USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0355 (180deg=-0.934) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.479 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.935 F(o=-2.2!,f=-0.94) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= -0.125 (180deg=-0.741) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 20:sc= 0.951 USER MOD Single : A 34 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -64:sc= 0.901 USER MOD Single : A 50 GLN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.632 K(o=-0.63,f=-1.6) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.56) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -1.71 (180deg=-2.38) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 81 LYS NZ :NH3+ -112:sc= -1.75 (180deg=-3.91!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.131) USER MOD Single : A 87 ASN : amide:sc= -0.0647 K(o=-0.065,f=-1.5!) USER MOD Single : A 89 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.0078) USER MOD Single : A 90 GLN : amide:sc= -1.16! X(o=-1.2!,f=-0.98) USER MOD Single : A 100 ASN : amide:sc= -2.23 K(o=-2.2,f=-5.4!) USER MOD Single : A 103 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-1.7!) USER MOD Single : A 104 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=-0.55) USER MOD Single : A 105 HIS : no HD1:sc= -0.0821 K(o=-0.082,f=-2.2) USER MOD Single : A 106 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.019) USER MOD Single : A 107 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.31) USER MOD Single : A 108 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.261 17.208 2.855 1.00 0.00 N ATOM 2 CA MET A 1 -12.547 17.949 3.935 1.00 0.00 C ATOM 3 C MET A 1 -11.302 18.612 3.351 1.00 0.00 C ATOM 4 O MET A 1 -11.007 18.462 2.164 1.00 0.00 O ATOM 5 CB MET A 1 -12.143 16.973 5.049 1.00 0.00 C ATOM 6 CG MET A 1 -13.252 15.938 5.260 1.00 0.00 C ATOM 7 SD MET A 1 -13.155 15.281 6.944 1.00 0.00 S ATOM 8 CE MET A 1 -14.454 14.031 6.776 1.00 0.00 C ATOM 0 H1 MET A 1 -14.264 17.105 3.109 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.182 17.735 1.962 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.835 16.266 2.740 1.00 0.00 H new ATOM 0 HA MET A 1 -13.203 18.713 4.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.211 16.472 4.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.961 17.519 5.975 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.227 16.395 5.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.151 15.129 4.537 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.566 13.494 7.718 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.396 14.517 6.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.183 13.329 5.988 1.00 0.00 H new ATOM 20 N ASP A 2 -10.573 19.338 4.194 1.00 0.00 N ATOM 21 CA ASP A 2 -9.357 20.014 3.756 1.00 0.00 C ATOM 22 C ASP A 2 -8.355 18.999 3.208 1.00 0.00 C ATOM 23 O ASP A 2 -7.891 18.117 3.933 1.00 0.00 O ATOM 24 CB ASP A 2 -8.733 20.781 4.927 1.00 0.00 C ATOM 25 CG ASP A 2 -9.795 21.633 5.618 1.00 0.00 C ATOM 26 OD1 ASP A 2 -10.456 21.118 6.508 1.00 0.00 O ATOM 27 OD2 ASP A 2 -9.936 22.786 5.246 1.00 0.00 O ATOM 0 H ASP A 2 -10.802 19.473 5.179 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.614 20.718 2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.296 20.081 5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.924 21.416 4.567 1.00 0.00 H new ATOM 32 N GLY A 3 -8.035 19.125 1.922 1.00 0.00 N ATOM 33 CA GLY A 3 -7.097 18.211 1.275 1.00 0.00 C ATOM 34 C GLY A 3 -5.658 18.520 1.674 1.00 0.00 C ATOM 35 O GLY A 3 -4.844 18.912 0.836 1.00 0.00 O ATOM 0 H GLY A 3 -8.410 19.849 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.340 17.184 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.201 18.286 0.193 1.00 0.00 H new ATOM 39 N VAL A 4 -5.351 18.336 2.957 1.00 0.00 N ATOM 40 CA VAL A 4 -4.006 18.593 3.466 1.00 0.00 C ATOM 41 C VAL A 4 -2.957 17.830 2.655 1.00 0.00 C ATOM 42 O VAL A 4 -3.014 16.604 2.546 1.00 0.00 O ATOM 43 CB VAL A 4 -3.911 18.176 4.939 1.00 0.00 C ATOM 44 CG1 VAL A 4 -4.770 19.108 5.799 1.00 0.00 C ATOM 45 CG2 VAL A 4 -4.407 16.731 5.106 1.00 0.00 C ATOM 0 H VAL A 4 -6.014 18.011 3.661 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.811 19.661 3.374 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.871 18.242 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.699 18.807 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.415 20.133 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.809 19.048 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.337 16.441 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.445 16.662 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.792 16.063 4.503 1.00 0.00 H new ATOM 55 N MET A 5 -1.999 18.568 2.098 1.00 0.00 N ATOM 56 CA MET A 5 -0.925 17.966 1.304 1.00 0.00 C ATOM 57 C MET A 5 -1.478 16.944 0.306 1.00 0.00 C ATOM 58 O MET A 5 -2.657 16.982 -0.050 1.00 0.00 O ATOM 59 CB MET A 5 0.085 17.287 2.237 1.00 0.00 C ATOM 60 CG MET A 5 1.489 17.351 1.626 1.00 0.00 C ATOM 61 SD MET A 5 2.441 15.907 2.159 1.00 0.00 S ATOM 62 CE MET A 5 3.891 16.184 1.112 1.00 0.00 C ATOM 0 H MET A 5 -1.943 19.583 2.181 1.00 0.00 H new ATOM 0 HA MET A 5 -0.432 18.757 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 5 0.080 17.778 3.210 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.202 16.248 2.402 1.00 0.00 H new ATOM 0 HG2 MET A 5 1.424 17.376 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.992 18.267 1.937 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.620 15.393 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.590 16.179 0.064 1.00 0.00 H new ATOM 0 HE3 MET A 5 4.337 17.148 1.356 1.00 0.00 H new ATOM 72 N SER A 6 -0.613 16.033 -0.143 1.00 0.00 N ATOM 73 CA SER A 6 -1.010 15.003 -1.098 1.00 0.00 C ATOM 74 C SER A 6 -1.669 13.823 -0.382 1.00 0.00 C ATOM 75 O SER A 6 -1.915 13.880 0.825 1.00 0.00 O ATOM 76 CB SER A 6 0.220 14.519 -1.874 1.00 0.00 C ATOM 77 OG SER A 6 0.770 13.372 -1.234 1.00 0.00 O ATOM 0 H SER A 6 0.366 15.989 0.140 1.00 0.00 H new ATOM 0 HA SER A 6 -1.734 15.432 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.057 14.277 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.966 15.312 -1.924 1.00 0.00 H new ATOM 0 HG SER A 6 1.555 13.064 -1.733 1.00 0.00 H new ATOM 83 N ALA A 7 -1.927 12.751 -1.132 1.00 0.00 N ATOM 84 CA ALA A 7 -2.527 11.550 -0.566 1.00 0.00 C ATOM 85 C ALA A 7 -1.675 11.070 0.593 1.00 0.00 C ATOM 86 O ALA A 7 -2.177 10.501 1.564 1.00 0.00 O ATOM 87 CB ALA A 7 -2.620 10.451 -1.627 1.00 0.00 C ATOM 0 H ALA A 7 -1.729 12.693 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.533 11.782 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.070 9.560 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.235 10.798 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.621 10.211 -1.991 1.00 0.00 H new ATOM 93 N VAL A 8 -0.372 11.308 0.470 1.00 0.00 N ATOM 94 CA VAL A 8 0.568 10.908 1.496 1.00 0.00 C ATOM 95 C VAL A 8 0.711 12.015 2.537 1.00 0.00 C ATOM 96 O VAL A 8 0.681 13.199 2.201 1.00 0.00 O ATOM 97 CB VAL A 8 1.932 10.602 0.869 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.893 10.076 1.939 1.00 0.00 C ATOM 99 CG2 VAL A 8 1.763 9.545 -0.228 1.00 0.00 C ATOM 0 H VAL A 8 0.050 11.776 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 8 0.193 10.009 1.985 1.00 0.00 H new ATOM 0 HB VAL A 8 2.341 11.516 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.860 9.861 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.017 10.828 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.487 9.164 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.733 9.326 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.349 8.634 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.087 9.922 -0.995 1.00 0.00 H new ATOM 109 N THR A 9 0.865 11.621 3.798 1.00 0.00 N ATOM 110 CA THR A 9 1.010 12.588 4.882 1.00 0.00 C ATOM 111 C THR A 9 2.032 12.097 5.899 1.00 0.00 C ATOM 112 O THR A 9 1.844 11.058 6.531 1.00 0.00 O ATOM 113 CB THR A 9 -0.339 12.810 5.573 1.00 0.00 C ATOM 114 OG1 THR A 9 -1.327 13.115 4.598 1.00 0.00 O ATOM 115 CG2 THR A 9 -0.222 13.973 6.563 1.00 0.00 C ATOM 0 H THR A 9 0.893 10.645 4.093 1.00 0.00 H new ATOM 0 HA THR A 9 1.357 13.531 4.460 1.00 0.00 H new ATOM 0 HB THR A 9 -0.625 11.905 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.190 13.256 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.182 14.131 7.054 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.535 13.739 7.312 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.065 14.879 6.028 1.00 0.00 H new ATOM 123 N VAL A 10 3.112 12.857 6.052 1.00 0.00 N ATOM 124 CA VAL A 10 4.165 12.501 6.996 1.00 0.00 C ATOM 125 C VAL A 10 3.775 12.917 8.411 1.00 0.00 C ATOM 126 O VAL A 10 3.112 13.937 8.605 1.00 0.00 O ATOM 127 CB VAL A 10 5.476 13.191 6.600 1.00 0.00 C ATOM 128 CG1 VAL A 10 6.640 12.579 7.386 1.00 0.00 C ATOM 129 CG2 VAL A 10 5.723 13.004 5.100 1.00 0.00 C ATOM 0 H VAL A 10 3.280 13.721 5.536 1.00 0.00 H new ATOM 0 HA VAL A 10 4.302 11.420 6.971 1.00 0.00 H new ATOM 0 HB VAL A 10 5.404 14.254 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.570 13.072 7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.469 12.715 8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.710 11.515 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.655 13.495 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.791 11.940 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.899 13.443 4.538 1.00 0.00 H new ATOM 139 N ASN A 11 4.194 12.122 9.392 1.00 0.00 N ATOM 140 CA ASN A 11 3.889 12.411 10.791 1.00 0.00 C ATOM 141 C ASN A 11 5.034 11.956 11.689 1.00 0.00 C ATOM 142 O ASN A 11 5.837 11.102 11.310 1.00 0.00 O ATOM 143 CB ASN A 11 2.600 11.706 11.220 1.00 0.00 C ATOM 144 CG ASN A 11 1.504 11.927 10.181 1.00 0.00 C ATOM 145 OD1 ASN A 11 1.220 10.979 9.331 1.00 0.00 O flip ATOM 146 ND2 ASN A 11 0.890 12.993 10.146 1.00 0.00 N flip ATOM 0 H ASN A 11 4.744 11.275 9.245 1.00 0.00 H new ATOM 0 HA ASN A 11 3.757 13.488 10.891 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.785 10.639 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.275 12.086 12.188 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.114 13.733 10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.157 13.137 9.451 1.00 0.00 H new ATOM 153 N ASP A 12 5.102 12.545 12.876 1.00 0.00 N ATOM 154 CA ASP A 12 6.152 12.219 13.839 1.00 0.00 C ATOM 155 C ASP A 12 6.142 10.731 14.196 1.00 0.00 C ATOM 156 O ASP A 12 7.178 10.167 14.550 1.00 0.00 O ATOM 157 CB ASP A 12 5.973 13.054 15.117 1.00 0.00 C ATOM 158 CG ASP A 12 5.316 14.398 14.801 1.00 0.00 C ATOM 159 OD1 ASP A 12 5.652 14.982 13.781 1.00 0.00 O ATOM 160 OD2 ASP A 12 4.489 14.829 15.587 1.00 0.00 O ATOM 0 H ASP A 12 4.442 13.253 13.198 1.00 0.00 H new ATOM 0 HA ASP A 12 7.111 12.454 13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.361 12.505 15.833 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.942 13.220 15.587 1.00 0.00 H new ATOM 165 N ASP A 13 4.970 10.104 14.115 1.00 0.00 N ATOM 166 CA ASP A 13 4.845 8.686 14.449 1.00 0.00 C ATOM 167 C ASP A 13 4.936 7.809 13.204 1.00 0.00 C ATOM 168 O ASP A 13 5.171 6.605 13.304 1.00 0.00 O ATOM 169 CB ASP A 13 3.503 8.432 15.144 1.00 0.00 C ATOM 170 CG ASP A 13 3.525 8.957 16.582 1.00 0.00 C ATOM 171 OD1 ASP A 13 4.495 9.600 16.954 1.00 0.00 O ATOM 172 OD2 ASP A 13 2.566 8.706 17.292 1.00 0.00 O ATOM 0 H ASP A 13 4.100 10.550 13.824 1.00 0.00 H new ATOM 0 HA ASP A 13 5.668 8.428 15.115 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.702 8.919 14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.286 7.364 15.146 1.00 0.00 H new ATOM 177 N GLY A 14 4.750 8.411 12.034 1.00 0.00 N ATOM 178 CA GLY A 14 4.812 7.661 10.784 1.00 0.00 C ATOM 179 C GLY A 14 4.170 8.450 9.650 1.00 0.00 C ATOM 180 O GLY A 14 4.329 9.665 9.573 1.00 0.00 O ATOM 0 H GLY A 14 4.557 9.407 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.851 7.440 10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.302 6.705 10.902 1.00 0.00 H new ATOM 184 N LEU A 15 3.449 7.759 8.768 1.00 0.00 N ATOM 185 CA LEU A 15 2.799 8.435 7.644 1.00 0.00 C ATOM 186 C LEU A 15 1.504 7.736 7.237 1.00 0.00 C ATOM 187 O LEU A 15 1.456 6.512 7.110 1.00 0.00 O ATOM 188 CB LEU A 15 3.751 8.493 6.443 1.00 0.00 C ATOM 189 CG LEU A 15 4.342 7.102 6.169 1.00 0.00 C ATOM 190 CD1 LEU A 15 4.559 6.924 4.664 1.00 0.00 C ATOM 191 CD2 LEU A 15 5.685 6.958 6.895 1.00 0.00 C ATOM 0 H LEU A 15 3.301 6.751 8.806 1.00 0.00 H new ATOM 0 HA LEU A 15 2.551 9.446 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.216 8.849 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.553 9.205 6.639 1.00 0.00 H new ATOM 0 HG LEU A 15 3.650 6.342 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.978 5.937 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.605 7.021 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.248 7.688 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.101 5.970 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.376 7.721 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.534 7.081 7.967 1.00 0.00 H new ATOM 203 N VAL A 16 0.458 8.534 7.018 1.00 0.00 N ATOM 204 CA VAL A 16 -0.841 8.004 6.608 1.00 0.00 C ATOM 205 C VAL A 16 -0.913 7.930 5.084 1.00 0.00 C ATOM 206 O VAL A 16 -0.257 8.706 4.387 1.00 0.00 O ATOM 207 CB VAL A 16 -1.969 8.901 7.146 1.00 0.00 C ATOM 208 CG1 VAL A 16 -3.268 8.633 6.377 1.00 0.00 C ATOM 209 CG2 VAL A 16 -2.195 8.603 8.630 1.00 0.00 C ATOM 0 H VAL A 16 0.486 9.549 7.118 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.962 7.002 7.019 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.682 9.945 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.060 9.273 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.115 8.847 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.554 7.588 6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.994 9.239 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.474 7.556 8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.278 8.801 9.185 1.00 0.00 H new ATOM 219 N LEU A 17 -1.718 6.999 4.575 1.00 0.00 N ATOM 220 CA LEU A 17 -1.873 6.834 3.130 1.00 0.00 C ATOM 221 C LEU A 17 -3.323 6.508 2.780 1.00 0.00 C ATOM 222 O LEU A 17 -3.993 5.767 3.501 1.00 0.00 O ATOM 223 CB LEU A 17 -0.971 5.702 2.620 1.00 0.00 C ATOM 224 CG LEU A 17 0.495 5.994 2.967 1.00 0.00 C ATOM 225 CD1 LEU A 17 0.863 5.296 4.279 1.00 0.00 C ATOM 226 CD2 LEU A 17 1.400 5.474 1.845 1.00 0.00 C ATOM 0 H LEU A 17 -2.270 6.351 5.137 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.587 7.771 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.276 4.755 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.083 5.597 1.541 1.00 0.00 H new ATOM 0 HG LEU A 17 0.631 7.070 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.905 5.505 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.222 5.665 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.725 4.220 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.441 5.682 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.261 4.399 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.143 5.971 0.910 1.00 0.00 H new ATOM 238 N ARG A 18 -3.796 7.063 1.666 1.00 0.00 N ATOM 239 CA ARG A 18 -5.162 6.820 1.212 1.00 0.00 C ATOM 240 C ARG A 18 -5.206 5.558 0.351 1.00 0.00 C ATOM 241 O ARG A 18 -4.648 5.529 -0.746 1.00 0.00 O ATOM 242 CB ARG A 18 -5.664 8.018 0.401 1.00 0.00 C ATOM 243 CG ARG A 18 -6.220 9.088 1.348 1.00 0.00 C ATOM 244 CD ARG A 18 -7.639 8.705 1.782 1.00 0.00 C ATOM 245 NE ARG A 18 -8.391 9.898 2.159 1.00 0.00 N ATOM 246 CZ ARG A 18 -9.138 10.550 1.273 1.00 0.00 C ATOM 247 NH1 ARG A 18 -10.059 9.915 0.601 1.00 0.00 N ATOM 248 NH2 ARG A 18 -8.953 11.827 1.078 1.00 0.00 N ATOM 0 H ARG A 18 -3.255 7.682 1.063 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.806 6.683 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.850 8.433 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.438 7.698 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.576 9.185 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.231 10.058 0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.148 8.187 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.595 8.013 2.623 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.343 10.238 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.206 8.918 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.631 10.416 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.236 12.325 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.526 12.327 0.398 1.00 0.00 H new ATOM 262 N LEU A 19 -5.860 4.514 0.861 1.00 0.00 N ATOM 263 CA LEU A 19 -5.951 3.253 0.126 1.00 0.00 C ATOM 264 C LEU A 19 -7.340 3.066 -0.482 1.00 0.00 C ATOM 265 O LEU A 19 -8.314 3.687 -0.050 1.00 0.00 O ATOM 266 CB LEU A 19 -5.647 2.071 1.057 1.00 0.00 C ATOM 267 CG LEU A 19 -4.160 2.057 1.449 1.00 0.00 C ATOM 268 CD1 LEU A 19 -3.286 1.946 0.197 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.806 3.339 2.208 1.00 0.00 C ATOM 0 H LEU A 19 -6.328 4.515 1.767 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.217 3.287 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.264 2.139 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.907 1.135 0.562 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.977 1.196 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.235 1.937 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.524 1.024 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.475 2.798 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.751 3.320 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.001 4.203 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.414 3.407 3.110 1.00 0.00 H new ATOM 281 N TYR A 20 -7.411 2.193 -1.483 1.00 0.00 N ATOM 282 CA TYR A 20 -8.660 1.894 -2.166 1.00 0.00 C ATOM 283 C TYR A 20 -8.552 0.521 -2.820 1.00 0.00 C ATOM 284 O TYR A 20 -8.098 0.395 -3.958 1.00 0.00 O ATOM 285 CB TYR A 20 -8.949 2.963 -3.223 1.00 0.00 C ATOM 286 CG TYR A 20 -10.396 2.877 -3.650 1.00 0.00 C ATOM 287 CD1 TYR A 20 -11.372 3.613 -2.968 1.00 0.00 C ATOM 288 CD2 TYR A 20 -10.759 2.070 -4.737 1.00 0.00 C ATOM 289 CE1 TYR A 20 -12.710 3.542 -3.372 1.00 0.00 C ATOM 290 CE2 TYR A 20 -12.097 1.998 -5.139 1.00 0.00 C ATOM 291 CZ TYR A 20 -13.072 2.735 -4.458 1.00 0.00 C ATOM 292 OH TYR A 20 -14.391 2.669 -4.857 1.00 0.00 O ATOM 0 H TYR A 20 -6.607 1.677 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.479 1.890 -1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.737 3.953 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.296 2.822 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.093 4.235 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.006 1.504 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.464 4.110 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.377 1.374 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.471 2.066 -5.625 1.00 0.00 H new ATOM 302 N ILE A 21 -8.950 -0.513 -2.082 1.00 0.00 N ATOM 303 CA ILE A 21 -8.866 -1.875 -2.599 1.00 0.00 C ATOM 304 C ILE A 21 -9.877 -2.086 -3.723 1.00 0.00 C ATOM 305 O ILE A 21 -10.897 -1.400 -3.796 1.00 0.00 O ATOM 306 CB ILE A 21 -9.095 -2.890 -1.466 1.00 0.00 C ATOM 307 CG1 ILE A 21 -7.808 -3.030 -0.642 1.00 0.00 C ATOM 308 CG2 ILE A 21 -9.460 -4.259 -2.052 1.00 0.00 C ATOM 309 CD1 ILE A 21 -7.460 -1.695 0.022 1.00 0.00 C ATOM 0 H ILE A 21 -9.328 -0.436 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.867 -2.031 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.910 -2.537 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.936 -3.801 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.988 -3.350 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.620 -4.971 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.372 -4.171 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.648 -4.611 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.545 -1.806 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.312 -0.935 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.275 -1.393 0.680 1.00 0.00 H new ATOM 321 N GLN A 22 -9.564 -3.032 -4.606 1.00 0.00 N ATOM 322 CA GLN A 22 -10.417 -3.335 -5.747 1.00 0.00 C ATOM 323 C GLN A 22 -10.507 -4.849 -5.950 1.00 0.00 C ATOM 324 O GLN A 22 -9.526 -5.488 -6.332 1.00 0.00 O ATOM 325 CB GLN A 22 -9.833 -2.681 -7.004 1.00 0.00 C ATOM 326 CG GLN A 22 -10.909 -2.576 -8.088 1.00 0.00 C ATOM 327 CD GLN A 22 -11.622 -1.231 -7.990 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.160 -0.886 -6.937 1.00 0.00 O ATOM 329 NE2 GLN A 22 -11.657 -0.445 -9.033 1.00 0.00 N ATOM 0 H GLN A 22 -8.721 -3.603 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.417 -2.944 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.450 -1.689 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.991 -3.268 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.456 -2.685 -9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.629 -3.387 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.211 -0.733 -9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.131 0.457 -8.976 1.00 0.00 H new ATOM 338 N PRO A 23 -11.657 -5.428 -5.703 1.00 0.00 N ATOM 339 CA PRO A 23 -11.859 -6.893 -5.867 1.00 0.00 C ATOM 340 C PRO A 23 -11.683 -7.331 -7.318 1.00 0.00 C ATOM 341 O PRO A 23 -11.544 -6.493 -8.211 1.00 0.00 O ATOM 342 CB PRO A 23 -13.287 -7.164 -5.378 1.00 0.00 C ATOM 343 CG PRO A 23 -13.870 -5.857 -4.935 1.00 0.00 C ATOM 344 CD PRO A 23 -12.870 -4.742 -5.247 1.00 0.00 C ATOM 0 HA PRO A 23 -11.120 -7.459 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.888 -7.601 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.281 -7.879 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.814 -5.672 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.086 -5.882 -3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.255 -4.072 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.670 -4.134 -4.364 1.00 0.00 H new ATOM 352 N LYS A 24 -11.674 -8.646 -7.541 1.00 0.00 N ATOM 353 CA LYS A 24 -11.492 -9.201 -8.886 1.00 0.00 C ATOM 354 C LYS A 24 -10.050 -8.988 -9.347 1.00 0.00 C ATOM 355 O LYS A 24 -9.453 -9.871 -9.959 1.00 0.00 O ATOM 356 CB LYS A 24 -12.459 -8.552 -9.889 1.00 0.00 C ATOM 357 CG LYS A 24 -13.892 -8.589 -9.342 1.00 0.00 C ATOM 358 CD LYS A 24 -14.816 -7.776 -10.256 1.00 0.00 C ATOM 359 CE LYS A 24 -14.439 -6.292 -10.191 1.00 0.00 C ATOM 360 NZ LYS A 24 -13.675 -5.919 -11.416 1.00 0.00 N ATOM 0 H LYS A 24 -11.790 -9.347 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.708 -10.269 -8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.161 -7.521 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.412 -9.077 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.241 -9.620 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.916 -8.183 -8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.736 -8.136 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.854 -7.910 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.338 -5.681 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.839 -6.097 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.975 -5.187 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.186 -6.758 -11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.330 -5.551 -12.135 1.00 0.00 H new ATOM 373 N ALA A 25 -9.506 -7.809 -9.023 1.00 0.00 N ATOM 374 CA ALA A 25 -8.130 -7.439 -9.368 1.00 0.00 C ATOM 375 C ALA A 25 -7.725 -7.929 -10.756 1.00 0.00 C ATOM 376 O ALA A 25 -7.438 -9.110 -10.953 1.00 0.00 O ATOM 377 CB ALA A 25 -7.167 -8.009 -8.328 1.00 0.00 C ATOM 0 H ALA A 25 -10.010 -7.083 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.081 -6.350 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.145 -7.732 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.413 -7.607 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.254 -9.095 -8.308 1.00 0.00 H new ATOM 383 N SER A 26 -7.670 -7.004 -11.710 1.00 0.00 N ATOM 384 CA SER A 26 -7.273 -7.352 -13.067 1.00 0.00 C ATOM 385 C SER A 26 -5.801 -7.766 -13.087 1.00 0.00 C ATOM 386 O SER A 26 -5.321 -8.339 -14.064 1.00 0.00 O ATOM 387 CB SER A 26 -7.488 -6.158 -14.000 1.00 0.00 C ATOM 388 OG SER A 26 -8.799 -5.642 -13.811 1.00 0.00 O ATOM 0 H SER A 26 -7.893 -6.019 -11.569 1.00 0.00 H new ATOM 0 HA SER A 26 -7.885 -8.186 -13.411 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.748 -5.385 -13.795 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.351 -6.464 -15.037 1.00 0.00 H new ATOM 0 HG SER A 26 -8.938 -4.876 -14.406 1.00 0.00 H new ATOM 394 N ARG A 27 -5.100 -7.477 -11.989 1.00 0.00 N ATOM 395 CA ARG A 27 -3.685 -7.825 -11.863 1.00 0.00 C ATOM 396 C ARG A 27 -3.216 -7.643 -10.415 1.00 0.00 C ATOM 397 O ARG A 27 -4.030 -7.606 -9.491 1.00 0.00 O ATOM 398 CB ARG A 27 -2.842 -6.961 -12.811 1.00 0.00 C ATOM 399 CG ARG A 27 -3.156 -5.477 -12.586 1.00 0.00 C ATOM 400 CD ARG A 27 -1.997 -4.615 -13.098 1.00 0.00 C ATOM 401 NE ARG A 27 -1.284 -5.296 -14.177 1.00 0.00 N ATOM 402 CZ ARG A 27 -0.163 -4.797 -14.692 1.00 0.00 C ATOM 403 NH1 ARG A 27 0.467 -3.832 -14.078 1.00 0.00 N ATOM 404 NH2 ARG A 27 0.309 -5.275 -15.810 1.00 0.00 N ATOM 0 H ARG A 27 -5.490 -7.003 -11.175 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.557 -8.872 -12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.782 -7.147 -12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.050 -7.233 -13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.077 -5.209 -13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.320 -5.288 -11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.379 -3.658 -13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.309 -4.399 -12.281 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.654 -6.173 -14.543 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.100 -3.460 -13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.326 -3.451 -14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.181 -6.031 -16.289 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.168 -4.893 -16.206 1.00 0.00 H new ATOM 418 N ASP A 28 -1.901 -7.539 -10.222 1.00 0.00 N ATOM 419 CA ASP A 28 -1.334 -7.369 -8.884 1.00 0.00 C ATOM 420 C ASP A 28 -1.762 -6.033 -8.274 1.00 0.00 C ATOM 421 O ASP A 28 -2.416 -5.221 -8.929 1.00 0.00 O ATOM 422 CB ASP A 28 0.199 -7.429 -8.952 1.00 0.00 C ATOM 423 CG ASP A 28 0.671 -8.756 -9.553 1.00 0.00 C ATOM 424 OD1 ASP A 28 -0.008 -9.278 -10.425 1.00 0.00 O ATOM 425 OD2 ASP A 28 1.715 -9.231 -9.135 1.00 0.00 O ATOM 0 H ASP A 28 -1.211 -7.569 -10.972 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.706 -8.177 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.572 -6.600 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.616 -7.310 -7.952 1.00 0.00 H new ATOM 430 N SER A 29 -1.387 -5.817 -7.012 1.00 0.00 N ATOM 431 CA SER A 29 -1.735 -4.582 -6.310 1.00 0.00 C ATOM 432 C SER A 29 -0.997 -3.381 -6.902 1.00 0.00 C ATOM 433 O SER A 29 -0.124 -3.535 -7.755 1.00 0.00 O ATOM 434 CB SER A 29 -1.394 -4.713 -4.826 1.00 0.00 C ATOM 435 OG SER A 29 -2.444 -5.402 -4.158 1.00 0.00 O ATOM 0 H SER A 29 -0.844 -6.479 -6.457 1.00 0.00 H new ATOM 0 HA SER A 29 -2.806 -4.418 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.455 -5.253 -4.704 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.254 -3.726 -4.385 1.00 0.00 H new ATOM 0 HG SER A 29 -2.969 -5.910 -4.811 1.00 0.00 H new ATOM 441 N ILE A 30 -1.367 -2.183 -6.436 1.00 0.00 N ATOM 442 CA ILE A 30 -0.753 -0.943 -6.912 1.00 0.00 C ATOM 443 C ILE A 30 -0.736 -0.908 -8.437 1.00 0.00 C ATOM 444 O ILE A 30 0.258 -1.272 -9.070 1.00 0.00 O ATOM 445 CB ILE A 30 0.674 -0.807 -6.367 1.00 0.00 C ATOM 446 CG1 ILE A 30 0.638 -0.791 -4.833 1.00 0.00 C ATOM 447 CG2 ILE A 30 1.297 0.501 -6.875 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.052 -0.575 -4.283 1.00 0.00 C ATOM 0 H ILE A 30 -2.090 -2.048 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.348 -0.105 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 30 1.272 -1.651 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.023 0.002 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.232 -1.731 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.311 0.596 -6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.325 0.491 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.698 1.346 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.021 -0.564 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.701 -1.384 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.441 0.377 -4.644 1.00 0.00 H new ATOM 460 N VAL A 31 -1.849 -0.476 -9.021 1.00 0.00 N ATOM 461 CA VAL A 31 -1.965 -0.405 -10.472 1.00 0.00 C ATOM 462 C VAL A 31 -1.708 1.014 -10.978 1.00 0.00 C ATOM 463 O VAL A 31 -1.147 1.199 -12.058 1.00 0.00 O ATOM 464 CB VAL A 31 -3.361 -0.867 -10.902 1.00 0.00 C ATOM 465 CG1 VAL A 31 -3.556 -0.618 -12.400 1.00 0.00 C ATOM 466 CG2 VAL A 31 -3.505 -2.364 -10.611 1.00 0.00 C ATOM 0 H VAL A 31 -2.680 -0.171 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.212 -1.061 -10.908 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.114 -0.307 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.551 -0.949 -12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.451 0.447 -12.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.805 -1.174 -12.962 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.497 -2.700 -10.915 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.748 -2.917 -11.167 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.373 -2.542 -9.544 1.00 0.00 H new ATOM 476 N GLY A 32 -2.129 2.011 -10.200 1.00 0.00 N ATOM 477 CA GLY A 32 -1.940 3.403 -10.603 1.00 0.00 C ATOM 478 C GLY A 32 -2.034 4.358 -9.418 1.00 0.00 C ATOM 479 O GLY A 32 -2.959 5.164 -9.337 1.00 0.00 O ATOM 0 H GLY A 32 -2.596 1.884 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.967 3.513 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.692 3.671 -11.345 1.00 0.00 H new ATOM 483 N LEU A 33 -1.072 4.266 -8.507 1.00 0.00 N ATOM 484 CA LEU A 33 -1.054 5.136 -7.339 1.00 0.00 C ATOM 485 C LEU A 33 -0.895 6.600 -7.762 1.00 0.00 C ATOM 486 O LEU A 33 -0.034 6.932 -8.577 1.00 0.00 O ATOM 487 CB LEU A 33 0.084 4.718 -6.395 1.00 0.00 C ATOM 488 CG LEU A 33 1.453 5.150 -6.948 1.00 0.00 C ATOM 489 CD1 LEU A 33 2.550 4.695 -5.983 1.00 0.00 C ATOM 490 CD2 LEU A 33 1.697 4.507 -8.319 1.00 0.00 C ATOM 0 H LEU A 33 -0.299 3.602 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.002 5.038 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.072 5.165 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.069 3.637 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 33 1.468 6.235 -7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.523 4.998 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.389 5.152 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.521 3.610 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.669 4.820 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.679 3.422 -8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.917 4.821 -9.012 1.00 0.00 H new ATOM 502 N HIS A 34 -1.740 7.469 -7.207 1.00 0.00 N ATOM 503 CA HIS A 34 -1.687 8.894 -7.536 1.00 0.00 C ATOM 504 C HIS A 34 -1.897 9.743 -6.284 1.00 0.00 C ATOM 505 O HIS A 34 -2.251 9.225 -5.223 1.00 0.00 O ATOM 506 CB HIS A 34 -2.766 9.242 -8.570 1.00 0.00 C ATOM 507 CG HIS A 34 -2.447 8.586 -9.886 1.00 0.00 C ATOM 508 ND1 HIS A 34 -3.174 7.509 -10.367 1.00 0.00 N ATOM 509 CD2 HIS A 34 -1.492 8.848 -10.837 1.00 0.00 C ATOM 510 CE1 HIS A 34 -2.650 7.164 -11.558 1.00 0.00 C ATOM 511 NE2 HIS A 34 -1.623 7.948 -11.892 1.00 0.00 N ATOM 0 H HIS A 34 -2.463 7.215 -6.534 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.703 9.108 -7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.742 8.910 -8.216 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.824 10.323 -8.698 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.963 7.059 -9.903 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.752 9.632 -10.776 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.016 6.352 -12.169 1.00 0.00 H new ATOM 519 N GLY A 35 -1.686 11.051 -6.420 1.00 0.00 N ATOM 520 CA GLY A 35 -1.860 11.975 -5.301 1.00 0.00 C ATOM 521 C GLY A 35 -3.326 12.058 -4.885 1.00 0.00 C ATOM 522 O GLY A 35 -3.662 12.675 -3.872 1.00 0.00 O ATOM 0 H GLY A 35 -1.395 11.494 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.256 11.646 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.501 12.965 -5.583 1.00 0.00 H new ATOM 526 N ASP A 36 -4.194 11.435 -5.677 1.00 0.00 N ATOM 527 CA ASP A 36 -5.625 11.439 -5.392 1.00 0.00 C ATOM 528 C ASP A 36 -5.982 10.273 -4.476 1.00 0.00 C ATOM 529 O ASP A 36 -6.250 10.463 -3.289 1.00 0.00 O ATOM 530 CB ASP A 36 -6.421 11.341 -6.698 1.00 0.00 C ATOM 531 CG ASP A 36 -5.929 12.387 -7.698 1.00 0.00 C ATOM 532 OD1 ASP A 36 -5.627 13.491 -7.276 1.00 0.00 O ATOM 533 OD2 ASP A 36 -5.863 12.064 -8.874 1.00 0.00 O ATOM 0 H ASP A 36 -3.932 10.922 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.880 12.372 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.314 10.343 -7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.482 11.490 -6.497 1.00 0.00 H new ATOM 538 N GLU A 37 -5.984 9.068 -5.039 1.00 0.00 N ATOM 539 CA GLU A 37 -6.309 7.871 -4.272 1.00 0.00 C ATOM 540 C GLU A 37 -5.516 6.681 -4.813 1.00 0.00 C ATOM 541 O GLU A 37 -5.469 6.460 -6.024 1.00 0.00 O ATOM 542 CB GLU A 37 -7.812 7.601 -4.372 1.00 0.00 C ATOM 543 CG GLU A 37 -8.172 6.320 -3.619 1.00 0.00 C ATOM 544 CD GLU A 37 -9.677 6.274 -3.378 1.00 0.00 C ATOM 545 OE1 GLU A 37 -10.396 5.961 -4.314 1.00 0.00 O ATOM 546 OE2 GLU A 37 -10.090 6.557 -2.266 1.00 0.00 O ATOM 0 H GLU A 37 -5.765 8.895 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.043 8.019 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.368 8.442 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.103 7.510 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.859 5.448 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.640 6.283 -2.668 1.00 0.00 H new ATOM 553 N VAL A 38 -4.885 5.929 -3.912 1.00 0.00 N ATOM 554 CA VAL A 38 -4.084 4.778 -4.323 1.00 0.00 C ATOM 555 C VAL A 38 -4.929 3.514 -4.420 1.00 0.00 C ATOM 556 O VAL A 38 -5.448 3.013 -3.416 1.00 0.00 O ATOM 557 CB VAL A 38 -2.936 4.536 -3.340 1.00 0.00 C ATOM 558 CG1 VAL A 38 -1.924 3.575 -3.976 1.00 0.00 C ATOM 559 CG2 VAL A 38 -2.248 5.865 -3.011 1.00 0.00 C ATOM 0 H VAL A 38 -4.912 6.093 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.680 5.007 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.328 4.101 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.103 3.398 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.415 2.629 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.533 4.013 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.431 5.688 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.853 6.306 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.970 6.547 -2.562 1.00 0.00 H new ATOM 569 N LYS A 39 -5.039 2.990 -5.636 1.00 0.00 N ATOM 570 CA LYS A 39 -5.793 1.769 -5.863 1.00 0.00 C ATOM 571 C LYS A 39 -4.975 0.566 -5.406 1.00 0.00 C ATOM 572 O LYS A 39 -3.746 0.627 -5.341 1.00 0.00 O ATOM 573 CB LYS A 39 -6.134 1.620 -7.348 1.00 0.00 C ATOM 574 CG LYS A 39 -7.052 2.766 -7.784 1.00 0.00 C ATOM 575 CD LYS A 39 -7.662 2.443 -9.152 1.00 0.00 C ATOM 576 CE LYS A 39 -6.654 2.768 -10.258 1.00 0.00 C ATOM 577 NZ LYS A 39 -7.159 2.242 -11.559 1.00 0.00 N ATOM 0 H LYS A 39 -4.617 3.391 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.719 1.820 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.221 1.626 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.623 0.662 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.842 2.913 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.488 3.697 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.939 1.390 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.575 3.019 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.503 3.846 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.686 2.324 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.475 2.462 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.281 1.211 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.073 2.685 -11.781 1.00 0.00 H new ATOM 590 N VAL A 40 -5.667 -0.522 -5.105 1.00 0.00 N ATOM 591 CA VAL A 40 -5.012 -1.747 -4.664 1.00 0.00 C ATOM 592 C VAL A 40 -5.889 -2.934 -5.040 1.00 0.00 C ATOM 593 O VAL A 40 -7.108 -2.873 -4.911 1.00 0.00 O ATOM 594 CB VAL A 40 -4.790 -1.714 -3.142 1.00 0.00 C ATOM 595 CG1 VAL A 40 -4.237 -3.063 -2.672 1.00 0.00 C ATOM 596 CG2 VAL A 40 -3.789 -0.605 -2.788 1.00 0.00 C ATOM 0 H VAL A 40 -6.684 -0.583 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.040 -1.838 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.741 -1.517 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.081 -3.036 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.948 -3.853 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.289 -3.261 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.635 -0.585 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.840 -0.799 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.181 0.358 -3.116 1.00 0.00 H new ATOM 606 N ALA A 41 -5.272 -4.002 -5.529 1.00 0.00 N ATOM 607 CA ALA A 41 -6.031 -5.178 -5.941 1.00 0.00 C ATOM 608 C ALA A 41 -5.244 -6.459 -5.682 1.00 0.00 C ATOM 609 O ALA A 41 -4.056 -6.546 -5.992 1.00 0.00 O ATOM 610 CB ALA A 41 -6.379 -5.070 -7.428 1.00 0.00 C ATOM 0 H ALA A 41 -4.262 -4.080 -5.649 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.948 -5.220 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.946 -5.949 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.978 -4.175 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.461 -5.008 -8.013 1.00 0.00 H new ATOM 616 N ILE A 42 -5.925 -7.449 -5.111 1.00 0.00 N ATOM 617 CA ILE A 42 -5.299 -8.734 -4.802 1.00 0.00 C ATOM 618 C ILE A 42 -6.300 -9.871 -5.005 1.00 0.00 C ATOM 619 O ILE A 42 -6.138 -10.956 -4.448 1.00 0.00 O ATOM 620 CB ILE A 42 -4.791 -8.739 -3.347 1.00 0.00 C ATOM 621 CG1 ILE A 42 -5.371 -7.537 -2.584 1.00 0.00 C ATOM 622 CG2 ILE A 42 -3.261 -8.657 -3.337 1.00 0.00 C ATOM 623 CD1 ILE A 42 -5.285 -7.788 -1.073 1.00 0.00 C ATOM 0 H ILE A 42 -6.910 -7.387 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.454 -8.881 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.112 -9.661 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.822 -6.631 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.409 -7.376 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.903 -8.661 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.847 -9.514 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.943 -7.738 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.698 -6.933 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.853 -8.683 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.243 -7.927 -0.786 1.00 0.00 H new ATOM 635 N THR A 43 -7.337 -9.596 -5.806 1.00 0.00 N ATOM 636 CA THR A 43 -8.397 -10.569 -6.107 1.00 0.00 C ATOM 637 C THR A 43 -9.253 -10.847 -4.870 1.00 0.00 C ATOM 638 O THR A 43 -10.456 -11.086 -4.979 1.00 0.00 O ATOM 639 CB THR A 43 -7.820 -11.890 -6.653 1.00 0.00 C ATOM 640 OG1 THR A 43 -7.298 -12.673 -5.590 1.00 0.00 O ATOM 641 CG2 THR A 43 -6.713 -11.600 -7.675 1.00 0.00 C ATOM 0 H THR A 43 -7.466 -8.694 -6.264 1.00 0.00 H new ATOM 0 HA THR A 43 -9.025 -10.127 -6.880 1.00 0.00 H new ATOM 0 HB THR A 43 -8.621 -12.444 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.544 -12.202 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.312 -12.540 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.124 -11.021 -8.502 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.915 -11.033 -7.196 1.00 0.00 H new ATOM 649 N ALA A 44 -8.627 -10.807 -3.698 1.00 0.00 N ATOM 650 CA ALA A 44 -9.336 -11.049 -2.450 1.00 0.00 C ATOM 651 C ALA A 44 -10.133 -9.809 -2.052 1.00 0.00 C ATOM 652 O ALA A 44 -9.565 -8.730 -1.887 1.00 0.00 O ATOM 653 CB ALA A 44 -8.336 -11.393 -1.342 1.00 0.00 C ATOM 0 H ALA A 44 -7.632 -10.610 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.021 -11.885 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.873 -11.573 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.780 -12.288 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.643 -10.563 -1.207 1.00 0.00 H new ATOM 659 N PRO A 45 -11.431 -9.942 -1.898 1.00 0.00 N ATOM 660 CA PRO A 45 -12.306 -8.800 -1.510 1.00 0.00 C ATOM 661 C PRO A 45 -11.874 -8.185 -0.179 1.00 0.00 C ATOM 662 O PRO A 45 -10.889 -8.619 0.416 1.00 0.00 O ATOM 663 CB PRO A 45 -13.721 -9.388 -1.412 1.00 0.00 C ATOM 664 CG PRO A 45 -13.637 -10.845 -1.749 1.00 0.00 C ATOM 665 CD PRO A 45 -12.184 -11.192 -2.078 1.00 0.00 C ATOM 0 HA PRO A 45 -12.250 -7.992 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.123 -9.251 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.396 -8.876 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.988 -11.447 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.281 -11.074 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.809 -11.975 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.091 -11.563 -3.099 1.00 0.00 H new ATOM 673 N PRO A 46 -12.584 -7.190 0.296 1.00 0.00 N ATOM 674 CA PRO A 46 -12.262 -6.509 1.578 1.00 0.00 C ATOM 675 C PRO A 46 -12.647 -7.363 2.784 1.00 0.00 C ATOM 676 O PRO A 46 -13.260 -6.880 3.738 1.00 0.00 O ATOM 677 CB PRO A 46 -13.068 -5.197 1.528 1.00 0.00 C ATOM 678 CG PRO A 46 -13.802 -5.186 0.219 1.00 0.00 C ATOM 679 CD PRO A 46 -13.770 -6.609 -0.333 1.00 0.00 C ATOM 0 HA PRO A 46 -11.193 -6.330 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.767 -5.141 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.407 -4.334 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.830 -4.851 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.332 -4.493 -0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.673 -7.161 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.693 -6.617 -1.420 1.00 0.00 H new ATOM 687 N VAL A 47 -12.275 -8.637 2.728 1.00 0.00 N ATOM 688 CA VAL A 47 -12.571 -9.568 3.808 1.00 0.00 C ATOM 689 C VAL A 47 -11.448 -9.548 4.839 1.00 0.00 C ATOM 690 O VAL A 47 -10.357 -10.056 4.587 1.00 0.00 O ATOM 691 CB VAL A 47 -12.733 -10.986 3.242 1.00 0.00 C ATOM 692 CG1 VAL A 47 -13.441 -11.876 4.269 1.00 0.00 C ATOM 693 CG2 VAL A 47 -13.563 -10.932 1.955 1.00 0.00 C ATOM 0 H VAL A 47 -11.767 -9.048 1.945 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.500 -9.266 4.291 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.749 -11.400 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.554 -12.881 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.849 -11.918 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.424 -11.462 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.678 -11.939 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.546 -10.514 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.057 -10.304 1.222 1.00 0.00 H new ATOM 703 N ASP A 48 -11.725 -8.952 5.997 1.00 0.00 N ATOM 704 CA ASP A 48 -10.737 -8.861 7.072 1.00 0.00 C ATOM 705 C ASP A 48 -10.029 -10.200 7.285 1.00 0.00 C ATOM 706 O ASP A 48 -8.947 -10.255 7.870 1.00 0.00 O ATOM 707 CB ASP A 48 -11.413 -8.417 8.377 1.00 0.00 C ATOM 708 CG ASP A 48 -12.770 -9.105 8.542 1.00 0.00 C ATOM 709 OD1 ASP A 48 -13.647 -8.854 7.730 1.00 0.00 O ATOM 710 OD2 ASP A 48 -12.914 -9.866 9.485 1.00 0.00 O ATOM 0 H ASP A 48 -12.625 -8.525 6.216 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.992 -8.121 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.772 -8.657 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.546 -7.335 8.374 1.00 0.00 H new ATOM 715 N GLY A 49 -10.646 -11.275 6.802 1.00 0.00 N ATOM 716 CA GLY A 49 -10.072 -12.610 6.936 1.00 0.00 C ATOM 717 C GLY A 49 -8.770 -12.739 6.147 1.00 0.00 C ATOM 718 O GLY A 49 -7.684 -12.771 6.728 1.00 0.00 O ATOM 0 H GLY A 49 -11.542 -11.248 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.884 -12.823 7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.788 -13.353 6.583 1.00 0.00 H new ATOM 722 N GLN A 50 -8.889 -12.834 4.823 1.00 0.00 N ATOM 723 CA GLN A 50 -7.716 -12.985 3.961 1.00 0.00 C ATOM 724 C GLN A 50 -7.263 -11.643 3.388 1.00 0.00 C ATOM 725 O GLN A 50 -6.085 -11.461 3.077 1.00 0.00 O ATOM 726 CB GLN A 50 -8.037 -13.952 2.817 1.00 0.00 C ATOM 727 CG GLN A 50 -8.525 -15.285 3.395 1.00 0.00 C ATOM 728 CD GLN A 50 -9.266 -16.081 2.327 1.00 0.00 C ATOM 729 OE1 GLN A 50 -8.869 -17.200 2.000 1.00 0.00 O ATOM 730 NE2 GLN A 50 -10.327 -15.572 1.761 1.00 0.00 N ATOM 0 H GLN A 50 -9.779 -12.809 4.326 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.903 -13.384 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.801 -13.524 2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.151 -14.113 2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.677 -15.861 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.183 -15.102 4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.655 -14.645 2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.828 -16.101 1.047 1.00 0.00 H new ATOM 739 N ALA A 51 -8.197 -10.706 3.248 1.00 0.00 N ATOM 740 CA ALA A 51 -7.865 -9.390 2.709 1.00 0.00 C ATOM 741 C ALA A 51 -6.839 -8.696 3.597 1.00 0.00 C ATOM 742 O ALA A 51 -5.738 -8.373 3.150 1.00 0.00 O ATOM 743 CB ALA A 51 -9.126 -8.527 2.605 1.00 0.00 C ATOM 0 H ALA A 51 -9.178 -10.830 3.497 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.440 -9.522 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.865 -7.548 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.845 -9.012 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.567 -8.406 3.595 1.00 0.00 H new ATOM 749 N ASN A 52 -7.203 -8.478 4.860 1.00 0.00 N ATOM 750 CA ASN A 52 -6.300 -7.827 5.805 1.00 0.00 C ATOM 751 C ASN A 52 -4.979 -8.587 5.890 1.00 0.00 C ATOM 752 O ASN A 52 -3.929 -7.989 6.118 1.00 0.00 O ATOM 753 CB ASN A 52 -6.947 -7.758 7.191 1.00 0.00 C ATOM 754 CG ASN A 52 -6.055 -6.975 8.152 1.00 0.00 C ATOM 755 OD1 ASN A 52 -5.875 -5.769 7.989 1.00 0.00 O ATOM 756 ND2 ASN A 52 -5.483 -7.594 9.149 1.00 0.00 N ATOM 0 H ASN A 52 -8.109 -8.740 5.249 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.102 -6.815 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.925 -7.281 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.111 -8.765 7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.886 -7.078 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.634 -8.594 9.282 1.00 0.00 H new ATOM 763 N SER A 53 -5.036 -9.905 5.697 1.00 0.00 N ATOM 764 CA SER A 53 -3.829 -10.722 5.745 1.00 0.00 C ATOM 765 C SER A 53 -2.830 -10.240 4.695 1.00 0.00 C ATOM 766 O SER A 53 -1.815 -9.628 5.028 1.00 0.00 O ATOM 767 CB SER A 53 -4.175 -12.193 5.495 1.00 0.00 C ATOM 768 OG SER A 53 -3.047 -13.002 5.808 1.00 0.00 O ATOM 0 H SER A 53 -5.895 -10.422 5.508 1.00 0.00 H new ATOM 0 HA SER A 53 -3.382 -10.627 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.028 -12.487 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.464 -12.339 4.454 1.00 0.00 H new ATOM 0 HG SER A 53 -3.266 -13.944 5.651 1.00 0.00 H new ATOM 774 N HIS A 54 -3.139 -10.506 3.427 1.00 0.00 N ATOM 775 CA HIS A 54 -2.279 -10.085 2.326 1.00 0.00 C ATOM 776 C HIS A 54 -1.961 -8.597 2.431 1.00 0.00 C ATOM 777 O HIS A 54 -0.856 -8.168 2.108 1.00 0.00 O ATOM 778 CB HIS A 54 -2.970 -10.373 0.991 1.00 0.00 C ATOM 779 CG HIS A 54 -3.008 -11.859 0.755 1.00 0.00 C ATOM 780 ND1 HIS A 54 -2.093 -12.724 1.337 1.00 0.00 N ATOM 781 CD2 HIS A 54 -3.845 -12.649 0.006 1.00 0.00 C ATOM 782 CE1 HIS A 54 -2.398 -13.970 0.933 1.00 0.00 C ATOM 783 NE2 HIS A 54 -3.458 -13.982 0.120 1.00 0.00 N ATOM 0 H HIS A 54 -3.977 -11.010 3.138 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.345 -10.645 2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.983 -9.969 0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.436 -9.879 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.677 -12.291 -0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.852 -14.853 1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.891 -14.793 -0.322 1.00 0.00 H new ATOM 791 N LEU A 55 -2.943 -7.823 2.884 1.00 0.00 N ATOM 792 CA LEU A 55 -2.777 -6.378 3.035 1.00 0.00 C ATOM 793 C LEU A 55 -1.474 -6.053 3.766 1.00 0.00 C ATOM 794 O LEU A 55 -0.603 -5.366 3.225 1.00 0.00 O ATOM 795 CB LEU A 55 -3.965 -5.813 3.819 1.00 0.00 C ATOM 796 CG LEU A 55 -3.991 -4.287 3.718 1.00 0.00 C ATOM 797 CD1 LEU A 55 -4.297 -3.864 2.276 1.00 0.00 C ATOM 798 CD2 LEU A 55 -5.080 -3.747 4.652 1.00 0.00 C ATOM 0 H LEU A 55 -3.863 -8.171 3.153 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.736 -5.924 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.896 -6.226 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.896 -6.114 4.864 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.020 -3.885 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.314 -2.776 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.527 -4.255 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.268 -4.260 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.108 -2.659 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.047 -4.153 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.860 -4.045 5.677 1.00 0.00 H new ATOM 810 N VAL A 56 -1.350 -6.548 4.996 1.00 0.00 N ATOM 811 CA VAL A 56 -0.153 -6.301 5.795 1.00 0.00 C ATOM 812 C VAL A 56 1.078 -6.928 5.144 1.00 0.00 C ATOM 813 O VAL A 56 2.084 -6.255 4.944 1.00 0.00 O ATOM 814 CB VAL A 56 -0.330 -6.867 7.206 1.00 0.00 C ATOM 815 CG1 VAL A 56 0.862 -6.453 8.075 1.00 0.00 C ATOM 816 CG2 VAL A 56 -1.619 -6.314 7.821 1.00 0.00 C ATOM 0 H VAL A 56 -2.058 -7.118 5.458 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.006 -5.223 5.854 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.386 -7.954 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.737 -6.856 9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.782 -6.843 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.916 -5.365 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.745 -6.717 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.561 -5.227 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.470 -6.604 7.205 1.00 0.00 H new ATOM 826 N LYS A 57 0.991 -8.219 4.821 1.00 0.00 N ATOM 827 CA LYS A 57 2.113 -8.918 4.194 1.00 0.00 C ATOM 828 C LYS A 57 2.592 -8.158 2.960 1.00 0.00 C ATOM 829 O LYS A 57 3.795 -8.012 2.735 1.00 0.00 O ATOM 830 CB LYS A 57 1.690 -10.335 3.791 1.00 0.00 C ATOM 831 CG LYS A 57 1.936 -11.304 4.954 1.00 0.00 C ATOM 832 CD LYS A 57 1.105 -10.880 6.169 1.00 0.00 C ATOM 833 CE LYS A 57 0.856 -12.090 7.072 1.00 0.00 C ATOM 834 NZ LYS A 57 2.161 -12.657 7.520 1.00 0.00 N ATOM 0 H LYS A 57 0.165 -8.796 4.981 1.00 0.00 H new ATOM 0 HA LYS A 57 2.929 -8.975 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.636 -10.344 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.252 -10.656 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.670 -12.318 4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.995 -11.315 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.627 -10.101 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.155 -10.457 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.260 -11.795 7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.285 -12.847 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.998 -13.342 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.624 -13.135 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.772 -11.890 7.866 1.00 0.00 H new ATOM 847 N PHE A 58 1.638 -7.673 2.170 1.00 0.00 N ATOM 848 CA PHE A 58 1.952 -6.921 0.959 1.00 0.00 C ATOM 849 C PHE A 58 2.869 -5.741 1.281 1.00 0.00 C ATOM 850 O PHE A 58 4.065 -5.777 0.987 1.00 0.00 O ATOM 851 CB PHE A 58 0.655 -6.419 0.312 1.00 0.00 C ATOM 852 CG PHE A 58 0.964 -5.721 -0.992 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.530 -6.438 -2.055 1.00 0.00 C ATOM 854 CD2 PHE A 58 0.680 -4.358 -1.141 1.00 0.00 C ATOM 855 CE1 PHE A 58 1.812 -5.791 -3.263 1.00 0.00 C ATOM 856 CE2 PHE A 58 0.964 -3.712 -2.348 1.00 0.00 C ATOM 857 CZ PHE A 58 1.529 -4.427 -3.409 1.00 0.00 C ATOM 0 H PHE A 58 0.640 -7.788 2.347 1.00 0.00 H new ATOM 0 HA PHE A 58 2.471 -7.579 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.020 -7.256 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.143 -5.734 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.748 -7.490 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.241 -3.805 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.248 -6.343 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.747 -2.660 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.747 -3.927 -4.341 1.00 0.00 H new ATOM 867 N LEU A 59 2.305 -4.700 1.892 1.00 0.00 N ATOM 868 CA LEU A 59 3.087 -3.518 2.255 1.00 0.00 C ATOM 869 C LEU A 59 4.183 -3.883 3.252 1.00 0.00 C ATOM 870 O LEU A 59 5.206 -3.201 3.339 1.00 0.00 O ATOM 871 CB LEU A 59 2.177 -2.448 2.864 1.00 0.00 C ATOM 872 CG LEU A 59 1.614 -1.558 1.754 1.00 0.00 C ATOM 873 CD1 LEU A 59 0.329 -0.880 2.238 1.00 0.00 C ATOM 874 CD2 LEU A 59 2.646 -0.487 1.387 1.00 0.00 C ATOM 0 H LEU A 59 1.318 -4.650 2.145 1.00 0.00 H new ATOM 0 HA LEU A 59 3.550 -3.125 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.362 -2.919 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.737 -1.845 3.579 1.00 0.00 H new ATOM 0 HG LEU A 59 1.393 -2.169 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.069 -0.247 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.407 -1.640 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.547 -0.270 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.246 0.148 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.867 0.121 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.561 -0.967 1.039 1.00 0.00 H new ATOM 886 N GLY A 60 3.954 -4.957 4.004 1.00 0.00 N ATOM 887 CA GLY A 60 4.919 -5.411 5.000 1.00 0.00 C ATOM 888 C GLY A 60 6.301 -5.567 4.383 1.00 0.00 C ATOM 889 O GLY A 60 7.238 -4.876 4.768 1.00 0.00 O ATOM 0 H GLY A 60 3.111 -5.527 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.962 -4.697 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.594 -6.363 5.420 1.00 0.00 H new ATOM 893 N LYS A 61 6.414 -6.479 3.422 1.00 0.00 N ATOM 894 CA LYS A 61 7.686 -6.722 2.747 1.00 0.00 C ATOM 895 C LYS A 61 8.096 -5.517 1.903 1.00 0.00 C ATOM 896 O LYS A 61 9.272 -5.147 1.868 1.00 0.00 O ATOM 897 CB LYS A 61 7.573 -7.958 1.850 1.00 0.00 C ATOM 898 CG LYS A 61 7.501 -9.220 2.711 1.00 0.00 C ATOM 899 CD LYS A 61 7.508 -10.452 1.803 1.00 0.00 C ATOM 900 CE LYS A 61 7.187 -11.702 2.626 1.00 0.00 C ATOM 901 NZ LYS A 61 7.584 -12.914 1.857 1.00 0.00 N ATOM 0 H LYS A 61 5.643 -7.061 3.093 1.00 0.00 H new ATOM 0 HA LYS A 61 8.448 -6.889 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.684 -7.883 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.432 -8.012 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.347 -9.255 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.597 -9.208 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.775 -10.332 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.483 -10.559 1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.718 -11.671 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.122 -11.736 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.367 -13.765 2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.058 -12.944 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.604 -12.881 1.659 1.00 0.00 H new ATOM 914 N GLN A 62 7.123 -4.918 1.219 1.00 0.00 N ATOM 915 CA GLN A 62 7.391 -3.762 0.362 1.00 0.00 C ATOM 916 C GLN A 62 8.099 -2.653 1.140 1.00 0.00 C ATOM 917 O GLN A 62 8.751 -1.791 0.550 1.00 0.00 O ATOM 918 CB GLN A 62 6.078 -3.226 -0.215 1.00 0.00 C ATOM 919 CG GLN A 62 6.366 -2.394 -1.471 1.00 0.00 C ATOM 920 CD GLN A 62 6.513 -3.304 -2.688 1.00 0.00 C ATOM 921 OE1 GLN A 62 7.484 -4.054 -2.791 1.00 0.00 O ATOM 922 NE2 GLN A 62 5.600 -3.284 -3.621 1.00 0.00 N ATOM 0 H GLN A 62 6.146 -5.211 1.240 1.00 0.00 H new ATOM 0 HA GLN A 62 8.044 -4.085 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.413 -4.054 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.566 -2.615 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.558 -1.682 -1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.278 -1.814 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.796 -2.662 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.691 -3.890 -4.436 1.00 0.00 H new ATOM 931 N PHE A 63 7.970 -2.686 2.464 1.00 0.00 N ATOM 932 CA PHE A 63 8.603 -1.684 3.314 1.00 0.00 C ATOM 933 C PHE A 63 9.331 -2.352 4.476 1.00 0.00 C ATOM 934 O PHE A 63 9.873 -1.678 5.353 1.00 0.00 O ATOM 935 CB PHE A 63 7.541 -0.717 3.854 1.00 0.00 C ATOM 936 CG PHE A 63 7.446 0.485 2.945 1.00 0.00 C ATOM 937 CD1 PHE A 63 6.698 0.414 1.763 1.00 0.00 C ATOM 938 CD2 PHE A 63 8.116 1.668 3.278 1.00 0.00 C ATOM 939 CE1 PHE A 63 6.619 1.527 0.916 1.00 0.00 C ATOM 940 CE2 PHE A 63 8.039 2.779 2.431 1.00 0.00 C ATOM 941 CZ PHE A 63 7.291 2.710 1.250 1.00 0.00 C ATOM 0 H PHE A 63 7.435 -3.393 2.969 1.00 0.00 H new ATOM 0 HA PHE A 63 9.329 -1.130 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.575 -1.218 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.801 -0.402 4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.182 -0.499 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.693 1.723 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.040 1.473 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.557 3.691 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.232 3.568 0.597 1.00 0.00 H new ATOM 951 N ARG A 64 9.337 -3.686 4.468 1.00 0.00 N ATOM 952 CA ARG A 64 9.994 -4.463 5.516 1.00 0.00 C ATOM 953 C ARG A 64 9.708 -3.866 6.895 1.00 0.00 C ATOM 954 O ARG A 64 10.577 -3.241 7.507 1.00 0.00 O ATOM 955 CB ARG A 64 11.501 -4.512 5.264 1.00 0.00 C ATOM 956 CG ARG A 64 12.114 -5.662 6.066 1.00 0.00 C ATOM 957 CD ARG A 64 13.624 -5.709 5.822 1.00 0.00 C ATOM 958 NE ARG A 64 14.112 -7.082 5.935 1.00 0.00 N ATOM 959 CZ ARG A 64 14.524 -7.574 7.102 1.00 0.00 C ATOM 960 NH1 ARG A 64 14.041 -7.103 8.219 1.00 0.00 N ATOM 961 NH2 ARG A 64 15.409 -8.533 7.127 1.00 0.00 N ATOM 0 H ARG A 64 8.892 -4.251 3.744 1.00 0.00 H new ATOM 0 HA ARG A 64 9.596 -5.478 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.699 -4.650 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.960 -3.567 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.911 -5.527 7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.658 -6.607 5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.852 -5.315 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.136 -5.073 6.544 1.00 0.00 H new ATOM 0 HE ARG A 64 14.138 -7.674 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.346 -6.356 8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.358 -7.481 9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.784 -8.904 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.726 -8.911 8.020 1.00 0.00 H new ATOM 975 N VAL A 65 8.480 -4.061 7.369 1.00 0.00 N ATOM 976 CA VAL A 65 8.073 -3.536 8.669 1.00 0.00 C ATOM 977 C VAL A 65 7.173 -4.535 9.387 1.00 0.00 C ATOM 978 O VAL A 65 6.401 -5.256 8.754 1.00 0.00 O ATOM 979 CB VAL A 65 7.323 -2.210 8.489 1.00 0.00 C ATOM 980 CG1 VAL A 65 8.327 -1.074 8.278 1.00 0.00 C ATOM 981 CG2 VAL A 65 6.397 -2.301 7.269 1.00 0.00 C ATOM 0 H VAL A 65 7.752 -4.577 6.874 1.00 0.00 H new ATOM 0 HA VAL A 65 8.967 -3.368 9.269 1.00 0.00 H new ATOM 0 HB VAL A 65 6.730 -2.011 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.791 -0.134 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.983 -1.003 9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.923 -1.276 7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.866 -1.357 7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.989 -2.505 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.677 -3.106 7.418 1.00 0.00 H new ATOM 991 N ALA A 66 7.276 -4.569 10.714 1.00 0.00 N ATOM 992 CA ALA A 66 6.465 -5.482 11.515 1.00 0.00 C ATOM 993 C ALA A 66 4.985 -5.134 11.385 1.00 0.00 C ATOM 994 O ALA A 66 4.629 -3.970 11.196 1.00 0.00 O ATOM 995 CB ALA A 66 6.883 -5.405 12.985 1.00 0.00 C ATOM 0 H ALA A 66 7.909 -3.979 11.254 1.00 0.00 H new ATOM 0 HA ALA A 66 6.624 -6.496 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.272 -6.090 13.573 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.933 -5.683 13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.742 -4.388 13.350 1.00 0.00 H new ATOM 1001 N LYS A 67 4.130 -6.147 11.494 1.00 0.00 N ATOM 1002 CA LYS A 67 2.688 -5.933 11.393 1.00 0.00 C ATOM 1003 C LYS A 67 2.231 -4.902 12.424 1.00 0.00 C ATOM 1004 O LYS A 67 1.264 -4.175 12.204 1.00 0.00 O ATOM 1005 CB LYS A 67 1.941 -7.254 11.611 1.00 0.00 C ATOM 1006 CG LYS A 67 2.401 -7.904 12.921 1.00 0.00 C ATOM 1007 CD LYS A 67 1.477 -9.077 13.266 1.00 0.00 C ATOM 1008 CE LYS A 67 0.328 -8.584 14.149 1.00 0.00 C ATOM 1009 NZ LYS A 67 -0.877 -9.428 13.915 1.00 0.00 N ATOM 0 H LYS A 67 4.406 -7.116 11.651 1.00 0.00 H new ATOM 0 HA LYS A 67 2.462 -5.558 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.867 -7.073 11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.126 -7.929 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.429 -8.254 12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.389 -7.170 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.082 -9.522 12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.038 -9.855 13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.618 -8.628 15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.104 -7.541 13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.657 -9.093 14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.157 -9.364 12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.659 -10.417 14.151 1.00 0.00 H new ATOM 1022 N SER A 68 2.950 -4.847 13.543 1.00 0.00 N ATOM 1023 CA SER A 68 2.636 -3.904 14.612 1.00 0.00 C ATOM 1024 C SER A 68 2.822 -2.458 14.146 1.00 0.00 C ATOM 1025 O SER A 68 2.561 -1.521 14.900 1.00 0.00 O ATOM 1026 CB SER A 68 3.534 -4.176 15.820 1.00 0.00 C ATOM 1027 OG SER A 68 2.995 -5.254 16.574 1.00 0.00 O ATOM 0 H SER A 68 3.754 -5.445 13.732 1.00 0.00 H new ATOM 0 HA SER A 68 1.591 -4.041 14.891 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.544 -4.418 15.489 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.607 -3.283 16.441 1.00 0.00 H new ATOM 0 HG SER A 68 3.570 -5.431 17.348 1.00 0.00 H new ATOM 1033 N GLN A 69 3.274 -2.287 12.903 1.00 0.00 N ATOM 1034 CA GLN A 69 3.492 -0.949 12.353 1.00 0.00 C ATOM 1035 C GLN A 69 2.360 -0.568 11.402 1.00 0.00 C ATOM 1036 O GLN A 69 2.100 0.615 11.180 1.00 0.00 O ATOM 1037 CB GLN A 69 4.827 -0.899 11.598 1.00 0.00 C ATOM 1038 CG GLN A 69 5.975 -1.305 12.528 1.00 0.00 C ATOM 1039 CD GLN A 69 6.040 -0.364 13.729 1.00 0.00 C ATOM 1040 OE1 GLN A 69 5.365 -0.591 14.735 1.00 0.00 O ATOM 1041 NE2 GLN A 69 6.817 0.682 13.687 1.00 0.00 N ATOM 0 H GLN A 69 3.494 -3.050 12.263 1.00 0.00 H new ATOM 0 HA GLN A 69 3.515 -0.240 13.181 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.792 -1.567 10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.999 0.106 11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.832 -2.331 12.868 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.919 -1.278 11.985 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.375 0.869 12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.867 1.313 14.487 1.00 0.00 H new ATOM 1050 N VAL A 70 1.685 -1.576 10.852 1.00 0.00 N ATOM 1051 CA VAL A 70 0.576 -1.335 9.933 1.00 0.00 C ATOM 1052 C VAL A 70 -0.734 -1.236 10.706 1.00 0.00 C ATOM 1053 O VAL A 70 -1.140 -2.184 11.379 1.00 0.00 O ATOM 1054 CB VAL A 70 0.491 -2.465 8.901 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -0.809 -2.340 8.099 1.00 0.00 C ATOM 1056 CG2 VAL A 70 1.687 -2.373 7.946 1.00 0.00 C ATOM 0 H VAL A 70 1.885 -2.561 11.026 1.00 0.00 H new ATOM 0 HA VAL A 70 0.751 -0.394 9.412 1.00 0.00 H new ATOM 0 HB VAL A 70 0.505 -3.425 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.864 -3.146 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.661 -2.405 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.828 -1.380 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.628 -3.176 7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.671 -1.411 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.613 -2.467 8.513 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.385 -0.079 10.609 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.647 0.147 11.307 1.00 0.00 C ATOM 1068 C VAL A 71 -3.715 0.633 10.330 1.00 0.00 C ATOM 1069 O VAL A 71 -3.469 1.541 9.539 1.00 0.00 O ATOM 1070 CB VAL A 71 -2.455 1.191 12.416 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -3.553 1.032 13.472 1.00 0.00 C ATOM 1072 CG2 VAL A 71 -1.083 1.003 13.076 1.00 0.00 C ATOM 0 H VAL A 71 -1.060 0.714 10.056 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.971 -0.795 11.749 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.513 2.188 11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.413 1.775 14.257 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.528 1.175 13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.500 0.033 13.904 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.952 1.747 13.862 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.021 0.004 13.508 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.300 1.125 12.328 1.00 0.00 H new ATOM 1082 N ILE A 72 -4.899 0.026 10.397 1.00 0.00 N ATOM 1083 CA ILE A 72 -6.004 0.414 9.523 1.00 0.00 C ATOM 1084 C ILE A 72 -6.631 1.716 10.025 1.00 0.00 C ATOM 1085 O ILE A 72 -7.234 1.747 11.099 1.00 0.00 O ATOM 1086 CB ILE A 72 -7.056 -0.708 9.487 1.00 0.00 C ATOM 1087 CG1 ILE A 72 -6.597 -1.807 8.521 1.00 0.00 C ATOM 1088 CG2 ILE A 72 -8.408 -0.152 9.019 1.00 0.00 C ATOM 1089 CD1 ILE A 72 -7.460 -3.058 8.710 1.00 0.00 C ATOM 0 H ILE A 72 -5.117 -0.732 11.044 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.627 0.575 8.513 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.169 -1.120 10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.672 -1.454 7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.549 -2.047 8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.144 -0.956 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.739 0.626 9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.302 0.269 8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.130 -3.835 8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.362 -3.416 9.735 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.503 -2.814 8.509 1.00 0.00 H new ATOM 1101 N GLU A 73 -6.482 2.790 9.248 1.00 0.00 N ATOM 1102 CA GLU A 73 -7.036 4.087 9.635 1.00 0.00 C ATOM 1103 C GLU A 73 -8.475 4.237 9.151 1.00 0.00 C ATOM 1104 O GLU A 73 -8.887 5.309 8.706 1.00 0.00 O ATOM 1105 CB GLU A 73 -6.167 5.228 9.090 1.00 0.00 C ATOM 1106 CG GLU A 73 -5.207 5.693 10.189 1.00 0.00 C ATOM 1107 CD GLU A 73 -4.238 4.569 10.540 1.00 0.00 C ATOM 1108 OE1 GLU A 73 -3.605 4.062 9.635 1.00 0.00 O ATOM 1109 OE2 GLU A 73 -4.151 4.227 11.707 1.00 0.00 O ATOM 0 H GLU A 73 -5.987 2.788 8.356 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.038 4.139 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.606 4.891 8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.795 6.057 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.654 6.570 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.770 5.990 11.074 1.00 0.00 H new ATOM 1116 N LYS A 74 -9.222 3.141 9.273 1.00 0.00 N ATOM 1117 CA LYS A 74 -10.637 3.073 8.895 1.00 0.00 C ATOM 1118 C LYS A 74 -10.811 2.529 7.492 1.00 0.00 C ATOM 1119 O LYS A 74 -9.859 2.440 6.719 1.00 0.00 O ATOM 1120 CB LYS A 74 -11.325 4.440 8.980 1.00 0.00 C ATOM 1121 CG LYS A 74 -11.054 5.095 10.344 1.00 0.00 C ATOM 1122 CD LYS A 74 -12.333 5.080 11.191 1.00 0.00 C ATOM 1123 CE LYS A 74 -13.193 6.304 10.858 1.00 0.00 C ATOM 1124 NZ LYS A 74 -13.640 6.235 9.436 1.00 0.00 N ATOM 0 H LYS A 74 -8.859 2.262 9.642 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.105 2.397 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.962 5.087 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.399 4.323 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.257 4.561 10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.712 6.120 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.896 4.166 11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.078 5.081 12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.058 6.343 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.622 7.217 11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.403 6.924 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.840 6.455 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.989 5.278 9.228 1.00 0.00 H new ATOM 1137 N GLY A 75 -12.047 2.156 7.192 1.00 0.00 N ATOM 1138 CA GLY A 75 -12.393 1.598 5.896 1.00 0.00 C ATOM 1139 C GLY A 75 -13.124 0.275 6.072 1.00 0.00 C ATOM 1140 O GLY A 75 -13.056 -0.597 5.207 1.00 0.00 O ATOM 0 H GLY A 75 -12.833 2.232 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.021 2.299 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.490 1.447 5.304 1.00 0.00 H new ATOM 1144 N GLU A 76 -13.823 0.136 7.201 1.00 0.00 N ATOM 1145 CA GLU A 76 -14.576 -1.087 7.489 1.00 0.00 C ATOM 1146 C GLU A 76 -15.489 -1.434 6.312 1.00 0.00 C ATOM 1147 O GLU A 76 -15.978 -2.557 6.198 1.00 0.00 O ATOM 1148 CB GLU A 76 -15.415 -0.896 8.763 1.00 0.00 C ATOM 1149 CG GLU A 76 -15.434 -2.192 9.588 1.00 0.00 C ATOM 1150 CD GLU A 76 -15.987 -3.350 8.759 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -17.198 -3.455 8.654 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -15.190 -4.118 8.242 1.00 0.00 O ATOM 0 H GLU A 76 -13.883 0.850 7.927 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.873 -1.906 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.002 -0.083 9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.433 -0.611 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.425 -2.429 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.044 -2.052 10.480 1.00 0.00 H new ATOM 1159 N LEU A 77 -15.710 -0.454 5.438 1.00 0.00 N ATOM 1160 CA LEU A 77 -16.559 -0.654 4.268 1.00 0.00 C ATOM 1161 C LEU A 77 -15.730 -1.138 3.078 1.00 0.00 C ATOM 1162 O LEU A 77 -16.194 -1.115 1.936 1.00 0.00 O ATOM 1163 CB LEU A 77 -17.264 0.660 3.907 1.00 0.00 C ATOM 1164 CG LEU A 77 -17.627 1.431 5.185 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -18.375 2.713 4.814 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -18.522 0.564 6.081 1.00 0.00 C ATOM 0 H LEU A 77 -15.314 0.483 5.518 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.304 -1.413 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.615 1.269 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.165 0.452 3.330 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.712 1.682 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.632 3.260 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.740 3.335 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.286 2.459 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.776 1.117 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -19.435 0.308 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.991 -0.349 6.351 1.00 0.00 H new ATOM 1178 N GLY A 78 -14.503 -1.576 3.356 1.00 0.00 N ATOM 1179 CA GLY A 78 -13.609 -2.066 2.311 1.00 0.00 C ATOM 1180 C GLY A 78 -13.195 -0.944 1.365 1.00 0.00 C ATOM 1181 O GLY A 78 -13.611 0.202 1.535 1.00 0.00 O ATOM 0 H GLY A 78 -14.107 -1.601 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.722 -2.507 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.104 -2.856 1.747 1.00 0.00 H new ATOM 1185 N ARG A 79 -12.375 -1.295 0.369 1.00 0.00 N ATOM 1186 CA ARG A 79 -11.891 -0.328 -0.621 1.00 0.00 C ATOM 1187 C ARG A 79 -11.452 0.973 0.049 1.00 0.00 C ATOM 1188 O ARG A 79 -10.275 1.137 0.369 1.00 0.00 O ATOM 1189 CB ARG A 79 -12.986 -0.058 -1.664 1.00 0.00 C ATOM 1190 CG ARG A 79 -13.545 -1.391 -2.168 1.00 0.00 C ATOM 1191 CD ARG A 79 -14.236 -1.186 -3.518 1.00 0.00 C ATOM 1192 NE ARG A 79 -15.061 -2.347 -3.841 1.00 0.00 N ATOM 1193 CZ ARG A 79 -16.321 -2.440 -3.418 1.00 0.00 C ATOM 1194 NH1 ARG A 79 -16.573 -2.645 -2.152 1.00 0.00 N ATOM 1195 NH2 ARG A 79 -17.306 -2.329 -4.269 1.00 0.00 N ATOM 0 H ARG A 79 -12.032 -2.245 0.227 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.021 -0.752 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.784 0.541 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.578 0.516 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.740 -2.119 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.253 -1.796 -1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.854 -0.289 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.490 -1.032 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.665 -3.102 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.805 -2.734 -1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.538 -2.716 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.111 -2.171 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -18.270 -2.400 -3.945 1.00 0.00 H new ATOM 1209 N HIS A 80 -12.399 1.885 0.272 1.00 0.00 N ATOM 1210 CA HIS A 80 -12.090 3.156 0.915 1.00 0.00 C ATOM 1211 C HIS A 80 -11.579 2.923 2.331 1.00 0.00 C ATOM 1212 O HIS A 80 -12.365 2.808 3.271 1.00 0.00 O ATOM 1213 CB HIS A 80 -13.340 4.043 0.964 1.00 0.00 C ATOM 1214 CG HIS A 80 -12.986 5.370 1.584 1.00 0.00 C ATOM 1215 ND1 HIS A 80 -13.704 5.909 2.640 1.00 0.00 N ATOM 1216 CD2 HIS A 80 -11.988 6.273 1.312 1.00 0.00 C ATOM 1217 CE1 HIS A 80 -13.134 7.084 2.961 1.00 0.00 C ATOM 1218 NE2 HIS A 80 -12.083 7.355 2.182 1.00 0.00 N ATOM 0 H HIS A 80 -13.380 1.766 0.018 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.316 3.656 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.734 4.192 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.123 3.555 1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.242 6.161 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.484 7.730 3.753 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.480 8.177 2.217 1.00 0.00 H new ATOM 1226 N LYS A 81 -10.261 2.854 2.476 1.00 0.00 N ATOM 1227 CA LYS A 81 -9.658 2.634 3.786 1.00 0.00 C ATOM 1228 C LYS A 81 -8.340 3.382 3.890 1.00 0.00 C ATOM 1229 O LYS A 81 -7.761 3.765 2.871 1.00 0.00 O ATOM 1230 CB LYS A 81 -9.426 1.134 4.010 1.00 0.00 C ATOM 1231 CG LYS A 81 -8.160 0.678 3.273 1.00 0.00 C ATOM 1232 CD LYS A 81 -8.036 -0.850 3.351 1.00 0.00 C ATOM 1233 CE LYS A 81 -8.047 -1.301 4.815 1.00 0.00 C ATOM 1234 NZ LYS A 81 -9.455 -1.462 5.280 1.00 0.00 N ATOM 0 H LYS A 81 -9.594 2.946 1.710 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.337 3.009 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.329 0.929 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.287 0.568 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.200 0.996 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.281 1.147 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.859 -1.318 2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.114 -1.174 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.509 -2.243 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.530 -0.569 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.673 -0.731 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.101 -1.364 4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.574 -2.403 5.706 1.00 0.00 H new ATOM 1247 N GLN A 82 -7.857 3.590 5.115 1.00 0.00 N ATOM 1248 CA GLN A 82 -6.593 4.296 5.286 1.00 0.00 C ATOM 1249 C GLN A 82 -5.631 3.454 6.110 1.00 0.00 C ATOM 1250 O GLN A 82 -6.052 2.578 6.862 1.00 0.00 O ATOM 1251 CB GLN A 82 -6.839 5.651 5.956 1.00 0.00 C ATOM 1252 CG GLN A 82 -7.298 6.664 4.897 1.00 0.00 C ATOM 1253 CD GLN A 82 -8.262 7.675 5.515 1.00 0.00 C ATOM 1254 OE1 GLN A 82 -7.835 8.600 6.206 1.00 0.00 O ATOM 1255 NE2 GLN A 82 -9.546 7.553 5.305 1.00 0.00 N ATOM 0 H GLN A 82 -8.308 3.289 5.979 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.145 4.470 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.596 5.553 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.927 6.001 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.434 7.182 4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.785 6.143 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.898 6.786 4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.196 8.225 5.714 1.00 0.00 H new ATOM 1264 N ILE A 83 -4.337 3.718 5.953 1.00 0.00 N ATOM 1265 CA ILE A 83 -3.317 2.973 6.686 1.00 0.00 C ATOM 1266 C ILE A 83 -2.220 3.923 7.154 1.00 0.00 C ATOM 1267 O ILE A 83 -2.076 5.023 6.620 1.00 0.00 O ATOM 1268 CB ILE A 83 -2.702 1.879 5.798 1.00 0.00 C ATOM 1269 CG1 ILE A 83 -3.805 1.181 4.985 1.00 0.00 C ATOM 1270 CG2 ILE A 83 -1.986 0.846 6.678 1.00 0.00 C ATOM 1271 CD1 ILE A 83 -3.203 0.025 4.179 1.00 0.00 C ATOM 0 H ILE A 83 -3.971 4.437 5.329 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.787 2.502 7.549 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.987 2.336 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.580 0.806 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.282 1.895 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.550 0.071 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.197 1.337 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.702 0.395 7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.989 -0.466 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.444 0.412 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.747 -0.694 4.859 1.00 0.00 H new ATOM 1283 N LYS A 84 -1.454 3.497 8.155 1.00 0.00 N ATOM 1284 CA LYS A 84 -0.381 4.332 8.683 1.00 0.00 C ATOM 1285 C LYS A 84 0.826 3.486 9.060 1.00 0.00 C ATOM 1286 O LYS A 84 0.746 2.624 9.937 1.00 0.00 O ATOM 1287 CB LYS A 84 -0.863 5.106 9.915 1.00 0.00 C ATOM 1288 CG LYS A 84 0.154 6.196 10.271 1.00 0.00 C ATOM 1289 CD LYS A 84 0.274 6.321 11.795 1.00 0.00 C ATOM 1290 CE LYS A 84 -1.025 6.888 12.375 1.00 0.00 C ATOM 1291 NZ LYS A 84 -1.045 8.369 12.205 1.00 0.00 N ATOM 0 H LYS A 84 -1.555 2.590 8.611 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.091 5.037 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.837 5.554 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.991 4.426 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.125 5.954 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.156 7.149 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.483 5.345 12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.111 6.971 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.884 6.443 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.105 6.632 13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.549 8.803 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.069 8.728 12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.531 8.610 11.318 1.00 0.00 H new ATOM 1304 N ILE A 85 1.945 3.753 8.397 1.00 0.00 N ATOM 1305 CA ILE A 85 3.178 3.031 8.667 1.00 0.00 C ATOM 1306 C ILE A 85 3.951 3.747 9.765 1.00 0.00 C ATOM 1307 O ILE A 85 4.512 4.825 9.543 1.00 0.00 O ATOM 1308 CB ILE A 85 4.034 2.946 7.395 1.00 0.00 C ATOM 1309 CG1 ILE A 85 3.453 1.885 6.451 1.00 0.00 C ATOM 1310 CG2 ILE A 85 5.472 2.559 7.762 1.00 0.00 C ATOM 1311 CD1 ILE A 85 2.055 2.305 5.991 1.00 0.00 C ATOM 0 H ILE A 85 2.022 4.464 7.670 1.00 0.00 H new ATOM 0 HA ILE A 85 2.937 2.019 8.992 1.00 0.00 H new ATOM 0 HB ILE A 85 4.032 3.917 6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.106 1.757 5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.404 0.922 6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.075 2.500 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.892 3.311 8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.472 1.590 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.649 1.547 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.403 2.410 6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.116 3.258 5.466 1.00 0.00 H new ATOM 1323 N ILE A 86 3.969 3.146 10.952 1.00 0.00 N ATOM 1324 CA ILE A 86 4.672 3.728 12.086 1.00 0.00 C ATOM 1325 C ILE A 86 6.145 3.344 12.035 1.00 0.00 C ATOM 1326 O ILE A 86 6.476 2.203 11.721 1.00 0.00 O ATOM 1327 CB ILE A 86 4.047 3.238 13.398 1.00 0.00 C ATOM 1328 CG1 ILE A 86 2.708 3.952 13.611 1.00 0.00 C ATOM 1329 CG2 ILE A 86 4.987 3.546 14.571 1.00 0.00 C ATOM 1330 CD1 ILE A 86 1.959 3.313 14.783 1.00 0.00 C ATOM 0 H ILE A 86 3.506 2.259 11.151 1.00 0.00 H new ATOM 0 HA ILE A 86 4.586 4.814 12.038 1.00 0.00 H new ATOM 0 HB ILE A 86 3.887 2.161 13.346 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.878 5.010 13.810 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.105 3.890 12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.537 3.195 15.500 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.940 3.040 14.416 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.153 4.622 14.632 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.008 3.825 14.929 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.775 2.261 14.567 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.560 3.398 15.688 1.00 0.00 H new ATOM 1342 N ASN A 87 7.017 4.307 12.348 1.00 0.00 N ATOM 1343 CA ASN A 87 8.462 4.072 12.344 1.00 0.00 C ATOM 1344 C ASN A 87 8.869 3.106 11.229 1.00 0.00 C ATOM 1345 O ASN A 87 8.888 1.891 11.428 1.00 0.00 O ATOM 1346 CB ASN A 87 8.899 3.499 13.697 1.00 0.00 C ATOM 1347 CG ASN A 87 8.935 4.604 14.752 1.00 0.00 C ATOM 1348 OD1 ASN A 87 9.261 5.751 14.443 1.00 0.00 O ATOM 1349 ND2 ASN A 87 8.620 4.324 15.987 1.00 0.00 N ATOM 0 H ASN A 87 6.747 5.256 12.607 1.00 0.00 H new ATOM 0 HA ASN A 87 8.955 5.028 12.167 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.210 2.713 14.007 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.884 3.042 13.605 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.644 5.055 16.698 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.350 3.374 16.242 1.00 0.00 H new ATOM 1356 N PRO A 88 9.207 3.620 10.071 1.00 0.00 N ATOM 1357 CA PRO A 88 9.628 2.773 8.924 1.00 0.00 C ATOM 1358 C PRO A 88 10.958 2.076 9.203 1.00 0.00 C ATOM 1359 O PRO A 88 11.319 1.870 10.363 1.00 0.00 O ATOM 1360 CB PRO A 88 9.730 3.735 7.731 1.00 0.00 C ATOM 1361 CG PRO A 88 9.346 5.100 8.221 1.00 0.00 C ATOM 1362 CD PRO A 88 9.232 5.049 9.744 1.00 0.00 C ATOM 0 HA PRO A 88 8.917 1.969 8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.743 3.742 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.070 3.417 6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.093 5.835 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.399 5.409 7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.075 5.549 10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.328 5.550 10.090 1.00 0.00 H new ATOM 1370 N GLN A 89 11.680 1.708 8.148 1.00 0.00 N ATOM 1371 CA GLN A 89 12.959 1.024 8.318 1.00 0.00 C ATOM 1372 C GLN A 89 13.855 1.224 7.099 1.00 0.00 C ATOM 1373 O GLN A 89 14.986 1.696 7.225 1.00 0.00 O ATOM 1374 CB GLN A 89 12.717 -0.474 8.530 1.00 0.00 C ATOM 1375 CG GLN A 89 12.196 -0.718 9.949 1.00 0.00 C ATOM 1376 CD GLN A 89 12.576 -2.119 10.412 1.00 0.00 C ATOM 1377 OE1 GLN A 89 11.708 -2.907 10.793 1.00 0.00 O ATOM 1378 NE2 GLN A 89 13.830 -2.478 10.404 1.00 0.00 N ATOM 0 H GLN A 89 11.406 1.869 7.179 1.00 0.00 H new ATOM 0 HA GLN A 89 13.460 1.448 9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.997 -0.843 7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.643 -1.027 8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.612 0.024 10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.113 -0.600 9.972 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.546 -1.824 10.088 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.095 -3.413 10.714 1.00 0.00 H new ATOM 1387 N GLN A 90 13.350 0.853 5.925 1.00 0.00 N ATOM 1388 CA GLN A 90 14.123 0.989 4.693 1.00 0.00 C ATOM 1389 C GLN A 90 13.330 1.737 3.626 1.00 0.00 C ATOM 1390 O GLN A 90 12.121 1.938 3.758 1.00 0.00 O ATOM 1391 CB GLN A 90 14.507 -0.398 4.164 1.00 0.00 C ATOM 1392 CG GLN A 90 15.225 -1.191 5.261 1.00 0.00 C ATOM 1393 CD GLN A 90 15.392 -2.648 4.833 1.00 0.00 C ATOM 1394 OE1 GLN A 90 15.759 -3.494 5.648 1.00 0.00 O ATOM 1395 NE2 GLN A 90 15.146 -2.995 3.597 1.00 0.00 N ATOM 0 H GLN A 90 12.417 0.459 5.801 1.00 0.00 H new ATOM 0 HA GLN A 90 15.023 1.561 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.615 -0.934 3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 90 15.153 -0.299 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.201 -0.749 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 90 14.656 -1.140 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.842 -2.294 2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.258 -3.967 3.308 1.00 0.00 H new ATOM 1404 N ILE A 91 14.027 2.142 2.567 1.00 0.00 N ATOM 1405 CA ILE A 91 13.398 2.866 1.467 1.00 0.00 C ATOM 1406 C ILE A 91 14.281 2.787 0.217 1.00 0.00 C ATOM 1407 O ILE A 91 15.083 3.680 -0.053 1.00 0.00 O ATOM 1408 CB ILE A 91 13.161 4.332 1.869 1.00 0.00 C ATOM 1409 CG1 ILE A 91 12.431 5.065 0.736 1.00 0.00 C ATOM 1410 CG2 ILE A 91 14.499 5.027 2.156 1.00 0.00 C ATOM 1411 CD1 ILE A 91 11.749 6.318 1.291 1.00 0.00 C ATOM 0 H ILE A 91 15.027 1.981 2.448 1.00 0.00 H new ATOM 0 HA ILE A 91 12.435 2.408 1.242 1.00 0.00 H new ATOM 0 HB ILE A 91 12.550 4.357 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.137 5.340 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.691 4.407 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.317 6.064 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.009 4.512 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.123 4.999 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.231 6.838 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.030 6.031 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.499 6.979 1.725 1.00 0.00 H new ATOM 1423 N PRO A 92 14.151 1.726 -0.540 1.00 0.00 N ATOM 1424 CA PRO A 92 14.952 1.516 -1.778 1.00 0.00 C ATOM 1425 C PRO A 92 14.470 2.393 -2.933 1.00 0.00 C ATOM 1426 O PRO A 92 13.275 2.433 -3.235 1.00 0.00 O ATOM 1427 CB PRO A 92 14.762 0.027 -2.116 1.00 0.00 C ATOM 1428 CG PRO A 92 13.873 -0.553 -1.057 1.00 0.00 C ATOM 1429 CD PRO A 92 13.232 0.610 -0.303 1.00 0.00 C ATOM 0 HA PRO A 92 15.997 1.786 -1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.314 -0.090 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.722 -0.489 -2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.108 -1.187 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.448 -1.180 -0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.232 0.828 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.133 0.392 0.760 1.00 0.00 H new ATOM 1437 N PRO A 93 15.376 3.084 -3.585 1.00 0.00 N ATOM 1438 CA PRO A 93 15.028 3.962 -4.732 1.00 0.00 C ATOM 1439 C PRO A 93 14.357 3.173 -5.854 1.00 0.00 C ATOM 1440 O PRO A 93 13.709 3.748 -6.727 1.00 0.00 O ATOM 1441 CB PRO A 93 16.359 4.559 -5.209 1.00 0.00 C ATOM 1442 CG PRO A 93 17.444 4.012 -4.332 1.00 0.00 C ATOM 1443 CD PRO A 93 16.812 3.092 -3.285 1.00 0.00 C ATOM 0 HA PRO A 93 14.317 4.734 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.543 4.300 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 93 16.333 5.647 -5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.171 3.461 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 93 17.982 4.825 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.230 2.087 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 93 17.000 3.459 -2.276 1.00 0.00 H new ATOM 1451 N GLU A 94 14.519 1.848 -5.813 1.00 0.00 N ATOM 1452 CA GLU A 94 13.927 0.968 -6.820 1.00 0.00 C ATOM 1453 C GLU A 94 12.454 1.308 -7.034 1.00 0.00 C ATOM 1454 O GLU A 94 11.957 1.280 -8.161 1.00 0.00 O ATOM 1455 CB GLU A 94 14.053 -0.489 -6.367 1.00 0.00 C ATOM 1456 CG GLU A 94 13.742 -1.428 -7.538 1.00 0.00 C ATOM 1457 CD GLU A 94 14.936 -1.497 -8.487 1.00 0.00 C ATOM 1458 OE1 GLU A 94 15.922 -2.116 -8.120 1.00 0.00 O ATOM 1459 OE2 GLU A 94 14.848 -0.933 -9.565 1.00 0.00 O ATOM 0 H GLU A 94 15.055 1.363 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 94 14.459 1.110 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.060 -0.678 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.368 -0.683 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.508 -2.424 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.861 -1.074 -8.074 1.00 0.00 H new ATOM 1466 N VAL A 95 11.764 1.627 -5.942 1.00 0.00 N ATOM 1467 CA VAL A 95 10.348 1.970 -6.015 1.00 0.00 C ATOM 1468 C VAL A 95 10.160 3.307 -6.730 1.00 0.00 C ATOM 1469 O VAL A 95 9.637 3.355 -7.842 1.00 0.00 O ATOM 1470 CB VAL A 95 9.755 2.057 -4.603 1.00 0.00 C ATOM 1471 CG1 VAL A 95 8.321 2.593 -4.676 1.00 0.00 C ATOM 1472 CG2 VAL A 95 9.745 0.666 -3.962 1.00 0.00 C ATOM 0 H VAL A 95 12.160 1.655 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 95 9.833 1.191 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 95 10.364 2.731 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.903 2.653 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.326 3.585 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.712 1.922 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.323 0.731 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.140 -0.009 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.765 0.285 -3.903 1.00 0.00 H new ATOM 1482 N ALA A 96 10.589 4.386 -6.078 1.00 0.00 N ATOM 1483 CA ALA A 96 10.463 5.724 -6.649 1.00 0.00 C ATOM 1484 C ALA A 96 11.018 5.764 -8.070 1.00 0.00 C ATOM 1485 O ALA A 96 10.284 6.022 -9.024 1.00 0.00 O ATOM 1486 CB ALA A 96 11.212 6.733 -5.777 1.00 0.00 C ATOM 0 H ALA A 96 11.026 4.360 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 96 9.405 5.983 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.114 7.729 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.790 6.729 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.266 6.460 -5.729 1.00 0.00 H new ATOM 1492 N ALA A 97 12.320 5.509 -8.196 1.00 0.00 N ATOM 1493 CA ALA A 97 12.979 5.517 -9.498 1.00 0.00 C ATOM 1494 C ALA A 97 12.092 4.868 -10.558 1.00 0.00 C ATOM 1495 O ALA A 97 11.760 5.494 -11.567 1.00 0.00 O ATOM 1496 CB ALA A 97 14.310 4.765 -9.412 1.00 0.00 C ATOM 0 H ALA A 97 12.937 5.295 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 97 13.162 6.553 -9.784 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.797 4.775 -10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.955 5.250 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 97 14.127 3.734 -9.108 1.00 0.00 H new ATOM 1502 N LEU A 98 11.709 3.615 -10.315 1.00 0.00 N ATOM 1503 CA LEU A 98 10.857 2.878 -11.244 1.00 0.00 C ATOM 1504 C LEU A 98 11.378 3.009 -12.677 1.00 0.00 C ATOM 1505 O LEU A 98 10.621 2.884 -13.641 1.00 0.00 O ATOM 1506 CB LEU A 98 9.425 3.408 -11.153 1.00 0.00 C ATOM 1507 CG LEU A 98 8.448 2.381 -11.740 1.00 0.00 C ATOM 1508 CD1 LEU A 98 8.000 1.411 -10.642 1.00 0.00 C ATOM 1509 CD2 LEU A 98 7.223 3.102 -12.310 1.00 0.00 C ATOM 0 H LEU A 98 11.976 3.090 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 98 10.871 1.822 -10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.169 3.613 -10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.342 4.351 -11.693 1.00 0.00 H new ATOM 0 HG LEU A 98 8.946 1.826 -12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.306 0.682 -11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.869 0.893 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.505 1.967 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.531 2.370 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.727 3.660 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.538 3.790 -13.094 1.00 0.00 H new ATOM 1521 N ILE A 99 12.677 3.265 -12.804 1.00 0.00 N ATOM 1522 CA ILE A 99 13.295 3.418 -14.117 1.00 0.00 C ATOM 1523 C ILE A 99 13.452 2.061 -14.800 1.00 0.00 C ATOM 1524 O ILE A 99 13.714 1.992 -16.000 1.00 0.00 O ATOM 1525 CB ILE A 99 14.666 4.087 -13.973 1.00 0.00 C ATOM 1526 CG1 ILE A 99 14.489 5.477 -13.345 1.00 0.00 C ATOM 1527 CG2 ILE A 99 15.322 4.222 -15.352 1.00 0.00 C ATOM 1528 CD1 ILE A 99 15.858 6.138 -13.155 1.00 0.00 C ATOM 0 H ILE A 99 13.319 3.370 -12.018 1.00 0.00 H new ATOM 0 HA ILE A 99 12.649 4.045 -14.732 1.00 0.00 H new ATOM 0 HB ILE A 99 15.304 3.477 -13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.861 6.098 -13.984 1.00 0.00 H new ATOM 0 HG13 ILE A 99 13.980 5.390 -12.385 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.297 4.698 -15.246 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.447 3.233 -15.794 1.00 0.00 H new ATOM 0 HG23 ILE A 99 14.689 4.831 -15.998 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.727 7.124 -12.709 1.00 0.00 H new ATOM 0 HD12 ILE A 99 16.472 5.521 -12.498 1.00 0.00 H new ATOM 0 HD13 ILE A 99 16.350 6.240 -14.122 1.00 0.00 H new ATOM 1540 N ASN A 100 13.289 0.989 -14.031 1.00 0.00 N ATOM 1541 CA ASN A 100 13.415 -0.360 -14.577 1.00 0.00 C ATOM 1542 C ASN A 100 12.188 -0.729 -15.418 1.00 0.00 C ATOM 1543 O ASN A 100 11.875 -1.906 -15.578 1.00 0.00 O ATOM 1544 CB ASN A 100 13.587 -1.369 -13.432 1.00 0.00 C ATOM 1545 CG ASN A 100 14.293 -2.626 -13.934 1.00 0.00 C ATOM 1546 OD1 ASN A 100 13.983 -3.129 -15.014 1.00 0.00 O ATOM 1547 ND2 ASN A 100 15.235 -3.170 -13.209 1.00 0.00 N ATOM 0 H ASN A 100 13.071 1.026 -13.035 1.00 0.00 H new ATOM 0 HA ASN A 100 14.292 -0.389 -15.223 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.164 -0.918 -12.624 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.613 -1.631 -13.020 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.712 -4.010 -13.538 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.494 -2.755 -12.314 1.00 0.00 H new ATOM 1554 N LEU A 101 11.501 0.285 -15.958 1.00 0.00 N ATOM 1555 CA LEU A 101 10.309 0.054 -16.782 1.00 0.00 C ATOM 1556 C LEU A 101 9.503 -1.129 -16.247 1.00 0.00 C ATOM 1557 O LEU A 101 9.356 -2.149 -16.922 1.00 0.00 O ATOM 1558 CB LEU A 101 10.713 -0.221 -18.239 1.00 0.00 C ATOM 1559 CG LEU A 101 10.987 1.098 -18.980 1.00 0.00 C ATOM 1560 CD1 LEU A 101 9.704 1.931 -19.061 1.00 0.00 C ATOM 1561 CD2 LEU A 101 12.067 1.890 -18.241 1.00 0.00 C ATOM 0 H LEU A 101 11.748 1.268 -15.840 1.00 0.00 H new ATOM 0 HA LEU A 101 9.691 0.951 -16.741 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.603 -0.850 -18.263 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.920 -0.771 -18.745 1.00 0.00 H new ATOM 0 HG LEU A 101 11.330 0.873 -19.990 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.908 2.863 -19.588 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.940 1.370 -19.599 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.350 2.153 -18.054 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.259 2.824 -18.769 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.729 2.108 -17.228 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.984 1.303 -18.199 1.00 0.00 H new ATOM 1573 N GLU A 102 8.990 -0.987 -15.027 1.00 0.00 N ATOM 1574 CA GLU A 102 8.211 -2.054 -14.407 1.00 0.00 C ATOM 1575 C GLU A 102 9.039 -3.335 -14.334 1.00 0.00 C ATOM 1576 O GLU A 102 8.534 -4.427 -14.597 1.00 0.00 O ATOM 1577 CB GLU A 102 6.923 -2.314 -15.200 1.00 0.00 C ATOM 1578 CG GLU A 102 6.242 -0.987 -15.550 1.00 0.00 C ATOM 1579 CD GLU A 102 4.911 -1.255 -16.246 1.00 0.00 C ATOM 1580 OE1 GLU A 102 3.962 -1.597 -15.560 1.00 0.00 O ATOM 1581 OE2 GLU A 102 4.861 -1.116 -17.457 1.00 0.00 O ATOM 0 H GLU A 102 9.099 -0.151 -14.453 1.00 0.00 H new ATOM 0 HA GLU A 102 7.944 -1.741 -13.398 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.153 -2.865 -16.112 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.246 -2.936 -14.615 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.078 -0.402 -14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.889 -0.396 -16.198 1.00 0.00 H new ATOM 1588 N HIS A 103 10.318 -3.186 -13.982 1.00 0.00 N ATOM 1589 CA HIS A 103 11.235 -4.326 -13.873 1.00 0.00 C ATOM 1590 C HIS A 103 11.677 -4.797 -15.259 1.00 0.00 C ATOM 1591 O HIS A 103 11.184 -4.308 -16.276 1.00 0.00 O ATOM 1592 CB HIS A 103 10.578 -5.481 -13.107 1.00 0.00 C ATOM 1593 CG HIS A 103 9.672 -4.925 -12.043 1.00 0.00 C ATOM 1594 ND1 HIS A 103 10.126 -4.048 -11.070 1.00 0.00 N ATOM 1595 CD2 HIS A 103 8.330 -5.088 -11.805 1.00 0.00 C ATOM 1596 CE1 HIS A 103 9.074 -3.718 -10.301 1.00 0.00 C ATOM 1597 NE2 HIS A 103 7.955 -4.326 -10.705 1.00 0.00 N ATOM 0 H HIS A 103 10.744 -2.285 -13.767 1.00 0.00 H new ATOM 0 HA HIS A 103 12.115 -3.999 -13.319 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.009 -6.109 -13.792 1.00 0.00 H new ATOM 0 HB3 HIS A 103 11.342 -6.113 -12.655 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.667 -5.713 -12.384 1.00 0.00 H new ATOM 0 HE1 HIS A 103 9.127 -3.044 -9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 103 7.025 -4.248 -10.294 1.00 0.00 H new ATOM 1605 N HIS A 104 12.620 -5.740 -15.293 1.00 0.00 N ATOM 1606 CA HIS A 104 13.128 -6.255 -16.563 1.00 0.00 C ATOM 1607 C HIS A 104 13.608 -7.698 -16.413 1.00 0.00 C ATOM 1608 O HIS A 104 13.145 -8.592 -17.121 1.00 0.00 O ATOM 1609 CB HIS A 104 14.289 -5.378 -17.045 1.00 0.00 C ATOM 1610 CG HIS A 104 14.788 -5.874 -18.378 1.00 0.00 C ATOM 1611 ND1 HIS A 104 13.970 -6.551 -19.268 1.00 0.00 N ATOM 1612 CD2 HIS A 104 16.019 -5.800 -18.981 1.00 0.00 C ATOM 1613 CE1 HIS A 104 14.712 -6.856 -20.348 1.00 0.00 C ATOM 1614 NE2 HIS A 104 15.968 -6.421 -20.226 1.00 0.00 N ATOM 0 H HIS A 104 13.043 -6.158 -14.464 1.00 0.00 H new ATOM 0 HA HIS A 104 12.319 -6.233 -17.293 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.962 -4.342 -17.132 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.098 -5.396 -16.314 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.894 -5.331 -18.555 1.00 0.00 H new ATOM 0 HE1 HIS A 104 14.337 -7.388 -21.209 1.00 0.00 H new ATOM 0 HE2 HIS A 104 16.727 -6.522 -20.900 1.00 0.00 H new ATOM 1622 N HIS A 105 14.547 -7.907 -15.494 1.00 0.00 N ATOM 1623 CA HIS A 105 15.103 -9.238 -15.255 1.00 0.00 C ATOM 1624 C HIS A 105 14.028 -10.207 -14.766 1.00 0.00 C ATOM 1625 O HIS A 105 13.043 -9.798 -14.151 1.00 0.00 O ATOM 1626 CB HIS A 105 16.223 -9.141 -14.216 1.00 0.00 C ATOM 1627 CG HIS A 105 17.028 -10.414 -14.209 1.00 0.00 C ATOM 1628 ND1 HIS A 105 17.215 -11.183 -15.348 1.00 0.00 N ATOM 1629 CD2 HIS A 105 17.705 -11.063 -13.205 1.00 0.00 C ATOM 1630 CE1 HIS A 105 17.978 -12.237 -15.005 1.00 0.00 C ATOM 1631 NE2 HIS A 105 18.303 -12.213 -13.710 1.00 0.00 N ATOM 0 H HIS A 105 14.939 -7.174 -14.903 1.00 0.00 H new ATOM 0 HA HIS A 105 15.500 -9.620 -16.196 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.869 -8.293 -14.443 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.799 -8.963 -13.228 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.764 -10.731 -12.179 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.290 -13.009 -15.693 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.868 -12.892 -13.201 1.00 0.00 H new ATOM 1639 N HIS A 106 14.230 -11.497 -15.048 1.00 0.00 N ATOM 1640 CA HIS A 106 13.279 -12.528 -14.634 1.00 0.00 C ATOM 1641 C HIS A 106 13.256 -12.650 -13.108 1.00 0.00 C ATOM 1642 O HIS A 106 12.964 -11.683 -12.404 1.00 0.00 O ATOM 1643 CB HIS A 106 13.669 -13.880 -15.248 1.00 0.00 C ATOM 1644 CG HIS A 106 13.794 -13.756 -16.742 1.00 0.00 C ATOM 1645 ND1 HIS A 106 15.016 -13.850 -17.388 1.00 0.00 N ATOM 1646 CD2 HIS A 106 12.860 -13.564 -17.728 1.00 0.00 C ATOM 1647 CE1 HIS A 106 14.789 -13.718 -18.707 1.00 0.00 C ATOM 1648 NE2 HIS A 106 13.491 -13.540 -18.970 1.00 0.00 N ATOM 0 H HIS A 106 15.040 -11.849 -15.559 1.00 0.00 H new ATOM 0 HA HIS A 106 12.287 -12.243 -14.984 1.00 0.00 H new ATOM 0 HB2 HIS A 106 14.613 -14.221 -14.824 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.918 -14.630 -15.000 1.00 0.00 H new ATOM 0 HD2 HIS A 106 11.798 -13.449 -17.566 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.561 -13.752 -19.461 1.00 0.00 H new ATOM 0 HE2 HIS A 106 13.056 -13.414 -19.884 1.00 0.00 H new ATOM 1656 N HIS A 107 13.572 -13.841 -12.606 1.00 0.00 N ATOM 1657 CA HIS A 107 13.592 -14.074 -11.168 1.00 0.00 C ATOM 1658 C HIS A 107 14.753 -13.315 -10.529 1.00 0.00 C ATOM 1659 O HIS A 107 15.880 -13.357 -11.024 1.00 0.00 O ATOM 1660 CB HIS A 107 13.729 -15.576 -10.879 1.00 0.00 C ATOM 1661 CG HIS A 107 15.127 -16.032 -11.201 1.00 0.00 C ATOM 1662 ND1 HIS A 107 16.048 -16.342 -10.213 1.00 0.00 N ATOM 1663 CD2 HIS A 107 15.779 -16.230 -12.394 1.00 0.00 C ATOM 1664 CE1 HIS A 107 17.192 -16.703 -10.822 1.00 0.00 C ATOM 1665 NE2 HIS A 107 17.083 -16.652 -12.152 1.00 0.00 N ATOM 0 H HIS A 107 13.816 -14.654 -13.171 1.00 0.00 H new ATOM 0 HA HIS A 107 12.656 -13.714 -10.742 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.504 -15.776 -9.831 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.008 -16.137 -11.473 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.345 -16.081 -13.372 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.090 -16.998 -10.299 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.801 -16.874 -12.842 1.00 0.00 H new ATOM 1673 N HIS A 108 14.474 -12.626 -9.429 1.00 0.00 N ATOM 1674 CA HIS A 108 15.509 -11.870 -8.736 1.00 0.00 C ATOM 1675 C HIS A 108 16.395 -12.821 -7.930 1.00 0.00 C ATOM 1676 O HIS A 108 16.027 -13.147 -6.813 1.00 0.00 O ATOM 1677 CB HIS A 108 14.866 -10.829 -7.811 1.00 0.00 C ATOM 1678 CG HIS A 108 15.933 -10.047 -7.081 1.00 0.00 C ATOM 1679 ND1 HIS A 108 17.277 -10.396 -7.123 1.00 0.00 N ATOM 1680 CD2 HIS A 108 15.862 -8.936 -6.280 1.00 0.00 C ATOM 1681 CE1 HIS A 108 17.950 -9.511 -6.365 1.00 0.00 C ATOM 1682 NE2 HIS A 108 17.135 -8.599 -5.828 1.00 0.00 N ATOM 1683 OXT HIS A 108 17.426 -13.214 -8.449 1.00 0.00 O ATOM 0 H HIS A 108 13.549 -12.575 -9.001 1.00 0.00 H new ATOM 0 HA HIS A 108 16.126 -11.352 -9.470 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.243 -10.151 -8.393 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.213 -11.325 -7.093 1.00 0.00 H new ATOM 0 HD2 HIS A 108 14.955 -8.403 -6.036 1.00 0.00 H new ATOM 0 HE1 HIS A 108 19.019 -9.535 -6.210 1.00 0.00 H new ATOM 0 HE2 HIS A 108 17.390 -7.823 -5.218 1.00 0.00 H new TER 1691 HIS A 108