USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -79:sc= 0.766 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -0.869 F(o=-2.1,f=-0.1) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.6) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -169:sc= 0.741 (180deg=-0.857) USER MOD Set 3.2: A 58 THR OG1 : rot 66:sc= 1.07 USER MOD Set 4.1: A 31 ASN : amide:sc= -10.8! C(o=-24!,f=-26!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -13.1! C(o=-24!,f=-35!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= -0.211 (180deg=-1.29!) USER MOD Single : A 12 GLN :FLIP amide:sc= -4.15! C(o=-4.8!,f=-4.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0504 USER MOD Single : A 16 GLN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.466 USER MOD Single : A 18 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-5.8!) USER MOD Single : A 19 THR OG1 : rot -144:sc= 0.00369 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.125) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.816 K(o=-0.82,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 92:sc= -0.746 USER MOD Single : A 42 GLN :FLIP amide:sc= 0.225 F(o=-4.1!,f=0.23) USER MOD Single : A 47 THR OG1 : rot 29:sc= 0.395 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.75 USER MOD Single : A 49 THR OG1 : rot -69:sc= -0.0549 USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.178 (180deg=-1.15) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.29! C(o=-9.7!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0416) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 91:sc= -3.08! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 45:sc= 1.38 USER MOD Single : A 70 ASN : amide:sc= -5.89! C(o=-5.9!,f=-8.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 144:sc= 0 (180deg=-0.155) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= 0.0915 (180deg=-0.13) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 0.789 (180deg=0.678) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.469 (180deg=-0.869) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.378 8.412 -8.744 1.00 0.00 N ATOM 11 CA ASP A 2 73.860 7.614 -9.851 1.00 0.00 C ATOM 12 C ASP A 2 74.229 6.148 -9.678 1.00 0.00 C ATOM 13 O ASP A 2 75.227 5.680 -10.222 1.00 0.00 O ATOM 14 CB ASP A 2 74.422 8.126 -11.175 1.00 0.00 C ATOM 15 CG ASP A 2 73.916 9.539 -11.446 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.368 10.449 -10.769 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.083 9.691 -12.325 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.774 7.706 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.512 8.121 -11.143 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.124 7.462 -11.987 1.00 0.00 H new ATOM 22 N VAL A 3 73.410 5.428 -8.923 1.00 0.00 N ATOM 23 CA VAL A 3 73.646 4.011 -8.689 1.00 0.00 C ATOM 24 C VAL A 3 74.000 3.311 -9.997 1.00 0.00 C ATOM 25 O VAL A 3 74.598 2.234 -9.997 1.00 0.00 O ATOM 26 CB VAL A 3 72.391 3.378 -8.081 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.177 3.722 -8.946 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.555 1.858 -8.018 1.00 0.00 C ATOM 0 H VAL A 3 72.579 5.801 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 3 74.481 3.898 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 3 72.245 3.767 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.283 3.272 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.055 4.804 -8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.327 3.335 -9.954 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.659 1.413 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.704 1.466 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.418 1.610 -7.400 1.00 0.00 H new ATOM 38 N GLU A 4 73.627 3.932 -11.114 1.00 0.00 N ATOM 39 CA GLU A 4 73.911 3.355 -12.424 1.00 0.00 C ATOM 40 C GLU A 4 75.394 3.478 -12.761 1.00 0.00 C ATOM 41 O GLU A 4 76.074 2.475 -12.986 1.00 0.00 O ATOM 42 CB GLU A 4 73.080 4.064 -13.497 1.00 0.00 C ATOM 43 CG GLU A 4 71.626 3.596 -13.413 1.00 0.00 C ATOM 44 CD GLU A 4 71.489 2.204 -14.023 1.00 0.00 C ATOM 45 OE1 GLU A 4 72.507 1.630 -14.374 1.00 0.00 O ATOM 46 OE2 GLU A 4 70.368 1.734 -14.130 1.00 0.00 O1- ATOM 0 H GLU A 4 73.133 4.824 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 4 73.647 2.298 -12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.134 5.144 -13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.485 3.849 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.300 3.580 -12.373 1.00 0.00 H new ATOM 0 HG3 GLU A 4 70.979 4.298 -13.939 1.00 0.00 H new ATOM 53 N LYS A 5 75.894 4.708 -12.784 1.00 0.00 N ATOM 54 CA LYS A 5 77.301 4.933 -13.087 1.00 0.00 C ATOM 55 C LYS A 5 78.159 4.441 -11.934 1.00 0.00 C ATOM 56 O LYS A 5 79.346 4.165 -12.103 1.00 0.00 O ATOM 57 CB LYS A 5 77.559 6.424 -13.336 1.00 0.00 C ATOM 58 CG LYS A 5 77.189 6.775 -14.780 1.00 0.00 C ATOM 59 CD LYS A 5 77.158 8.300 -14.952 1.00 0.00 C ATOM 60 CE LYS A 5 75.766 8.836 -14.609 1.00 0.00 C ATOM 61 NZ LYS A 5 75.855 10.292 -14.307 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.354 5.554 -12.599 1.00 0.00 H new ATOM 0 HA LYS A 5 77.562 4.379 -13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 5 76.971 7.026 -12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.608 6.658 -13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.913 6.337 -15.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.216 6.352 -15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.904 8.763 -14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.416 8.564 -15.978 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.084 8.668 -15.443 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.359 8.300 -13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.909 10.657 -14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.492 10.441 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.226 10.797 -15.137 1.00 0.00 H new ATOM 75 N GLY A 6 77.545 4.312 -10.765 1.00 0.00 N ATOM 76 CA GLY A 6 78.261 3.824 -9.599 1.00 0.00 C ATOM 77 C GLY A 6 78.566 2.349 -9.784 1.00 0.00 C ATOM 78 O GLY A 6 79.615 1.855 -9.369 1.00 0.00 O ATOM 0 H GLY A 6 76.563 4.536 -10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.186 4.385 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.663 3.974 -8.700 1.00 0.00 H new ATOM 82 N LYS A 7 77.636 1.656 -10.433 1.00 0.00 N ATOM 83 CA LYS A 7 77.800 0.238 -10.702 1.00 0.00 C ATOM 84 C LYS A 7 78.916 0.028 -11.719 1.00 0.00 C ATOM 85 O LYS A 7 79.743 -0.870 -11.572 1.00 0.00 O ATOM 86 CB LYS A 7 76.489 -0.339 -11.245 1.00 0.00 C ATOM 87 CG LYS A 7 76.657 -1.837 -11.541 1.00 0.00 C ATOM 88 CD LYS A 7 76.835 -2.055 -13.048 1.00 0.00 C ATOM 89 CE LYS A 7 76.878 -3.555 -13.349 1.00 0.00 C ATOM 90 NZ LYS A 7 75.489 -4.066 -13.527 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.764 2.055 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 7 78.062 -0.273 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.689 -0.191 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.198 0.189 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.521 -2.228 -11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.785 -2.387 -11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.014 -1.588 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.755 -1.579 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.463 -3.739 -14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.371 -4.086 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.518 -5.085 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.945 -3.903 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.034 -3.567 -14.318 1.00 0.00 H new ATOM 104 N LYS A 8 78.935 0.870 -12.751 1.00 0.00 N ATOM 105 CA LYS A 8 79.957 0.771 -13.788 1.00 0.00 C ATOM 106 C LYS A 8 81.355 0.913 -13.185 1.00 0.00 C ATOM 107 O LYS A 8 82.244 0.091 -13.428 1.00 0.00 O ATOM 108 CB LYS A 8 79.735 1.865 -14.838 1.00 0.00 C ATOM 109 CG LYS A 8 80.885 1.857 -15.859 1.00 0.00 C ATOM 110 CD LYS A 8 81.876 2.988 -15.548 1.00 0.00 C ATOM 111 CE LYS A 8 81.358 4.304 -16.135 1.00 0.00 C ATOM 112 NZ LYS A 8 81.213 4.167 -17.612 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.260 1.622 -12.890 1.00 0.00 H new ATOM 0 HA LYS A 8 79.880 -0.209 -14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.785 1.704 -15.347 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.676 2.839 -14.353 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.398 0.896 -15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.488 1.978 -16.867 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.005 3.085 -14.470 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.855 2.752 -15.966 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.398 4.561 -15.687 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.047 5.115 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.365 5.092 -18.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 81.916 3.488 -17.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 80.257 3.825 -17.837 1.00 0.00 H new ATOM 126 N ILE A 9 81.545 1.962 -12.395 1.00 0.00 N ATOM 127 CA ILE A 9 82.833 2.205 -11.765 1.00 0.00 C ATOM 128 C ILE A 9 83.176 1.079 -10.796 1.00 0.00 C ATOM 129 O ILE A 9 84.344 0.827 -10.518 1.00 0.00 O ATOM 130 CB ILE A 9 82.796 3.537 -11.010 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.491 4.671 -11.992 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.151 3.796 -10.346 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.197 5.954 -11.212 1.00 0.00 C ATOM 0 H ILE A 9 80.827 2.653 -12.177 1.00 0.00 H new ATOM 0 HA ILE A 9 83.597 2.245 -12.541 1.00 0.00 H new ATOM 0 HB ILE A 9 82.021 3.493 -10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.338 4.825 -12.661 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.636 4.407 -12.615 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.118 4.745 -9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.372 2.991 -9.645 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.928 3.837 -11.109 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.980 6.762 -11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.337 5.795 -10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.065 6.220 -10.608 1.00 0.00 H new ATOM 145 N PHE A 10 82.153 0.418 -10.271 1.00 0.00 N ATOM 146 CA PHE A 10 82.365 -0.664 -9.312 1.00 0.00 C ATOM 147 C PHE A 10 82.837 -1.951 -9.995 1.00 0.00 C ATOM 148 O PHE A 10 83.835 -2.543 -9.588 1.00 0.00 O ATOM 149 CB PHE A 10 81.062 -0.938 -8.548 1.00 0.00 C ATOM 150 CG PHE A 10 81.053 -2.365 -8.054 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.566 -3.387 -8.878 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.544 -2.668 -6.780 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.570 -4.711 -8.429 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.547 -3.995 -6.329 1.00 0.00 C ATOM 155 CZ PHE A 10 81.061 -5.016 -7.155 1.00 0.00 C ATOM 0 H PHE A 10 81.175 0.608 -10.489 1.00 0.00 H new ATOM 0 HA PHE A 10 83.147 -0.346 -8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.971 -0.251 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.204 -0.762 -9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.187 -3.152 -9.862 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.920 -1.880 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.194 -5.498 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.924 -4.230 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.065 -6.039 -6.809 1.00 0.00 H new ATOM 165 N VAL A 11 82.106 -2.389 -11.015 1.00 0.00 N ATOM 166 CA VAL A 11 82.457 -3.622 -11.716 1.00 0.00 C ATOM 167 C VAL A 11 83.895 -3.586 -12.205 1.00 0.00 C ATOM 168 O VAL A 11 84.547 -4.622 -12.325 1.00 0.00 O ATOM 169 CB VAL A 11 81.529 -3.841 -12.911 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.103 -4.067 -12.418 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.560 -2.611 -13.816 1.00 0.00 C ATOM 0 H VAL A 11 81.276 -1.916 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 11 82.344 -4.444 -11.009 1.00 0.00 H new ATOM 0 HB VAL A 11 81.864 -4.715 -13.470 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.443 -4.223 -13.272 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.076 -4.945 -11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.770 -3.194 -11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.898 -2.769 -14.667 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.227 -1.738 -13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.577 -2.447 -14.173 1.00 0.00 H new ATOM 181 N GLN A 12 84.374 -2.394 -12.518 1.00 0.00 N ATOM 182 CA GLN A 12 85.735 -2.252 -13.030 1.00 0.00 C ATOM 183 C GLN A 12 86.747 -1.900 -11.937 1.00 0.00 C ATOM 184 O GLN A 12 87.941 -2.146 -12.102 1.00 0.00 O ATOM 185 CB GLN A 12 85.772 -1.175 -14.117 1.00 0.00 C ATOM 186 CG GLN A 12 85.265 0.162 -13.559 1.00 0.00 C ATOM 187 CD GLN A 12 84.611 0.972 -14.671 1.00 0.00 C ATOM 188 OE1 GLN A 12 83.750 0.394 -15.460 1.00 0.00 O flip ATOM 189 NE2 GLN A 12 84.891 2.161 -14.824 1.00 0.00 N flip ATOM 0 H GLN A 12 83.854 -1.521 -12.430 1.00 0.00 H new ATOM 0 HA GLN A 12 86.020 -3.221 -13.440 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.790 -1.059 -14.489 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.156 -1.481 -14.963 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.548 -0.017 -12.757 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.093 0.723 -13.127 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.565 2.610 -14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 12 84.449 2.697 -15.570 1.00 0.00 H new ATOM 198 N LYS A 13 86.290 -1.294 -10.840 1.00 0.00 N ATOM 199 CA LYS A 13 87.217 -0.894 -9.774 1.00 0.00 C ATOM 200 C LYS A 13 87.228 -1.841 -8.568 1.00 0.00 C ATOM 201 O LYS A 13 88.268 -2.407 -8.235 1.00 0.00 O ATOM 202 CB LYS A 13 86.880 0.523 -9.293 1.00 0.00 C ATOM 203 CG LYS A 13 87.168 1.537 -10.415 1.00 0.00 C ATOM 204 CD LYS A 13 88.250 2.525 -9.966 1.00 0.00 C ATOM 205 CE LYS A 13 88.712 3.356 -11.163 1.00 0.00 C ATOM 206 NZ LYS A 13 89.555 4.489 -10.684 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.310 -1.073 -10.666 1.00 0.00 H new ATOM 0 HA LYS A 13 88.213 -0.934 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.831 0.578 -9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.470 0.767 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.493 1.014 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.256 2.076 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.859 3.178 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.094 1.985 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.279 2.733 -11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.849 3.736 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.870 5.055 -11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.999 5.087 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.385 4.116 -10.180 1.00 0.00 H new ATOM 220 N CYS A 14 86.096 -1.955 -7.875 1.00 0.00 N ATOM 221 CA CYS A 14 86.036 -2.776 -6.659 1.00 0.00 C ATOM 222 C CYS A 14 85.738 -4.254 -6.914 1.00 0.00 C ATOM 223 O CYS A 14 86.264 -5.115 -6.210 1.00 0.00 O ATOM 224 CB CYS A 14 84.987 -2.191 -5.710 1.00 0.00 C ATOM 225 SG CYS A 14 84.930 -0.386 -5.901 1.00 0.00 S ATOM 0 H CYS A 14 85.219 -1.499 -8.126 1.00 0.00 H new ATOM 0 HA CYS A 14 87.031 -2.746 -6.215 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.008 -2.620 -5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.230 -2.450 -4.679 1.00 0.00 H new ATOM 0 HG CYS A 14 84.037 0.108 -5.096 1.00 0.00 H new ATOM 230 N ALA A 15 84.898 -4.559 -7.889 1.00 0.00 N ATOM 231 CA ALA A 15 84.566 -5.956 -8.157 1.00 0.00 C ATOM 232 C ALA A 15 85.833 -6.808 -8.222 1.00 0.00 C ATOM 233 O ALA A 15 85.799 -8.009 -7.953 1.00 0.00 O ATOM 234 CB ALA A 15 83.802 -6.074 -9.474 1.00 0.00 C ATOM 0 H ALA A 15 84.441 -3.880 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 15 83.939 -6.319 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.561 -7.120 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.881 -5.494 -9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.418 -5.692 -10.288 1.00 0.00 H new ATOM 240 N GLN A 16 86.944 -6.179 -8.584 1.00 0.00 N ATOM 241 CA GLN A 16 88.217 -6.886 -8.691 1.00 0.00 C ATOM 242 C GLN A 16 88.474 -7.772 -7.469 1.00 0.00 C ATOM 243 O GLN A 16 88.516 -8.997 -7.586 1.00 0.00 O ATOM 244 CB GLN A 16 89.360 -5.871 -8.850 1.00 0.00 C ATOM 245 CG GLN A 16 89.766 -5.771 -10.324 1.00 0.00 C ATOM 246 CD GLN A 16 90.898 -4.763 -10.485 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.802 -3.844 -11.299 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.973 -4.880 -9.754 1.00 0.00 N ATOM 0 H GLN A 16 86.991 -5.185 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 16 88.172 -7.532 -9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.044 -4.894 -8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.216 -6.176 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 16 90.083 -6.748 -10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.909 -5.468 -10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 16 92.051 -5.642 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.735 -4.210 -9.857 1.00 0.00 H new ATOM 257 N CYS A 17 88.669 -7.153 -6.300 1.00 0.00 N ATOM 258 CA CYS A 17 88.947 -7.915 -5.079 1.00 0.00 C ATOM 259 C CYS A 17 87.854 -7.715 -4.023 1.00 0.00 C ATOM 260 O CYS A 17 88.155 -7.480 -2.853 1.00 0.00 O ATOM 261 CB CYS A 17 90.308 -7.495 -4.495 1.00 0.00 C ATOM 262 SG CYS A 17 91.299 -6.674 -5.770 1.00 0.00 S ATOM 0 H CYS A 17 88.640 -6.141 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 17 88.968 -8.971 -5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.159 -6.824 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.837 -8.370 -4.118 1.00 0.00 H new ATOM 0 HG CYS A 17 92.445 -6.321 -5.268 1.00 0.00 H new ATOM 267 N HIS A 18 86.592 -7.822 -4.430 1.00 0.00 N ATOM 268 CA HIS A 18 85.488 -7.660 -3.482 1.00 0.00 C ATOM 269 C HIS A 18 84.245 -8.409 -3.959 1.00 0.00 C ATOM 270 O HIS A 18 84.271 -9.089 -4.985 1.00 0.00 O ATOM 271 CB HIS A 18 85.152 -6.177 -3.300 1.00 0.00 C ATOM 272 CG HIS A 18 86.176 -5.526 -2.407 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.800 -6.201 -1.366 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.689 -4.255 -2.387 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.646 -5.336 -0.772 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.614 -4.137 -1.357 1.00 0.00 N ATOM 0 H HIS A 18 86.309 -8.016 -5.390 1.00 0.00 H new ATOM 0 HA HIS A 18 85.805 -8.078 -2.526 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.132 -5.678 -4.269 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.158 -6.071 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.415 -3.464 -3.069 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.272 -5.583 0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.154 -3.310 -1.102 1.00 0.00 H new ATOM 284 N THR A 19 83.161 -8.285 -3.196 1.00 0.00 N ATOM 285 CA THR A 19 81.910 -8.958 -3.530 1.00 0.00 C ATOM 286 C THR A 19 80.719 -8.020 -3.319 1.00 0.00 C ATOM 287 O THR A 19 79.772 -8.016 -4.105 1.00 0.00 O ATOM 288 CB THR A 19 81.760 -10.206 -2.649 1.00 0.00 C ATOM 289 OG1 THR A 19 83.032 -10.559 -2.123 1.00 0.00 O ATOM 290 CG2 THR A 19 81.218 -11.370 -3.477 1.00 0.00 C ATOM 0 H THR A 19 83.125 -7.725 -2.344 1.00 0.00 H new ATOM 0 HA THR A 19 81.931 -9.249 -4.580 1.00 0.00 H new ATOM 0 HB THR A 19 81.065 -9.991 -1.837 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.109 -11.535 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.115 -12.251 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.244 -11.102 -3.887 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.907 -11.589 -4.292 1.00 0.00 H new ATOM 298 N VAL A 20 80.783 -7.230 -2.252 1.00 0.00 N ATOM 299 CA VAL A 20 79.721 -6.279 -1.926 1.00 0.00 C ATOM 300 C VAL A 20 78.335 -6.887 -2.128 1.00 0.00 C ATOM 301 O VAL A 20 77.391 -6.180 -2.478 1.00 0.00 O ATOM 302 CB VAL A 20 79.858 -5.011 -2.776 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.266 -4.433 -2.616 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.616 -5.338 -4.248 1.00 0.00 C ATOM 0 H VAL A 20 81.562 -7.228 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 20 79.828 -6.023 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 20 79.120 -4.282 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.360 -3.532 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.441 -4.187 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.001 -5.169 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.716 -4.430 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.348 -6.074 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.612 -5.744 -4.370 1.00 0.00 H new ATOM 314 N GLU A 21 78.209 -8.191 -1.894 1.00 0.00 N ATOM 315 CA GLU A 21 76.919 -8.862 -2.048 1.00 0.00 C ATOM 316 C GLU A 21 76.609 -9.713 -0.818 1.00 0.00 C ATOM 317 O GLU A 21 77.320 -10.671 -0.514 1.00 0.00 O ATOM 318 CB GLU A 21 76.915 -9.728 -3.315 1.00 0.00 C ATOM 319 CG GLU A 21 77.663 -11.040 -3.063 1.00 0.00 C ATOM 320 CD GLU A 21 78.028 -11.693 -4.392 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.597 -11.189 -5.415 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.733 -12.688 -4.366 1.00 0.00 O ATOM 0 H GLU A 21 78.974 -8.799 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 21 76.143 -8.102 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.889 -9.938 -3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.384 -9.186 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.565 -10.849 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.042 -11.715 -2.474 1.00 0.00 H new ATOM 329 N LYS A 22 75.547 -9.346 -0.110 1.00 0.00 N ATOM 330 CA LYS A 22 75.148 -10.068 1.093 1.00 0.00 C ATOM 331 C LYS A 22 75.168 -11.576 0.855 1.00 0.00 C ATOM 332 O LYS A 22 74.902 -12.045 -0.252 1.00 0.00 O ATOM 333 CB LYS A 22 73.743 -9.635 1.515 1.00 0.00 C ATOM 334 CG LYS A 22 73.264 -10.502 2.687 1.00 0.00 C ATOM 335 CD LYS A 22 72.240 -9.724 3.517 1.00 0.00 C ATOM 336 CE LYS A 22 71.404 -10.699 4.351 1.00 0.00 C ATOM 337 NZ LYS A 22 70.387 -11.352 3.480 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.948 -8.555 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 22 75.858 -9.832 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.748 -8.584 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.055 -9.730 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.819 -11.424 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.111 -10.788 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.750 -9.016 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 22 71.592 -9.143 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.049 -11.453 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 22 70.913 -10.168 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.648 -11.782 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 69.959 -10.641 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 70.843 -12.090 2.906 1.00 0.00 H new ATOM 351 N GLY A 23 75.480 -12.328 1.906 1.00 0.00 N ATOM 352 CA GLY A 23 75.526 -13.783 1.813 1.00 0.00 C ATOM 353 C GLY A 23 76.374 -14.239 0.630 1.00 0.00 C ATOM 354 O GLY A 23 76.146 -15.312 0.072 1.00 0.00 O ATOM 0 H GLY A 23 75.704 -11.956 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.935 -14.195 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.514 -14.175 1.710 1.00 0.00 H new ATOM 358 N GLY A 24 77.354 -13.424 0.252 1.00 0.00 N ATOM 359 CA GLY A 24 78.226 -13.763 -0.865 1.00 0.00 C ATOM 360 C GLY A 24 79.409 -14.601 -0.398 1.00 0.00 C ATOM 361 O GLY A 24 79.274 -15.454 0.479 1.00 0.00 O ATOM 0 H GLY A 24 77.563 -12.531 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.661 -14.312 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.587 -12.850 -1.340 1.00 0.00 H new ATOM 365 N LYS A 25 80.569 -14.348 -0.992 1.00 0.00 N ATOM 366 CA LYS A 25 81.782 -15.077 -0.637 1.00 0.00 C ATOM 367 C LYS A 25 83.012 -14.207 -0.883 1.00 0.00 C ATOM 368 O LYS A 25 83.341 -13.889 -2.026 1.00 0.00 O ATOM 369 CB LYS A 25 81.883 -16.364 -1.463 1.00 0.00 C ATOM 370 CG LYS A 25 81.405 -16.096 -2.893 1.00 0.00 C ATOM 371 CD LYS A 25 81.589 -17.358 -3.736 1.00 0.00 C ATOM 372 CE LYS A 25 80.955 -17.150 -5.112 1.00 0.00 C ATOM 373 NZ LYS A 25 80.894 -18.453 -5.834 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.696 -13.645 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 25 81.737 -15.335 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.913 -16.721 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.278 -17.149 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.356 -15.799 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 25 81.968 -15.270 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.650 -17.585 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.129 -18.211 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.953 -16.735 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.537 -16.430 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.463 -18.312 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.856 -18.831 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.321 -19.127 -5.287 1.00 0.00 H new ATOM 387 N HIS A 26 83.681 -13.821 0.197 1.00 0.00 N ATOM 388 CA HIS A 26 84.868 -12.981 0.088 1.00 0.00 C ATOM 389 C HIS A 26 85.891 -13.608 -0.855 1.00 0.00 C ATOM 390 O HIS A 26 86.318 -14.745 -0.661 1.00 0.00 O ATOM 391 CB HIS A 26 85.502 -12.761 1.473 1.00 0.00 C ATOM 392 CG HIS A 26 84.953 -13.761 2.455 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.031 -15.129 2.240 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.315 -13.607 3.661 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.454 -15.737 3.293 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.000 -14.856 4.188 1.00 0.00 N ATOM 0 H HIS A 26 83.425 -14.074 1.151 1.00 0.00 H new ATOM 0 HA HIS A 26 84.562 -12.017 -0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.585 -12.861 1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.297 -11.748 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.091 -12.660 4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 26 84.368 -16.808 3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 26 83.525 -15.055 5.068 1.00 0.00 H new ATOM 405 N LYS A 27 86.278 -12.848 -1.877 1.00 0.00 N ATOM 406 CA LYS A 27 87.255 -13.317 -2.855 1.00 0.00 C ATOM 407 C LYS A 27 88.426 -12.342 -2.933 1.00 0.00 C ATOM 408 O LYS A 27 88.306 -11.261 -3.510 1.00 0.00 O ATOM 409 CB LYS A 27 86.596 -13.440 -4.230 1.00 0.00 C ATOM 410 CG LYS A 27 87.486 -14.272 -5.155 1.00 0.00 C ATOM 411 CD LYS A 27 87.010 -14.115 -6.602 1.00 0.00 C ATOM 412 CE LYS A 27 85.520 -14.448 -6.692 1.00 0.00 C ATOM 413 NZ LYS A 27 85.161 -14.737 -8.110 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.930 -11.905 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 27 87.624 -14.294 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.616 -13.908 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.436 -12.450 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.523 -13.949 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.452 -15.321 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.186 -13.095 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.580 -14.774 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.290 -15.309 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.927 -13.614 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.148 -14.964 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.366 -13.903 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.718 -15.546 -8.451 1.00 0.00 H new ATOM 427 N THR A 28 89.552 -12.728 -2.341 1.00 0.00 N ATOM 428 CA THR A 28 90.737 -11.876 -2.340 1.00 0.00 C ATOM 429 C THR A 28 90.455 -10.581 -1.586 1.00 0.00 C ATOM 430 O THR A 28 91.064 -9.546 -1.854 1.00 0.00 O ATOM 431 CB THR A 28 91.157 -11.555 -3.778 1.00 0.00 C ATOM 432 OG1 THR A 28 91.128 -12.746 -4.552 1.00 0.00 O ATOM 433 CG2 THR A 28 92.574 -10.969 -3.794 1.00 0.00 C ATOM 0 H THR A 28 89.669 -13.619 -1.859 1.00 0.00 H new ATOM 0 HA THR A 28 91.547 -12.408 -1.841 1.00 0.00 H new ATOM 0 HB THR A 28 90.466 -10.824 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.395 -12.544 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.863 -10.744 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.596 -10.054 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.271 -11.692 -3.371 1.00 0.00 H new ATOM 441 N GLY A 29 89.529 -10.649 -0.636 1.00 0.00 N ATOM 442 CA GLY A 29 89.173 -9.478 0.157 1.00 0.00 C ATOM 443 C GLY A 29 87.863 -9.703 0.909 1.00 0.00 C ATOM 444 O GLY A 29 87.067 -10.568 0.543 1.00 0.00 O ATOM 0 H GLY A 29 89.014 -11.497 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.971 -9.259 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.078 -8.609 -0.494 1.00 0.00 H new ATOM 448 N PRO A 30 87.629 -8.940 1.946 1.00 0.00 N ATOM 449 CA PRO A 30 86.388 -9.053 2.770 1.00 0.00 C ATOM 450 C PRO A 30 85.158 -8.522 2.033 1.00 0.00 C ATOM 451 O PRO A 30 85.277 -7.889 0.984 1.00 0.00 O ATOM 452 CB PRO A 30 86.699 -8.200 4.004 1.00 0.00 C ATOM 453 CG PRO A 30 87.702 -7.197 3.537 1.00 0.00 C ATOM 454 CD PRO A 30 88.525 -7.886 2.449 1.00 0.00 C ATOM 0 HA PRO A 30 86.146 -10.088 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.801 -7.713 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.098 -8.809 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.209 -6.307 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.339 -6.873 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.807 -7.190 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.449 -8.304 2.850 1.00 0.00 H new ATOM 462 N ASN A 31 83.979 -8.779 2.595 1.00 0.00 N ATOM 463 CA ASN A 31 82.732 -8.318 1.990 1.00 0.00 C ATOM 464 C ASN A 31 82.251 -7.047 2.684 1.00 0.00 C ATOM 465 O ASN A 31 82.182 -6.985 3.910 1.00 0.00 O ATOM 466 CB ASN A 31 81.662 -9.411 2.096 1.00 0.00 C ATOM 467 CG ASN A 31 80.695 -9.314 0.921 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.328 -8.215 0.506 1.00 0.00 O ATOM 469 ND2 ASN A 31 80.259 -10.407 0.357 1.00 0.00 N ATOM 0 H ASN A 31 83.861 -9.301 3.463 1.00 0.00 H new ATOM 0 HA ASN A 31 82.911 -8.099 0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 31 82.134 -10.393 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.117 -9.308 3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 31 79.612 -10.352 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 31 80.565 -11.316 0.703 1.00 0.00 H new ATOM 476 N LEU A 32 81.937 -6.036 1.888 1.00 0.00 N ATOM 477 CA LEU A 32 81.482 -4.757 2.423 1.00 0.00 C ATOM 478 C LEU A 32 80.008 -4.811 2.829 1.00 0.00 C ATOM 479 O LEU A 32 79.281 -3.830 2.683 1.00 0.00 O ATOM 480 CB LEU A 32 81.688 -3.649 1.382 1.00 0.00 C ATOM 481 CG LEU A 32 83.062 -3.796 0.715 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.397 -2.518 -0.064 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.136 -4.031 1.780 1.00 0.00 C ATOM 0 H LEU A 32 81.988 -6.074 0.870 1.00 0.00 H new ATOM 0 HA LEU A 32 82.073 -4.541 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.903 -3.698 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.610 -2.672 1.860 1.00 0.00 H new ATOM 0 HG LEU A 32 83.035 -4.646 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.373 -2.625 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.640 -2.350 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.416 -1.670 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.109 -4.134 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.159 -3.185 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.906 -4.941 2.334 1.00 0.00 H new ATOM 495 N HIS A 33 79.576 -5.956 3.352 1.00 0.00 N ATOM 496 CA HIS A 33 78.188 -6.104 3.788 1.00 0.00 C ATOM 497 C HIS A 33 77.830 -5.007 4.790 1.00 0.00 C ATOM 498 O HIS A 33 78.654 -4.636 5.624 1.00 0.00 O ATOM 499 CB HIS A 33 77.989 -7.468 4.455 1.00 0.00 C ATOM 500 CG HIS A 33 78.080 -8.564 3.428 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.118 -9.903 3.786 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.138 -8.540 2.057 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.194 -10.623 2.653 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.210 -9.842 1.570 1.00 0.00 N ATOM 0 H HIS A 33 80.156 -6.784 3.483 1.00 0.00 H new ATOM 0 HA HIS A 33 77.543 -6.025 2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.745 -7.618 5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 33 77.018 -7.502 4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.129 -7.647 1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.237 -11.702 2.623 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.264 -10.136 0.595 1.00 0.00 H new ATOM 513 N GLY A 34 76.600 -4.494 4.705 1.00 0.00 N ATOM 514 CA GLY A 34 76.148 -3.438 5.616 1.00 0.00 C ATOM 515 C GLY A 34 77.321 -2.586 6.090 1.00 0.00 C ATOM 516 O GLY A 34 77.389 -2.183 7.251 1.00 0.00 O ATOM 0 H GLY A 34 75.904 -4.789 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.416 -2.807 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.647 -3.884 6.475 1.00 0.00 H new ATOM 520 N LEU A 35 78.246 -2.331 5.176 1.00 0.00 N ATOM 521 CA LEU A 35 79.435 -1.544 5.478 1.00 0.00 C ATOM 522 C LEU A 35 79.074 -0.234 6.181 1.00 0.00 C ATOM 523 O LEU A 35 79.549 0.048 7.279 1.00 0.00 O ATOM 524 CB LEU A 35 80.164 -1.247 4.164 1.00 0.00 C ATOM 525 CG LEU A 35 81.409 -0.379 4.409 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.620 -1.276 4.676 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.685 0.479 3.171 1.00 0.00 C ATOM 0 H LEU A 35 78.196 -2.660 4.212 1.00 0.00 H new ATOM 0 HA LEU A 35 80.076 -2.112 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.457 -2.182 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.489 -0.736 3.477 1.00 0.00 H new ATOM 0 HG LEU A 35 81.233 0.263 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.500 -0.657 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.430 -1.891 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.793 -1.920 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.568 1.095 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.857 -0.168 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.827 1.122 2.975 1.00 0.00 H new ATOM 539 N PHE A 36 78.248 0.568 5.532 1.00 0.00 N ATOM 540 CA PHE A 36 77.850 1.855 6.091 1.00 0.00 C ATOM 541 C PHE A 36 77.286 1.707 7.504 1.00 0.00 C ATOM 542 O PHE A 36 76.089 1.478 7.680 1.00 0.00 O ATOM 543 CB PHE A 36 76.802 2.512 5.184 1.00 0.00 C ATOM 544 CG PHE A 36 77.290 2.499 3.753 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.124 1.352 2.965 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.915 3.632 3.213 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.581 1.337 1.642 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.372 3.615 1.892 1.00 0.00 C ATOM 549 CZ PHE A 36 78.207 2.469 1.106 1.00 0.00 C ATOM 0 H PHE A 36 77.840 0.355 4.622 1.00 0.00 H new ATOM 0 HA PHE A 36 78.739 2.483 6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.854 1.979 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.618 3.537 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.643 0.478 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.043 4.518 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.451 0.453 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.853 4.488 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.562 2.458 0.086 1.00 0.00 H new ATOM 559 N GLY A 37 78.150 1.864 8.513 1.00 0.00 N ATOM 560 CA GLY A 37 77.705 1.770 9.906 1.00 0.00 C ATOM 561 C GLY A 37 78.675 0.977 10.784 1.00 0.00 C ATOM 562 O GLY A 37 78.735 1.196 11.995 1.00 0.00 O ATOM 0 H GLY A 37 79.145 2.054 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.589 2.774 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.723 1.298 9.938 1.00 0.00 H new ATOM 566 N ARG A 38 79.414 0.046 10.189 1.00 0.00 N ATOM 567 CA ARG A 38 80.350 -0.773 10.964 1.00 0.00 C ATOM 568 C ARG A 38 81.717 -0.096 11.095 1.00 0.00 C ATOM 569 O ARG A 38 82.166 0.606 10.189 1.00 0.00 O ATOM 570 CB ARG A 38 80.525 -2.146 10.296 1.00 0.00 C ATOM 571 CG ARG A 38 79.604 -3.186 10.952 1.00 0.00 C ATOM 572 CD ARG A 38 80.059 -4.601 10.563 1.00 0.00 C ATOM 573 NE ARG A 38 79.400 -5.022 9.327 1.00 0.00 N ATOM 574 CZ ARG A 38 80.044 -5.715 8.385 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.305 -6.026 8.530 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.409 -6.085 7.308 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.388 -0.161 9.191 1.00 0.00 H new ATOM 0 HA ARG A 38 79.931 -0.896 11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.299 -2.071 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.563 -2.467 10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.625 -3.072 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.574 -3.025 10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.141 -4.620 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.824 -5.300 11.366 1.00 0.00 H new ATOM 0 HE ARG A 38 78.420 -4.779 9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.808 -5.739 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.786 -6.556 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.425 -5.845 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.896 -6.615 6.585 1.00 0.00 H new ATOM 590 N LYS A 39 82.372 -0.329 12.233 1.00 0.00 N ATOM 591 CA LYS A 39 83.692 0.245 12.492 1.00 0.00 C ATOM 592 C LYS A 39 84.739 -0.364 11.561 1.00 0.00 C ATOM 593 O LYS A 39 84.467 -1.339 10.861 1.00 0.00 O ATOM 594 CB LYS A 39 84.091 -0.011 13.952 1.00 0.00 C ATOM 595 CG LYS A 39 83.493 1.073 14.859 1.00 0.00 C ATOM 596 CD LYS A 39 84.446 2.273 14.938 1.00 0.00 C ATOM 597 CE LYS A 39 83.909 3.286 15.951 1.00 0.00 C ATOM 598 NZ LYS A 39 82.422 3.339 15.861 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.010 -0.910 12.989 1.00 0.00 H new ATOM 0 HA LYS A 39 83.644 1.318 12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.740 -0.994 14.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.177 -0.016 14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.525 1.391 14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.319 0.669 15.857 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.442 1.941 15.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.542 2.739 13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.213 3.004 16.959 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.331 4.272 15.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.070 4.150 16.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.138 3.443 14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.019 2.461 16.246 1.00 0.00 H new ATOM 612 N THR A 40 85.938 0.220 11.556 1.00 0.00 N ATOM 613 CA THR A 40 87.017 -0.272 10.705 1.00 0.00 C ATOM 614 C THR A 40 87.486 -1.653 11.153 1.00 0.00 C ATOM 615 O THR A 40 87.468 -1.971 12.342 1.00 0.00 O ATOM 616 CB THR A 40 88.199 0.703 10.736 1.00 0.00 C ATOM 617 OG1 THR A 40 88.457 1.092 12.077 1.00 0.00 O ATOM 618 CG2 THR A 40 87.869 1.939 9.901 1.00 0.00 C ATOM 0 H THR A 40 86.183 1.028 12.128 1.00 0.00 H new ATOM 0 HA THR A 40 86.632 -0.349 9.688 1.00 0.00 H new ATOM 0 HB THR A 40 89.081 0.214 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.124 0.491 12.469 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.712 2.630 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.674 1.641 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.986 2.429 10.310 1.00 0.00 H new ATOM 626 N GLY A 41 87.910 -2.465 10.189 1.00 0.00 N ATOM 627 CA GLY A 41 88.391 -3.810 10.489 1.00 0.00 C ATOM 628 C GLY A 41 87.467 -4.518 11.466 1.00 0.00 C ATOM 629 O GLY A 41 87.913 -5.053 12.481 1.00 0.00 O ATOM 0 H GLY A 41 87.931 -2.218 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.462 -4.388 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.395 -3.755 10.909 1.00 0.00 H new ATOM 633 N GLN A 42 86.177 -4.515 11.156 1.00 0.00 N ATOM 634 CA GLN A 42 85.190 -5.159 12.019 1.00 0.00 C ATOM 635 C GLN A 42 84.637 -6.417 11.362 1.00 0.00 C ATOM 636 O GLN A 42 83.900 -7.180 11.985 1.00 0.00 O ATOM 637 CB GLN A 42 84.043 -4.192 12.319 1.00 0.00 C ATOM 638 CG GLN A 42 83.037 -4.867 13.258 1.00 0.00 C ATOM 639 CD GLN A 42 82.214 -3.812 13.991 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.652 -2.851 13.314 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 82.080 -3.867 15.214 1.00 0.00 N flip ATOM 0 H GLN A 42 85.790 -4.078 10.320 1.00 0.00 H new ATOM 0 HA GLN A 42 85.683 -5.438 12.950 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.431 -3.282 12.778 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.550 -3.897 11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.378 -5.522 12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.564 -5.493 13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.521 -4.620 15.742 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.528 -3.159 15.699 1.00 0.00 H new ATOM 701 N THR A 47 91.789 -11.133 7.005 1.00 0.00 N ATOM 702 CA THR A 47 92.719 -10.773 8.070 1.00 0.00 C ATOM 703 C THR A 47 93.004 -9.276 8.036 1.00 0.00 C ATOM 704 O THR A 47 93.994 -8.833 7.453 1.00 0.00 O ATOM 705 CB THR A 47 94.026 -11.551 7.909 1.00 0.00 C ATOM 706 OG1 THR A 47 93.734 -12.908 7.609 1.00 0.00 O ATOM 707 CG2 THR A 47 94.833 -11.475 9.206 1.00 0.00 C ATOM 0 HA THR A 47 92.267 -11.027 9.029 1.00 0.00 H new ATOM 0 HB THR A 47 94.609 -11.116 7.097 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.879 -12.961 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.764 -12.030 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.058 -10.433 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.253 -11.907 10.021 1.00 0.00 H new ATOM 715 N TYR A 48 92.121 -8.502 8.659 1.00 0.00 N ATOM 716 CA TYR A 48 92.271 -7.052 8.692 1.00 0.00 C ATOM 717 C TYR A 48 93.569 -6.649 9.382 1.00 0.00 C ATOM 718 O TYR A 48 94.083 -7.368 10.238 1.00 0.00 O ATOM 719 CB TYR A 48 91.080 -6.428 9.426 1.00 0.00 C ATOM 720 CG TYR A 48 89.941 -6.241 8.458 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.866 -5.072 7.697 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.965 -7.232 8.321 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.812 -4.888 6.800 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.910 -7.051 7.420 1.00 0.00 C ATOM 725 CZ TYR A 48 87.833 -5.878 6.661 1.00 0.00 C ATOM 726 OH TYR A 48 86.792 -5.692 5.779 1.00 0.00 O ATOM 0 H TYR A 48 91.297 -8.853 9.146 1.00 0.00 H new ATOM 0 HA TYR A 48 92.304 -6.688 7.665 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.770 -7.070 10.251 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.366 -5.469 9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.624 -4.310 7.803 1.00 0.00 H new ATOM 0 HD2 TYR A 48 89.025 -8.136 8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.752 -3.983 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.156 -7.816 7.310 1.00 0.00 H new ATOM 0 HH TYR A 48 87.006 -4.953 5.172 1.00 0.00 H new ATOM 736 N THR A 49 94.089 -5.487 8.998 1.00 0.00 N ATOM 737 CA THR A 49 95.327 -4.982 9.580 1.00 0.00 C ATOM 738 C THR A 49 95.042 -4.254 10.890 1.00 0.00 C ATOM 739 O THR A 49 93.935 -3.761 11.109 1.00 0.00 O ATOM 740 CB THR A 49 96.010 -4.025 8.598 1.00 0.00 C ATOM 741 OG1 THR A 49 95.209 -2.861 8.441 1.00 0.00 O ATOM 742 CG2 THR A 49 96.182 -4.715 7.244 1.00 0.00 C ATOM 0 H THR A 49 93.675 -4.881 8.290 1.00 0.00 H new ATOM 0 HA THR A 49 95.986 -5.826 9.783 1.00 0.00 H new ATOM 0 HB THR A 49 96.989 -3.744 8.985 1.00 0.00 H new ATOM 0 HG1 THR A 49 94.387 -3.092 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.668 -4.032 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.796 -5.607 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.205 -4.998 6.853 1.00 0.00 H new ATOM 750 N ASP A 50 96.046 -4.194 11.759 1.00 0.00 N ATOM 751 CA ASP A 50 95.889 -3.525 13.046 1.00 0.00 C ATOM 752 C ASP A 50 95.301 -2.130 12.859 1.00 0.00 C ATOM 753 O ASP A 50 94.454 -1.694 13.638 1.00 0.00 O ATOM 754 CB ASP A 50 97.243 -3.423 13.749 1.00 0.00 C ATOM 755 CG ASP A 50 98.023 -4.722 13.566 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.413 -5.708 13.187 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.219 -4.710 13.808 1.00 0.00 O1- ATOM 0 H ASP A 50 96.969 -4.597 11.598 1.00 0.00 H new ATOM 0 HA ASP A 50 95.206 -4.113 13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.812 -2.587 13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.097 -3.223 14.810 1.00 0.00 H new ATOM 762 N ALA A 51 95.757 -1.435 11.822 1.00 0.00 N ATOM 763 CA ALA A 51 95.272 -0.088 11.540 1.00 0.00 C ATOM 764 C ALA A 51 93.755 -0.081 11.379 1.00 0.00 C ATOM 765 O ALA A 51 93.077 0.823 11.862 1.00 0.00 O ATOM 766 CB ALA A 51 95.925 0.444 10.266 1.00 0.00 C ATOM 0 H ALA A 51 96.458 -1.780 11.166 1.00 0.00 H new ATOM 0 HA ALA A 51 95.536 0.554 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.558 1.450 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.007 0.472 10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.677 -0.209 9.430 1.00 0.00 H new ATOM 772 N ASN A 52 93.230 -1.091 10.695 1.00 0.00 N ATOM 773 CA ASN A 52 91.789 -1.186 10.480 1.00 0.00 C ATOM 774 C ASN A 52 91.108 -1.770 11.715 1.00 0.00 C ATOM 775 O ASN A 52 89.938 -1.496 11.981 1.00 0.00 O ATOM 776 CB ASN A 52 91.505 -2.075 9.262 1.00 0.00 C ATOM 777 CG ASN A 52 91.410 -1.229 7.997 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.019 -0.163 7.911 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.674 -1.646 7.002 1.00 0.00 N ATOM 0 H ASN A 52 93.773 -1.849 10.283 1.00 0.00 H new ATOM 0 HA ASN A 52 91.393 -0.187 10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.296 -2.817 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.574 -2.622 9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.603 -1.088 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.170 -2.530 7.076 1.00 0.00 H new ATOM 786 N LYS A 53 91.855 -2.566 12.469 1.00 0.00 N ATOM 787 CA LYS A 53 91.326 -3.182 13.677 1.00 0.00 C ATOM 788 C LYS A 53 91.452 -2.203 14.837 1.00 0.00 C ATOM 789 O LYS A 53 90.893 -2.416 15.913 1.00 0.00 O ATOM 790 CB LYS A 53 92.092 -4.487 13.962 1.00 0.00 C ATOM 791 CG LYS A 53 92.334 -4.668 15.465 1.00 0.00 C ATOM 792 CD LYS A 53 93.004 -6.021 15.714 1.00 0.00 C ATOM 793 CE LYS A 53 92.883 -6.387 17.195 1.00 0.00 C ATOM 794 NZ LYS A 53 91.444 -6.527 17.556 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.827 -2.799 12.265 1.00 0.00 H new ATOM 0 HA LYS A 53 90.272 -3.426 13.547 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.527 -5.336 13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.046 -4.474 13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.965 -3.863 15.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.389 -4.613 16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.535 -6.789 15.099 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.054 -5.978 15.424 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.411 -7.319 17.395 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.350 -5.618 17.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.351 -7.171 18.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 91.057 -5.595 17.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 90.919 -6.913 16.746 1.00 0.00 H new ATOM 808 N ASN A 54 92.188 -1.125 14.603 1.00 0.00 N ATOM 809 CA ASN A 54 92.384 -0.109 15.625 1.00 0.00 C ATOM 810 C ASN A 54 91.062 0.573 15.949 1.00 0.00 C ATOM 811 O ASN A 54 90.908 1.202 16.997 1.00 0.00 O ATOM 812 CB ASN A 54 93.389 0.929 15.122 1.00 0.00 C ATOM 813 CG ASN A 54 92.680 2.036 14.342 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.707 1.730 13.528 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 93.023 3.209 14.480 1.00 0.00 N flip ATOM 0 H ASN A 54 92.657 -0.933 13.718 1.00 0.00 H new ATOM 0 HA ASN A 54 92.767 -0.582 16.530 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.927 1.360 15.966 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.130 0.446 14.485 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.784 3.446 15.117 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.547 3.944 13.958 1.00 0.00 H new ATOM 822 N LYS A 55 90.116 0.440 15.034 1.00 0.00 N ATOM 823 CA LYS A 55 88.798 1.043 15.210 1.00 0.00 C ATOM 824 C LYS A 55 88.926 2.545 15.455 1.00 0.00 C ATOM 825 O LYS A 55 88.578 3.041 16.526 1.00 0.00 O ATOM 826 CB LYS A 55 88.070 0.392 16.392 1.00 0.00 C ATOM 827 CG LYS A 55 88.396 -1.107 16.441 1.00 0.00 C ATOM 828 CD LYS A 55 87.207 -1.876 17.028 1.00 0.00 C ATOM 829 CE LYS A 55 87.664 -3.266 17.478 1.00 0.00 C ATOM 830 NZ LYS A 55 88.342 -3.161 18.801 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.232 -0.078 14.163 1.00 0.00 H new ATOM 0 HA LYS A 55 88.223 0.879 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.371 0.870 17.324 1.00 0.00 H new ATOM 0 HB3 LYS A 55 86.994 0.537 16.293 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.619 -1.473 15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.286 -1.276 17.048 1.00 0.00 H new ATOM 0 HD2 LYS A 55 86.789 -1.329 17.873 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.416 -1.966 16.283 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.808 -3.937 17.548 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.344 -3.693 16.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.501 -4.114 19.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.255 -2.677 18.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.743 -2.619 19.456 1.00 0.00 H new ATOM 844 N GLY A 56 89.430 3.264 14.457 1.00 0.00 N ATOM 845 CA GLY A 56 89.601 4.707 14.580 1.00 0.00 C ATOM 846 C GLY A 56 88.348 5.453 14.137 1.00 0.00 C ATOM 847 O GLY A 56 87.923 6.409 14.785 1.00 0.00 O ATOM 0 H GLY A 56 89.725 2.875 13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.831 4.961 15.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.450 5.027 13.976 1.00 0.00 H new ATOM 851 N ILE A 57 87.758 5.009 13.032 1.00 0.00 N ATOM 852 CA ILE A 57 86.549 5.644 12.513 1.00 0.00 C ATOM 853 C ILE A 57 85.548 4.589 12.063 1.00 0.00 C ATOM 854 O ILE A 57 85.813 3.391 12.161 1.00 0.00 O ATOM 855 CB ILE A 57 86.902 6.562 11.337 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.435 5.724 10.160 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.977 7.555 11.783 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.281 5.267 9.255 1.00 0.00 C ATOM 0 H ILE A 57 88.093 4.218 12.481 1.00 0.00 H new ATOM 0 HA ILE A 57 86.099 6.238 13.308 1.00 0.00 H new ATOM 0 HB ILE A 57 86.010 7.100 11.016 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.147 6.312 9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.973 4.855 10.539 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.233 8.212 10.952 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.599 8.152 12.613 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.865 7.010 12.102 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.678 4.676 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.584 4.660 9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.761 6.140 8.860 1.00 0.00 H new ATOM 870 N THR A 58 84.397 5.039 11.571 1.00 0.00 N ATOM 871 CA THR A 58 83.358 4.120 11.114 1.00 0.00 C ATOM 872 C THR A 58 83.022 4.362 9.648 1.00 0.00 C ATOM 873 O THR A 58 82.955 5.505 9.196 1.00 0.00 O ATOM 874 CB THR A 58 82.097 4.297 11.963 1.00 0.00 C ATOM 875 OG1 THR A 58 82.356 3.857 13.289 1.00 0.00 O ATOM 876 CG2 THR A 58 80.953 3.474 11.367 1.00 0.00 C ATOM 0 H THR A 58 84.161 6.027 11.479 1.00 0.00 H new ATOM 0 HA THR A 58 83.733 3.102 11.221 1.00 0.00 H new ATOM 0 HB THR A 58 81.814 5.350 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 58 83.019 4.446 13.705 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.057 3.603 11.974 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.753 3.811 10.350 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.232 2.421 11.351 1.00 0.00 H new ATOM 884 N TRP A 59 82.800 3.276 8.912 1.00 0.00 N ATOM 885 CA TRP A 59 82.459 3.389 7.501 1.00 0.00 C ATOM 886 C TRP A 59 81.126 4.112 7.343 1.00 0.00 C ATOM 887 O TRP A 59 80.185 3.873 8.100 1.00 0.00 O ATOM 888 CB TRP A 59 82.355 2.006 6.853 1.00 0.00 C ATOM 889 CG TRP A 59 83.490 1.131 7.293 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.781 1.519 7.396 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.456 -0.276 7.680 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.540 0.438 7.816 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.766 -0.687 8.011 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.424 -1.226 7.775 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.041 -1.991 8.424 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.700 -2.540 8.188 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.006 -2.920 8.513 1.00 0.00 C ATOM 0 H TRP A 59 82.850 2.320 9.265 1.00 0.00 H new ATOM 0 HA TRP A 59 83.249 3.955 7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.406 1.543 7.122 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.365 2.105 5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.159 2.509 7.186 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.549 0.470 7.963 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.411 -0.943 7.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.051 -2.279 8.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.899 -3.261 8.255 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.212 -3.931 8.832 1.00 0.00 H new ATOM 908 N LYS A 60 81.057 4.990 6.354 1.00 0.00 N ATOM 909 CA LYS A 60 79.841 5.748 6.089 1.00 0.00 C ATOM 910 C LYS A 60 79.851 6.231 4.644 1.00 0.00 C ATOM 911 O LYS A 60 80.615 5.725 3.826 1.00 0.00 O ATOM 912 CB LYS A 60 79.750 6.949 7.038 1.00 0.00 C ATOM 913 CG LYS A 60 79.462 6.463 8.465 1.00 0.00 C ATOM 914 CD LYS A 60 78.881 7.610 9.301 1.00 0.00 C ATOM 915 CE LYS A 60 79.987 8.609 9.647 1.00 0.00 C ATOM 916 NZ LYS A 60 79.395 9.770 10.372 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.829 5.196 5.720 1.00 0.00 H new ATOM 0 HA LYS A 60 78.976 5.106 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.683 7.512 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.962 7.626 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.761 5.629 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.379 6.095 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.087 8.110 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.434 7.217 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.746 8.129 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.484 8.948 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.145 10.451 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.686 10.232 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 78.941 9.438 11.247 1.00 0.00 H new ATOM 930 N GLU A 61 79.009 7.207 4.328 1.00 0.00 N ATOM 931 CA GLU A 61 78.957 7.731 2.970 1.00 0.00 C ATOM 932 C GLU A 61 80.148 8.647 2.708 1.00 0.00 C ATOM 933 O GLU A 61 80.940 8.407 1.795 1.00 0.00 O ATOM 934 CB GLU A 61 77.656 8.507 2.759 1.00 0.00 C ATOM 935 CG GLU A 61 77.640 9.104 1.351 1.00 0.00 C ATOM 936 CD GLU A 61 76.246 9.629 1.023 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.290 8.927 1.307 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.156 10.724 0.492 1.00 0.00 O ATOM 0 H GLU A 61 78.362 7.646 4.983 1.00 0.00 H new ATOM 0 HA GLU A 61 78.995 6.894 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.800 7.846 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.568 9.299 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.368 9.913 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.933 8.348 0.623 1.00 0.00 H new ATOM 945 N GLU A 62 80.273 9.695 3.515 1.00 0.00 N ATOM 946 CA GLU A 62 81.372 10.641 3.357 1.00 0.00 C ATOM 947 C GLU A 62 82.703 9.995 3.719 1.00 0.00 C ATOM 948 O GLU A 62 83.709 10.200 3.040 1.00 0.00 O ATOM 949 CB GLU A 62 81.140 11.867 4.243 1.00 0.00 C ATOM 950 CG GLU A 62 79.803 12.516 3.878 1.00 0.00 C ATOM 951 CD GLU A 62 79.431 13.564 4.920 1.00 0.00 C ATOM 952 OE1 GLU A 62 78.878 13.188 5.940 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.704 14.730 4.684 1.00 0.00 O1- ATOM 0 H GLU A 62 79.633 9.910 4.279 1.00 0.00 H new ATOM 0 HA GLU A 62 81.407 10.948 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.140 11.575 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.952 12.583 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.871 12.978 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.024 11.756 3.820 1.00 0.00 H new ATOM 960 N THR A 63 82.708 9.209 4.788 1.00 0.00 N ATOM 961 CA THR A 63 83.929 8.541 5.215 1.00 0.00 C ATOM 962 C THR A 63 84.480 7.696 4.078 1.00 0.00 C ATOM 963 O THR A 63 85.694 7.592 3.895 1.00 0.00 O ATOM 964 CB THR A 63 83.648 7.644 6.422 1.00 0.00 C ATOM 965 OG1 THR A 63 82.719 6.638 6.052 1.00 0.00 O ATOM 966 CG2 THR A 63 83.071 8.481 7.559 1.00 0.00 C ATOM 0 H THR A 63 81.891 9.020 5.369 1.00 0.00 H new ATOM 0 HA THR A 63 84.661 9.299 5.495 1.00 0.00 H new ATOM 0 HB THR A 63 84.576 7.179 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.203 5.848 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.872 7.840 8.418 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.786 9.254 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.142 8.948 7.232 1.00 0.00 H new ATOM 974 N LEU A 64 83.577 7.096 3.312 1.00 0.00 N ATOM 975 CA LEU A 64 83.982 6.264 2.190 1.00 0.00 C ATOM 976 C LEU A 64 84.587 7.126 1.085 1.00 0.00 C ATOM 977 O LEU A 64 85.492 6.690 0.377 1.00 0.00 O ATOM 978 CB LEU A 64 82.782 5.487 1.636 1.00 0.00 C ATOM 979 CG LEU A 64 82.856 4.014 2.066 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.536 3.310 1.722 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.018 3.317 1.336 1.00 0.00 C ATOM 0 H LEU A 64 82.569 7.170 3.447 1.00 0.00 H new ATOM 0 HA LEU A 64 84.730 5.555 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.854 5.932 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.767 5.555 0.548 1.00 0.00 H new ATOM 0 HG LEU A 64 83.024 3.962 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.590 2.265 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.715 3.799 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.364 3.365 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.067 2.273 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.856 3.371 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.955 3.813 1.587 1.00 0.00 H new ATOM 993 N MET A 65 84.075 8.346 0.936 1.00 0.00 N ATOM 994 CA MET A 65 84.579 9.247 -0.100 1.00 0.00 C ATOM 995 C MET A 65 86.064 9.523 0.093 1.00 0.00 C ATOM 996 O MET A 65 86.871 9.274 -0.804 1.00 0.00 O ATOM 997 CB MET A 65 83.809 10.568 -0.077 1.00 0.00 C ATOM 998 CG MET A 65 82.344 10.306 -0.419 1.00 0.00 C ATOM 999 SD MET A 65 81.378 11.806 -0.111 1.00 0.00 S ATOM 1000 CE MET A 65 81.028 12.211 -1.835 1.00 0.00 C ATOM 0 H MET A 65 83.323 8.730 1.509 1.00 0.00 H new ATOM 0 HA MET A 65 84.435 8.760 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.887 11.030 0.907 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.242 11.267 -0.793 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.250 10.008 -1.463 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.960 9.483 0.183 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.430 13.121 -1.881 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.965 12.365 -2.370 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.477 11.392 -2.297 1.00 0.00 H new ATOM 1010 N GLU A 66 86.425 10.031 1.265 1.00 0.00 N ATOM 1011 CA GLU A 66 87.824 10.326 1.551 1.00 0.00 C ATOM 1012 C GLU A 66 88.649 9.049 1.462 1.00 0.00 C ATOM 1013 O GLU A 66 89.825 9.077 1.098 1.00 0.00 O ATOM 1014 CB GLU A 66 87.958 10.931 2.950 1.00 0.00 C ATOM 1015 CG GLU A 66 87.456 12.377 2.932 1.00 0.00 C ATOM 1016 CD GLU A 66 88.487 13.278 2.261 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.505 12.763 1.830 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 88.243 14.471 2.187 1.00 0.00 O ATOM 0 H GLU A 66 85.778 10.245 2.024 1.00 0.00 H new ATOM 0 HA GLU A 66 88.191 11.044 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.384 10.345 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.999 10.900 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.508 12.435 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.270 12.719 3.950 1.00 0.00 H new ATOM 1025 N TYR A 67 88.015 7.930 1.791 1.00 0.00 N ATOM 1026 CA TYR A 67 88.681 6.635 1.741 1.00 0.00 C ATOM 1027 C TYR A 67 88.768 6.145 0.300 1.00 0.00 C ATOM 1028 O TYR A 67 89.665 5.382 -0.057 1.00 0.00 O ATOM 1029 CB TYR A 67 87.897 5.629 2.588 1.00 0.00 C ATOM 1030 CG TYR A 67 88.428 4.232 2.367 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.919 3.449 1.324 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.423 3.718 3.206 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.405 2.151 1.121 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.910 2.421 3.003 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.401 1.638 1.961 1.00 0.00 C ATOM 1036 OH TYR A 67 89.879 0.359 1.761 1.00 0.00 O ATOM 0 H TYR A 67 87.042 7.893 2.095 1.00 0.00 H new ATOM 0 HA TYR A 67 89.692 6.734 2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.975 5.892 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.840 5.669 2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.152 3.846 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.816 4.322 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 67 88.012 1.546 0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.678 2.025 3.651 1.00 0.00 H new ATOM 0 HH TYR A 67 90.052 0.220 0.806 1.00 0.00 H new ATOM 1046 N LEU A 68 87.825 6.594 -0.520 1.00 0.00 N ATOM 1047 CA LEU A 68 87.784 6.202 -1.923 1.00 0.00 C ATOM 1048 C LEU A 68 88.783 7.019 -2.738 1.00 0.00 C ATOM 1049 O LEU A 68 89.212 6.601 -3.813 1.00 0.00 O ATOM 1050 CB LEU A 68 86.363 6.407 -2.473 1.00 0.00 C ATOM 1051 CG LEU A 68 85.564 5.101 -2.379 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.103 5.369 -2.730 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.124 4.068 -3.354 1.00 0.00 C ATOM 0 H LEU A 68 87.079 7.230 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 68 88.055 5.149 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.858 7.192 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.411 6.738 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 68 85.640 4.718 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.536 4.440 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.689 6.098 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.039 5.761 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.548 3.146 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.057 4.454 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.167 3.866 -3.110 1.00 0.00 H new ATOM 1065 N GLU A 69 89.151 8.185 -2.215 1.00 0.00 N ATOM 1066 CA GLU A 69 90.101 9.055 -2.892 1.00 0.00 C ATOM 1067 C GLU A 69 91.507 8.814 -2.345 1.00 0.00 C ATOM 1068 O GLU A 69 92.495 9.298 -2.895 1.00 0.00 O ATOM 1069 CB GLU A 69 89.680 10.518 -2.677 1.00 0.00 C ATOM 1070 CG GLU A 69 90.902 11.435 -2.718 1.00 0.00 C ATOM 1071 CD GLU A 69 90.457 12.891 -2.815 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.866 13.375 -1.865 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.715 13.501 -3.840 1.00 0.00 O1- ATOM 0 H GLU A 69 88.805 8.547 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 69 90.108 8.838 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.968 10.815 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.173 10.620 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.507 11.290 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.530 11.180 -3.572 1.00 0.00 H new ATOM 1080 N ASN A 70 91.584 8.056 -1.258 1.00 0.00 N ATOM 1081 CA ASN A 70 92.867 7.749 -0.639 1.00 0.00 C ATOM 1082 C ASN A 70 92.693 6.699 0.454 1.00 0.00 C ATOM 1083 O ASN A 70 92.835 6.989 1.642 1.00 0.00 O ATOM 1084 CB ASN A 70 93.473 9.018 -0.039 1.00 0.00 C ATOM 1085 CG ASN A 70 92.500 9.643 0.955 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.674 10.475 0.578 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.545 9.289 2.211 1.00 0.00 N ATOM 0 H ASN A 70 90.777 7.644 -0.789 1.00 0.00 H new ATOM 0 HA ASN A 70 93.536 7.355 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.413 8.781 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.703 9.730 -0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 70 91.896 9.702 2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.229 8.600 2.522 1.00 0.00 H new ATOM 1094 N PRO A 71 92.382 5.494 0.067 1.00 0.00 N ATOM 1095 CA PRO A 71 92.170 4.363 1.019 1.00 0.00 C ATOM 1096 C PRO A 71 93.305 4.224 2.034 1.00 0.00 C ATOM 1097 O PRO A 71 93.081 3.830 3.179 1.00 0.00 O ATOM 1098 CB PRO A 71 92.101 3.131 0.110 1.00 0.00 C ATOM 1099 CG PRO A 71 91.679 3.643 -1.228 1.00 0.00 C ATOM 1100 CD PRO A 71 92.197 5.077 -1.333 1.00 0.00 C ATOM 0 HA PRO A 71 91.275 4.510 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.068 2.632 0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.388 2.401 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.089 3.024 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.594 3.615 -1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.133 5.123 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.486 5.721 -1.850 1.00 0.00 H new ATOM 1108 N LYS A 72 94.524 4.528 1.601 1.00 0.00 N ATOM 1109 CA LYS A 72 95.687 4.407 2.475 1.00 0.00 C ATOM 1110 C LYS A 72 95.840 5.621 3.389 1.00 0.00 C ATOM 1111 O LYS A 72 96.058 5.474 4.591 1.00 0.00 O ATOM 1112 CB LYS A 72 96.950 4.254 1.625 1.00 0.00 C ATOM 1113 CG LYS A 72 98.166 3.998 2.530 1.00 0.00 C ATOM 1114 CD LYS A 72 98.275 2.500 2.850 1.00 0.00 C ATOM 1115 CE LYS A 72 98.937 1.761 1.682 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.415 1.750 1.876 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.732 4.857 0.658 1.00 0.00 H new ATOM 0 HA LYS A 72 95.541 3.528 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.828 3.429 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.111 5.155 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.076 4.340 2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.070 4.570 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.858 2.356 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.284 2.087 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.559 0.740 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.687 2.249 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.865 1.249 1.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.768 2.728 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.645 1.266 2.767 1.00 0.00 H new ATOM 1130 N LYS A 73 95.752 6.815 2.818 1.00 0.00 N ATOM 1131 CA LYS A 73 95.914 8.031 3.607 1.00 0.00 C ATOM 1132 C LYS A 73 94.817 8.158 4.663 1.00 0.00 C ATOM 1133 O LYS A 73 94.980 8.875 5.651 1.00 0.00 O ATOM 1134 CB LYS A 73 95.900 9.263 2.694 1.00 0.00 C ATOM 1135 CG LYS A 73 96.719 10.392 3.335 1.00 0.00 C ATOM 1136 CD LYS A 73 96.274 11.747 2.767 1.00 0.00 C ATOM 1137 CE LYS A 73 95.108 12.297 3.594 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.544 13.500 2.919 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.572 6.968 1.826 1.00 0.00 H new ATOM 0 HA LYS A 73 96.875 7.970 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.314 9.009 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.875 9.593 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.587 10.380 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.781 10.238 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.107 12.450 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 73 95.972 11.634 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.337 11.535 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.449 12.556 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 93.752 13.874 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.282 14.228 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 94.204 13.239 1.972 1.00 0.00 H new ATOM 1152 N TYR A 74 93.701 7.466 4.454 1.00 0.00 N ATOM 1153 CA TYR A 74 92.597 7.526 5.406 1.00 0.00 C ATOM 1154 C TYR A 74 92.916 6.693 6.645 1.00 0.00 C ATOM 1155 O TYR A 74 92.918 7.205 7.765 1.00 0.00 O ATOM 1156 CB TYR A 74 91.307 7.017 4.747 1.00 0.00 C ATOM 1157 CG TYR A 74 90.113 7.745 5.327 1.00 0.00 C ATOM 1158 CD1 TYR A 74 89.992 9.131 5.166 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.127 7.034 6.024 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.888 9.805 5.702 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.024 7.709 6.559 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.904 9.095 6.398 1.00 0.00 C ATOM 1163 OH TYR A 74 86.817 9.760 6.926 1.00 0.00 O ATOM 0 H TYR A 74 93.538 6.865 3.646 1.00 0.00 H new ATOM 0 HA TYR A 74 92.455 8.563 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.352 7.174 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.204 5.944 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.751 9.680 4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.218 5.965 6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.796 10.874 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.265 7.161 7.097 1.00 0.00 H new ATOM 0 HH TYR A 74 86.229 9.119 7.377 1.00 0.00 H new ATOM 1173 N ILE A 75 93.197 5.411 6.435 1.00 0.00 N ATOM 1174 CA ILE A 75 93.528 4.512 7.538 1.00 0.00 C ATOM 1175 C ILE A 75 94.837 3.782 7.242 1.00 0.00 C ATOM 1176 O ILE A 75 94.839 2.588 6.941 1.00 0.00 O ATOM 1177 CB ILE A 75 92.403 3.492 7.745 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.076 4.231 7.965 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.711 2.626 8.970 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.906 3.283 7.691 1.00 0.00 C ATOM 0 H ILE A 75 93.203 4.971 5.515 1.00 0.00 H new ATOM 0 HA ILE A 75 93.644 5.102 8.447 1.00 0.00 H new ATOM 0 HB ILE A 75 92.326 2.857 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.022 4.605 8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.017 5.097 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.909 1.902 9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.653 2.099 8.816 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.791 3.260 9.853 1.00 0.00 H new ATOM 0 HD11 ILE A 75 88.965 3.811 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.957 2.931 6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.962 2.431 8.369 1.00 0.00 H new ATOM 1192 N PRO A 76 95.941 4.480 7.314 1.00 0.00 N ATOM 1193 CA PRO A 76 97.286 3.898 7.041 1.00 0.00 C ATOM 1194 C PRO A 76 97.457 2.518 7.669 1.00 0.00 C ATOM 1195 O PRO A 76 97.233 2.338 8.866 1.00 0.00 O ATOM 1196 CB PRO A 76 98.244 4.913 7.664 1.00 0.00 C ATOM 1197 CG PRO A 76 97.528 6.221 7.575 1.00 0.00 C ATOM 1198 CD PRO A 76 96.031 5.908 7.667 1.00 0.00 C ATOM 0 HA PRO A 76 97.459 3.739 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.473 4.657 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.192 4.944 7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.835 6.886 8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.761 6.727 6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.645 6.096 8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.452 6.526 6.981 1.00 0.00 H new ATOM 1206 N GLY A 77 97.854 1.548 6.850 1.00 0.00 N ATOM 1207 CA GLY A 77 98.052 0.181 7.325 1.00 0.00 C ATOM 1208 C GLY A 77 97.092 -0.775 6.629 1.00 0.00 C ATOM 1209 O GLY A 77 97.395 -1.955 6.452 1.00 0.00 O ATOM 0 H GLY A 77 98.045 1.682 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.080 -0.129 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.897 0.139 8.403 1.00 0.00 H new ATOM 1213 N THR A 78 95.937 -0.256 6.229 1.00 0.00 N ATOM 1214 CA THR A 78 94.939 -1.071 5.545 1.00 0.00 C ATOM 1215 C THR A 78 95.547 -1.736 4.317 1.00 0.00 C ATOM 1216 O THR A 78 96.381 -1.144 3.631 1.00 0.00 O ATOM 1217 CB THR A 78 93.761 -0.198 5.119 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.737 -1.018 4.572 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.233 0.803 4.068 1.00 0.00 C ATOM 0 H THR A 78 95.669 0.719 6.365 1.00 0.00 H new ATOM 0 HA THR A 78 94.592 -1.843 6.231 1.00 0.00 H new ATOM 0 HB THR A 78 93.369 0.338 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.980 -0.458 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.396 1.429 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.019 1.430 4.489 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.622 0.266 3.203 1.00 0.00 H new ATOM 1227 N LYS A 79 95.130 -2.968 4.041 1.00 0.00 N ATOM 1228 CA LYS A 79 95.654 -3.692 2.886 1.00 0.00 C ATOM 1229 C LYS A 79 94.806 -3.422 1.644 1.00 0.00 C ATOM 1230 O LYS A 79 93.841 -4.134 1.370 1.00 0.00 O ATOM 1231 CB LYS A 79 95.671 -5.196 3.182 1.00 0.00 C ATOM 1232 CG LYS A 79 96.591 -5.913 2.184 1.00 0.00 C ATOM 1233 CD LYS A 79 98.025 -5.931 2.723 1.00 0.00 C ATOM 1234 CE LYS A 79 98.928 -6.689 1.747 1.00 0.00 C ATOM 1235 NZ LYS A 79 100.217 -7.017 2.416 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.441 -3.480 4.592 1.00 0.00 H new ATOM 0 HA LYS A 79 96.669 -3.345 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.017 -5.371 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.661 -5.600 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.241 -6.932 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.561 -5.407 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.388 -4.912 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.050 -6.407 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.436 -7.603 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.111 -6.084 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.831 -7.532 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 100.688 -6.138 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.034 -7.610 3.250 1.00 0.00 H new ATOM 1249 N MET A 80 95.183 -2.393 0.890 1.00 0.00 N ATOM 1250 CA MET A 80 94.460 -2.035 -0.328 1.00 0.00 C ATOM 1251 C MET A 80 95.151 -0.874 -1.036 1.00 0.00 C ATOM 1252 O MET A 80 94.928 0.290 -0.703 1.00 0.00 O ATOM 1253 CB MET A 80 93.017 -1.643 0.010 1.00 0.00 C ATOM 1254 CG MET A 80 92.307 -1.161 -1.260 1.00 0.00 C ATOM 1255 SD MET A 80 90.531 -1.006 -0.941 1.00 0.00 S ATOM 1256 CE MET A 80 90.182 0.261 -2.187 1.00 0.00 C ATOM 0 H MET A 80 95.982 -1.794 1.099 1.00 0.00 H new ATOM 0 HA MET A 80 94.453 -2.901 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.487 -2.496 0.434 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.010 -0.856 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.715 -0.201 -1.575 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.480 -1.864 -2.075 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.200 0.081 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.196 1.245 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.940 0.220 -2.969 1.00 0.00 H new ATOM 1266 N ILE A 81 95.992 -1.200 -2.015 1.00 0.00 N ATOM 1267 CA ILE A 81 96.715 -0.180 -2.771 1.00 0.00 C ATOM 1268 C ILE A 81 96.566 -0.422 -4.270 1.00 0.00 C ATOM 1269 O ILE A 81 97.431 -1.033 -4.898 1.00 0.00 O ATOM 1270 CB ILE A 81 98.199 -0.205 -2.392 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.350 0.009 -0.876 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.930 0.912 -3.142 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.268 -1.335 -0.139 1.00 0.00 C ATOM 0 H ILE A 81 96.189 -2.159 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 81 96.294 0.796 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 81 98.628 -1.170 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.304 0.491 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.568 0.677 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.987 0.898 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.825 0.759 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.500 1.876 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.376 -1.169 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.303 -1.801 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.066 -1.990 -0.487 1.00 0.00 H new ATOM 1285 N PHE A 82 95.462 0.062 -4.836 1.00 0.00 N ATOM 1286 CA PHE A 82 95.201 -0.104 -6.266 1.00 0.00 C ATOM 1287 C PHE A 82 95.151 1.254 -6.960 1.00 0.00 C ATOM 1288 O PHE A 82 96.141 1.703 -7.537 1.00 0.00 O ATOM 1289 CB PHE A 82 93.872 -0.845 -6.465 1.00 0.00 C ATOM 1290 CG PHE A 82 93.382 -0.671 -7.887 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.244 -0.917 -8.964 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.062 -0.265 -8.127 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.786 -0.756 -10.278 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.606 -0.106 -9.440 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.468 -0.351 -10.516 1.00 0.00 C ATOM 0 H PHE A 82 94.737 0.570 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 82 96.009 -0.688 -6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 82 94.002 -1.905 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.127 -0.463 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.261 -1.231 -8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.397 -0.075 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.451 -0.945 -11.108 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.588 0.206 -9.624 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.116 -0.227 -11.529 1.00 0.00 H new ATOM 1305 N ALA A 83 93.992 1.902 -6.901 1.00 0.00 N ATOM 1306 CA ALA A 83 93.824 3.208 -7.528 1.00 0.00 C ATOM 1307 C ALA A 83 92.661 3.962 -6.894 1.00 0.00 C ATOM 1308 O ALA A 83 91.531 3.473 -6.867 1.00 0.00 O ATOM 1309 CB ALA A 83 93.570 3.037 -9.027 1.00 0.00 C ATOM 0 H ALA A 83 93.160 1.547 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 83 94.738 3.783 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.445 4.016 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.417 2.526 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.666 2.447 -9.178 1.00 0.00 H new ATOM 1315 N GLY A 84 92.944 5.156 -6.384 1.00 0.00 N ATOM 1316 CA GLY A 84 91.913 5.971 -5.752 1.00 0.00 C ATOM 1317 C GLY A 84 91.036 6.648 -6.799 1.00 0.00 C ATOM 1318 O GLY A 84 91.293 6.547 -7.998 1.00 0.00 O ATOM 0 H GLY A 84 93.872 5.579 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.297 5.347 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.378 6.726 -5.118 1.00 0.00 H new ATOM 1322 N ILE A 85 90.001 7.341 -6.336 1.00 0.00 N ATOM 1323 CA ILE A 85 89.088 8.035 -7.241 1.00 0.00 C ATOM 1324 C ILE A 85 89.588 9.453 -7.513 1.00 0.00 C ATOM 1325 O ILE A 85 90.422 9.976 -6.773 1.00 0.00 O ATOM 1326 CB ILE A 85 87.690 8.086 -6.619 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.119 6.660 -6.509 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.769 8.948 -7.485 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.387 6.276 -7.800 1.00 0.00 C ATOM 0 H ILE A 85 89.773 7.438 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 85 89.044 7.493 -8.186 1.00 0.00 H new ATOM 0 HB ILE A 85 87.756 8.524 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.925 5.952 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.434 6.600 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.775 8.981 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.172 9.959 -7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.703 8.519 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.989 5.265 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.568 6.973 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.083 6.316 -8.638 1.00 0.00 H new ATOM 1341 N LYS A 86 89.086 10.067 -8.583 1.00 0.00 N ATOM 1342 CA LYS A 86 89.505 11.420 -8.947 1.00 0.00 C ATOM 1343 C LYS A 86 88.429 12.450 -8.605 1.00 0.00 C ATOM 1344 O LYS A 86 88.617 13.276 -7.711 1.00 0.00 O ATOM 1345 CB LYS A 86 89.810 11.482 -10.445 1.00 0.00 C ATOM 1346 CG LYS A 86 91.051 10.640 -10.753 1.00 0.00 C ATOM 1347 CD LYS A 86 91.576 10.991 -12.147 1.00 0.00 C ATOM 1348 CE LYS A 86 90.541 10.592 -13.201 1.00 0.00 C ATOM 1349 NZ LYS A 86 91.187 10.561 -14.544 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.394 9.654 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 86 90.401 11.659 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.957 11.113 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.975 12.515 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.823 10.824 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.805 9.579 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.781 12.060 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.517 10.474 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.123 9.614 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 86 89.713 11.301 -13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.484 10.290 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.565 11.503 -14.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.963 9.868 -14.540 1.00 0.00 H new ATOM 1363 N LYS A 87 87.312 12.412 -9.328 1.00 0.00 N ATOM 1364 CA LYS A 87 86.232 13.368 -9.091 1.00 0.00 C ATOM 1365 C LYS A 87 85.364 12.943 -7.910 1.00 0.00 C ATOM 1366 O LYS A 87 85.389 11.787 -7.487 1.00 0.00 O ATOM 1367 CB LYS A 87 85.360 13.494 -10.344 1.00 0.00 C ATOM 1368 CG LYS A 87 86.203 14.022 -11.517 1.00 0.00 C ATOM 1369 CD LYS A 87 85.342 14.900 -12.432 1.00 0.00 C ATOM 1370 CE LYS A 87 84.304 14.035 -13.151 1.00 0.00 C ATOM 1371 NZ LYS A 87 84.970 13.259 -14.235 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.132 11.739 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 87 86.684 14.332 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.933 12.524 -10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.526 14.169 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.048 14.597 -11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.615 13.187 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.843 15.672 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.972 15.410 -13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 87 83.827 13.357 -12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 87 83.518 14.664 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 84.263 12.975 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.696 13.849 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 85.416 12.411 -13.831 1.00 0.00 H new ATOM 1385 N LYS A 88 84.594 13.889 -7.383 1.00 0.00 N ATOM 1386 CA LYS A 88 83.718 13.603 -6.255 1.00 0.00 C ATOM 1387 C LYS A 88 82.551 12.728 -6.698 1.00 0.00 C ATOM 1388 O LYS A 88 82.282 11.692 -6.095 1.00 0.00 O ATOM 1389 CB LYS A 88 83.184 14.906 -5.656 1.00 0.00 C ATOM 1390 CG LYS A 88 82.606 14.628 -4.265 1.00 0.00 C ATOM 1391 CD LYS A 88 81.901 15.884 -3.733 1.00 0.00 C ATOM 1392 CE LYS A 88 80.440 15.891 -4.192 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.779 17.143 -3.726 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.559 14.852 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 88 84.294 13.071 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.984 15.643 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.416 15.328 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.902 13.798 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.403 14.331 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.950 15.906 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.410 16.778 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.389 15.823 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.918 15.021 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.787 17.148 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.816 17.190 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.272 17.966 -4.127 1.00 0.00 H new ATOM 1407 N THR A 89 81.862 13.150 -7.754 1.00 0.00 N ATOM 1408 CA THR A 89 80.727 12.387 -8.258 1.00 0.00 C ATOM 1409 C THR A 89 81.124 10.937 -8.492 1.00 0.00 C ATOM 1410 O THR A 89 80.287 10.038 -8.433 1.00 0.00 O ATOM 1411 CB THR A 89 80.214 12.988 -9.566 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.283 13.078 -10.498 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.641 14.381 -9.301 1.00 0.00 C ATOM 0 H THR A 89 82.067 14.005 -8.271 1.00 0.00 H new ATOM 0 HA THR A 89 79.935 12.428 -7.511 1.00 0.00 H new ATOM 0 HB THR A 89 79.431 12.350 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.954 13.462 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.276 14.808 -10.235 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.818 14.307 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.420 15.023 -8.889 1.00 0.00 H new ATOM 1421 N GLU A 90 82.407 10.710 -8.746 1.00 0.00 N ATOM 1422 CA GLU A 90 82.890 9.355 -8.966 1.00 0.00 C ATOM 1423 C GLU A 90 82.785 8.577 -7.664 1.00 0.00 C ATOM 1424 O GLU A 90 82.408 7.405 -7.653 1.00 0.00 O ATOM 1425 CB GLU A 90 84.343 9.380 -9.448 1.00 0.00 C ATOM 1426 CG GLU A 90 84.394 9.769 -10.926 1.00 0.00 C ATOM 1427 CD GLU A 90 85.814 10.165 -11.314 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.735 9.703 -10.661 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.959 10.925 -12.256 1.00 0.00 O ATOM 0 H GLU A 90 83.122 11.436 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 90 82.283 8.873 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.920 10.091 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.800 8.401 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.060 8.934 -11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.712 10.598 -11.116 1.00 0.00 H new ATOM 1436 N ARG A 91 83.103 9.253 -6.565 1.00 0.00 N ATOM 1437 CA ARG A 91 83.025 8.638 -5.249 1.00 0.00 C ATOM 1438 C ARG A 91 81.569 8.523 -4.816 1.00 0.00 C ATOM 1439 O ARG A 91 81.115 7.453 -4.419 1.00 0.00 O ATOM 1440 CB ARG A 91 83.786 9.485 -4.226 1.00 0.00 C ATOM 1441 CG ARG A 91 85.232 9.676 -4.685 1.00 0.00 C ATOM 1442 CD ARG A 91 86.037 10.392 -3.591 1.00 0.00 C ATOM 1443 NE ARG A 91 86.589 11.639 -4.110 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.080 12.568 -3.296 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.081 12.371 -2.005 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.564 13.676 -3.786 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.416 10.224 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 91 83.472 7.645 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.301 10.454 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.766 8.999 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.683 8.709 -4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.256 10.258 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.397 10.598 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.842 9.747 -3.240 1.00 0.00 H new ATOM 0 HE ARG A 91 86.598 11.801 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.705 11.504 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.458 13.084 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.566 13.830 -4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.941 14.388 -3.161 1.00 0.00 H new ATOM 1460 N GLU A 92 80.842 9.634 -4.895 1.00 0.00 N ATOM 1461 CA GLU A 92 79.437 9.641 -4.507 1.00 0.00 C ATOM 1462 C GLU A 92 78.668 8.589 -5.299 1.00 0.00 C ATOM 1463 O GLU A 92 77.995 7.735 -4.723 1.00 0.00 O ATOM 1464 CB GLU A 92 78.830 11.028 -4.759 1.00 0.00 C ATOM 1465 CG GLU A 92 77.667 11.270 -3.792 1.00 0.00 C ATOM 1466 CD GLU A 92 76.717 10.077 -3.802 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.318 9.671 -4.880 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.402 9.587 -2.730 1.00 0.00 O ATOM 0 H GLU A 92 81.199 10.532 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 92 79.365 9.407 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.591 11.797 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.480 11.100 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 92 78.050 11.431 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.130 12.175 -4.077 1.00 0.00 H new ATOM 1475 N ASP A 93 78.782 8.648 -6.623 1.00 0.00 N ATOM 1476 CA ASP A 93 78.103 7.682 -7.476 1.00 0.00 C ATOM 1477 C ASP A 93 78.538 6.269 -7.107 1.00 0.00 C ATOM 1478 O ASP A 93 77.707 5.390 -6.879 1.00 0.00 O ATOM 1479 CB ASP A 93 78.431 7.954 -8.945 1.00 0.00 C ATOM 1480 CG ASP A 93 77.913 9.329 -9.351 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.132 9.891 -8.600 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.304 9.801 -10.406 1.00 0.00 O1- ATOM 0 H ASP A 93 79.332 9.347 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 93 77.027 7.778 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.509 7.902 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.981 7.187 -9.574 1.00 0.00 H new ATOM 1487 N LEU A 94 79.851 6.065 -7.041 1.00 0.00 N ATOM 1488 CA LEU A 94 80.398 4.760 -6.690 1.00 0.00 C ATOM 1489 C LEU A 94 79.854 4.301 -5.348 1.00 0.00 C ATOM 1490 O LEU A 94 79.588 3.117 -5.143 1.00 0.00 O ATOM 1491 CB LEU A 94 81.924 4.840 -6.603 1.00 0.00 C ATOM 1492 CG LEU A 94 82.492 3.502 -6.129 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.013 2.385 -7.053 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.020 3.565 -6.153 1.00 0.00 C ATOM 0 H LEU A 94 80.552 6.783 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 94 80.107 4.048 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.339 5.096 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.216 5.633 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 94 82.150 3.301 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.419 1.432 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.924 2.342 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.353 2.583 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.429 2.613 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.360 3.766 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.362 4.361 -5.492 1.00 0.00 H new ATOM 1506 N ILE A 95 79.705 5.247 -4.432 1.00 0.00 N ATOM 1507 CA ILE A 95 79.209 4.930 -3.107 1.00 0.00 C ATOM 1508 C ILE A 95 77.716 4.650 -3.155 1.00 0.00 C ATOM 1509 O ILE A 95 77.200 3.844 -2.381 1.00 0.00 O ATOM 1510 CB ILE A 95 79.528 6.079 -2.141 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.003 5.962 -1.711 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.616 5.992 -0.907 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.650 7.346 -1.579 1.00 0.00 C ATOM 0 H ILE A 95 79.920 6.233 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 95 79.706 4.030 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 95 79.358 7.037 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.067 5.435 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.552 5.368 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.847 6.810 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.574 6.063 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.779 5.041 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.691 7.234 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.606 7.861 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.114 7.928 -0.830 1.00 0.00 H new ATOM 1525 N ALA A 96 77.028 5.300 -4.085 1.00 0.00 N ATOM 1526 CA ALA A 96 75.599 5.082 -4.235 1.00 0.00 C ATOM 1527 C ALA A 96 75.353 3.620 -4.582 1.00 0.00 C ATOM 1528 O ALA A 96 74.385 3.010 -4.127 1.00 0.00 O ATOM 1529 CB ALA A 96 75.043 5.981 -5.339 1.00 0.00 C ATOM 0 H ALA A 96 77.431 5.973 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 96 75.094 5.327 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.972 5.809 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.220 7.025 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.540 5.750 -6.281 1.00 0.00 H new ATOM 1535 N TYR A 97 76.257 3.059 -5.382 1.00 0.00 N ATOM 1536 CA TYR A 97 76.146 1.663 -5.773 1.00 0.00 C ATOM 1537 C TYR A 97 76.524 0.767 -4.601 1.00 0.00 C ATOM 1538 O TYR A 97 75.766 -0.122 -4.223 1.00 0.00 O ATOM 1539 CB TYR A 97 77.062 1.369 -6.963 1.00 0.00 C ATOM 1540 CG TYR A 97 77.009 -0.109 -7.282 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.906 -0.638 -7.964 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.060 -0.949 -6.894 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.854 -2.005 -8.257 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.008 -2.316 -7.188 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.905 -2.845 -7.868 1.00 0.00 C ATOM 1546 OH TYR A 97 76.854 -4.194 -8.158 1.00 0.00 O ATOM 0 H TYR A 97 77.066 3.547 -5.767 1.00 0.00 H new ATOM 0 HA TYR A 97 75.115 1.462 -6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.749 1.951 -7.830 1.00 0.00 H new ATOM 0 HB3 TYR A 97 78.085 1.666 -6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.095 0.010 -8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.911 -0.542 -6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.003 -2.413 -8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.820 -2.963 -6.890 1.00 0.00 H new ATOM 0 HH TYR A 97 77.663 -4.632 -7.819 1.00 0.00 H new ATOM 1556 N LEU A 98 77.699 1.009 -4.025 1.00 0.00 N ATOM 1557 CA LEU A 98 78.158 0.219 -2.891 1.00 0.00 C ATOM 1558 C LEU A 98 77.053 0.110 -1.842 1.00 0.00 C ATOM 1559 O LEU A 98 77.045 -0.812 -1.029 1.00 0.00 O ATOM 1560 CB LEU A 98 79.398 0.870 -2.263 1.00 0.00 C ATOM 1561 CG LEU A 98 80.659 0.476 -3.052 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.756 1.528 -2.870 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.180 -0.866 -2.534 1.00 0.00 C ATOM 0 H LEU A 98 78.344 1.740 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 98 78.415 -0.779 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.286 1.954 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.497 0.556 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 98 80.400 0.404 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.640 1.233 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.399 2.492 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.011 1.609 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 98 82.074 -1.149 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.425 -0.777 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.413 -1.629 -2.666 1.00 0.00 H new ATOM 1575 N LYS A 99 76.123 1.061 -1.863 1.00 0.00 N ATOM 1576 CA LYS A 99 75.023 1.062 -0.902 1.00 0.00 C ATOM 1577 C LYS A 99 73.927 0.086 -1.328 1.00 0.00 C ATOM 1578 O LYS A 99 73.472 -0.733 -0.530 1.00 0.00 O ATOM 1579 CB LYS A 99 74.435 2.475 -0.775 1.00 0.00 C ATOM 1580 CG LYS A 99 75.273 3.302 0.208 1.00 0.00 C ATOM 1581 CD LYS A 99 74.511 4.574 0.597 1.00 0.00 C ATOM 1582 CE LYS A 99 74.462 5.531 -0.595 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.987 6.867 -0.137 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.108 1.834 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 99 75.416 0.744 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.419 2.961 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.403 2.419 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.493 2.712 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.229 3.564 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.499 4.321 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.999 5.057 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.450 5.619 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.795 5.139 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.727 7.444 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.157 6.748 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.745 7.342 0.393 1.00 0.00 H new ATOM 1597 N LYS A 100 73.502 0.181 -2.584 1.00 0.00 N ATOM 1598 CA LYS A 100 72.452 -0.701 -3.091 1.00 0.00 C ATOM 1599 C LYS A 100 72.990 -2.112 -3.313 1.00 0.00 C ATOM 1600 O LYS A 100 72.226 -3.076 -3.367 1.00 0.00 O ATOM 1601 CB LYS A 100 71.895 -0.157 -4.414 1.00 0.00 C ATOM 1602 CG LYS A 100 70.923 1.003 -4.148 1.00 0.00 C ATOM 1603 CD LYS A 100 71.706 2.311 -4.001 1.00 0.00 C ATOM 1604 CE LYS A 100 70.745 3.457 -3.668 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.386 3.147 -4.197 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.862 0.851 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 100 71.656 -0.738 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.714 0.184 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.383 -0.953 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.208 1.086 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 100 70.349 0.808 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 100 72.454 2.211 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 100 72.242 2.530 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.700 3.604 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.110 4.388 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.803 4.008 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.465 2.798 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.940 2.418 -3.604 1.00 0.00 H new ATOM 1619 N ALA A 101 74.306 -2.227 -3.449 1.00 0.00 N ATOM 1620 CA ALA A 101 74.935 -3.524 -3.672 1.00 0.00 C ATOM 1621 C ALA A 101 75.215 -4.227 -2.349 1.00 0.00 C ATOM 1622 O ALA A 101 75.191 -5.455 -2.272 1.00 0.00 O ATOM 1623 CB ALA A 101 76.246 -3.341 -4.439 1.00 0.00 C ATOM 0 H ALA A 101 74.956 -1.442 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 101 74.250 -4.139 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.711 -4.313 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.042 -2.870 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.920 -2.709 -3.861 1.00 0.00 H new ATOM 1629 N THR A 102 75.478 -3.442 -1.309 1.00 0.00 N ATOM 1630 CA THR A 102 75.763 -4.006 0.006 1.00 0.00 C ATOM 1631 C THR A 102 74.472 -4.197 0.786 1.00 0.00 C ATOM 1632 O THR A 102 74.471 -4.738 1.892 1.00 0.00 O ATOM 1633 CB THR A 102 76.699 -3.076 0.781 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.112 -1.784 0.870 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.042 -2.982 0.056 1.00 0.00 C ATOM 0 H THR A 102 75.500 -2.423 -1.350 1.00 0.00 H new ATOM 0 HA THR A 102 76.246 -4.974 -0.126 1.00 0.00 H new ATOM 0 HB THR A 102 76.859 -3.472 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.243 -1.306 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.708 -2.319 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.490 -3.974 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.887 -2.586 -0.948 1.00 0.00 H new ATOM 1643 N ASN A 103 73.373 -3.745 0.195 1.00 0.00 N ATOM 1644 CA ASN A 103 72.066 -3.860 0.825 1.00 0.00 C ATOM 1645 C ASN A 103 71.343 -5.103 0.315 1.00 0.00 C ATOM 1646 O ASN A 103 70.469 -5.647 0.990 1.00 0.00 O ATOM 1647 CB ASN A 103 71.239 -2.613 0.509 1.00 0.00 C ATOM 1648 CG ASN A 103 71.616 -1.482 1.456 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.798 -1.475 2.003 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.813 -0.583 1.704 1.00 0.00 N flip ATOM 0 H ASN A 103 73.362 -3.295 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 103 72.195 -3.948 1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.409 -2.306 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.177 -2.838 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.888 -0.592 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 103 71.072 0.171 2.340 1.00 0.00 H new ATOM 1657 N GLU A 104 71.716 -5.544 -0.880 1.00 0.00 N ATOM 1658 CA GLU A 104 71.100 -6.724 -1.477 1.00 0.00 C ATOM 1659 C GLU A 104 71.560 -7.988 -0.757 1.00 0.00 C ATOM 1660 O GLU A 104 72.347 -8.721 -1.333 1.00 0.00 O ATOM 1661 CB GLU A 104 71.471 -6.815 -2.959 1.00 0.00 C ATOM 1662 CG GLU A 104 70.674 -5.775 -3.751 1.00 0.00 C ATOM 1663 CD GLU A 104 69.235 -6.245 -3.930 1.00 0.00 C ATOM 1664 OE1 GLU A 104 69.049 -7.394 -4.295 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.340 -5.448 -3.699 1.00 0.00 O ATOM 1666 OXT GLU A 104 71.116 -8.205 0.359 1.00 0.00 O ATOM 0 H GLU A 104 72.438 -5.106 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 104 70.018 -6.635 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 104 72.540 -6.645 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.260 -7.815 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.690 -4.818 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.137 -5.615 -4.725 1.00 0.00 H new