO A 100 7.034 -12.653 -1.716 1.00 55.45 C ATOM 1613 C PRO A 100 7.764 -14.001 -1.810 1.00 40.05 C ATOM 1614 O PRO A 100 8.423 -14.432 -0.863 1.00 23.25 O ATOM 1615 CB PRO A 100 5.516 -12.870 -1.578 1.00 45.42 C ATOM 1616 CG PRO A 100 4.892 -11.802 -2.415 1.00 34.32 C ATOM 1617 CD PRO A 100 5.850 -11.558 -3.551 1.00 2.55 C ATOM 0 HA PRO A 100 7.485 -12.150 -0.861 1.00 55.45 H new ATOM 0 HB2 PRO A 100 5.227 -13.862 -1.925 1.00 45.42 H new ATOM 0 HB3 PRO A 100 5.200 -12.791 -0.538 1.00 45.42 H new ATOM 0 HG2 PRO A 100 3.917 -12.116 -2.787 1.00 34.32 H new ATOM 0 HG3 PRO A 100 4.734 -10.893 -1.835 1.00 34.32 H new ATOM 0 HD2 PRO A 100 5.643 -12.209 -4.400 1.00 2.55 H new ATOM 0 HD3 PRO A 100 5.792 -10.532 -3.915 1.00 2.55 H new ATOM 1625 N LEU A 101 7.634 -14.666 -2.958 1.00 12.32 N ATOM 1626 CA LEU A 101 8.285 -15.962 -3.191 1.00 42.51 C ATOM 1627 C LEU A 101 9.020 -15.977 -4.541 1.00 75.21 C ATOM 1628 O LEU A 101 10.249 -16.047 -4.591 1.00 33.34 O ATOM 1629 CB LEU A 101 7.250 -17.102 -3.146 1.00 54.11 C ATOM 1630 CG LEU A 101 6.518 -17.288 -1.804 1.00 73.31 C ATOM 1631 CD1 LEU A 101 5.455 -18.380 -1.912 1.00 44.02 C ATOM 1632 CD2 LEU A 101 7.510 -17.606 -0.685 1.00 13.32 C ATOM 0 H LEU A 101 7.082 -14.329 -3.747 1.00 12.32 H new ATOM 0 HA LEU A 101 9.017 -16.114 -2.398 1.00 42.51 H new ATOM 0 HB2 LEU A 101 6.506 -16.923 -3.923 1.00 54.11 H new ATOM 0 HB3 LEU A 101 7.754 -18.036 -3.396 1.00 54.11 H new ATOM 0 HG LEU A 101 6.018 -16.351 -1.558 1.00 73.31 H new ATOM 0 HD11 LEU A 101 4.951 -18.494 -0.952 1.00 44.02 H new ATOM 0 HD12 LEU A 101 4.726 -18.104 -2.674 1.00 44.02 H new ATOM 0 HD13 LEU A 101 5.928 -19.323 -2.187 1.00 44.02 H new ATOM 0 HD21 LEU A 101 6.971 -17.733 0.254 1.00 13.32 H new ATOM 0 HD22 LEU A 101 8.045 -18.525 -0.924 1.00 13.32 H new ATOM 0 HD23 LEU A 101 8.222 -16.787 -0.586 1.00 13.32 H new ATOM 1644 N GLU A 102 8.255 -15.903 -5.629 1.00 44.23 N ATOM 1645 CA GLU A 102 8.819 -15.934 -6.987 1.00 13.12 C ATOM 1646 C GLU A 102 8.019 -15.048 -7.965 1.00 54.31 C ATOM 1647 O GLU A 102 6.792 -14.882 -7.771 1.00 37.91 O ATOM 1648 CB GLU A 102 8.913 -17.392 -7.491 1.00 61.22 C ATOM 1649 CG GLU A 102 7.606 -18.192 -7.427 1.00 24.12 C ATOM 1650 CD GLU A 102 6.704 -17.987 -8.638 1.00 33.15 C ATOM 1651 OE1 GLU A 102 7.136 -18.320 -9.764 1.00 4.31 O ATOM 1652 OE2 GLU A 102 5.553 -17.524 -8.472 1.00 42.11 O ATOM 0 H GLU A 102 7.239 -15.821 -5.601 1.00 44.23 H new ATOM 0 HA GLU A 102 9.825 -15.517 -6.943 1.00 13.12 H new ATOM 0 HB2 GLU A 102 9.263 -17.381 -8.523 1.00 61.22 H new ATOM 0 HB3 GLU A 102 9.669 -17.914 -6.904 1.00 61.22 H new ATOM 0 HG2 GLU A 102 7.843 -19.252 -7.337 1.00 24.12 H new ATOM 0 HG3 GLU A 102 7.061 -17.909 -6.527 1.00 24.12 H new TER 1659 GLU A 102