USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= 0.607 K(o=3.2,f=1.5) USER MOD Set 1.2: A 81 ASN : amide:sc= 2.57 K(o=3.2,f=-0.82) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.818 K(o=1.2,f=-4.6!) USER MOD Set 2.2: A 75 TYR OH : rot 110:sc= 0.42 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 0 K(o=0.76,f=-0.033) USER MOD Set 3.2: A 7 HIS : no HE2:sc= 0.758 K(o=0.76,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.019) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 8 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.32) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.181 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 100:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0412) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 43 GLN : amide:sc= 1.59! C(o=1.6!,f=-6.4!) USER MOD Single : A 51 HIS : no HE2:sc= 1.12 K(o=1.1,f=-6.7!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.068 X(o=-0.068,f=-0.56) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.519 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.21) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 90:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.916 -11.302 14.673 1.00 0.00 N ATOM 2 CA MET A 1 -25.987 -12.780 14.771 1.00 0.00 C ATOM 3 C MET A 1 -25.083 -13.414 13.708 1.00 0.00 C ATOM 4 O MET A 1 -25.139 -13.044 12.531 1.00 0.00 O ATOM 5 CB MET A 1 -27.442 -13.283 14.654 1.00 0.00 C ATOM 6 CG MET A 1 -27.570 -14.792 14.905 1.00 0.00 C ATOM 7 SD MET A 1 -29.275 -15.413 14.857 1.00 0.00 S ATOM 8 CE MET A 1 -28.964 -17.172 15.173 1.00 0.00 C ATOM 0 H1 MET A 1 -26.531 -10.876 15.396 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.935 -10.991 14.825 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.232 -11.001 13.729 1.00 0.00 H new ATOM 0 HA MET A 1 -25.628 -13.083 15.755 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.066 -12.746 15.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.823 -13.051 13.660 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.980 -15.324 14.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.138 -15.025 15.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.910 -17.713 15.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.320 -17.574 14.390 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.474 -17.287 16.140 1.00 0.00 H new ATOM 20 N GLY A 2 -24.250 -14.379 14.107 1.00 0.00 N ATOM 21 CA GLY A 2 -23.348 -15.110 13.228 1.00 0.00 C ATOM 22 C GLY A 2 -22.603 -16.180 14.021 1.00 0.00 C ATOM 23 O GLY A 2 -22.768 -16.277 15.242 1.00 0.00 O ATOM 0 H GLY A 2 -24.187 -14.678 15.080 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.911 -15.572 12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.636 -14.423 12.770 1.00 0.00 H new ATOM 27 N HIS A 3 -21.780 -16.972 13.332 1.00 0.00 N ATOM 28 CA HIS A 3 -20.961 -18.035 13.907 1.00 0.00 C ATOM 29 C HIS A 3 -19.631 -18.063 13.154 1.00 0.00 C ATOM 30 O HIS A 3 -19.602 -17.773 11.954 1.00 0.00 O ATOM 31 CB HIS A 3 -21.671 -19.395 13.770 1.00 0.00 C ATOM 32 CG HIS A 3 -23.006 -19.476 14.473 1.00 0.00 C ATOM 33 ND1 HIS A 3 -24.250 -19.448 13.876 1.00 0.00 N ATOM 34 CD2 HIS A 3 -23.211 -19.596 15.821 1.00 0.00 C ATOM 35 CE1 HIS A 3 -25.178 -19.547 14.843 1.00 0.00 C ATOM 36 NE2 HIS A 3 -24.593 -19.643 16.053 1.00 0.00 N ATOM 0 H HIS A 3 -21.663 -16.886 12.322 1.00 0.00 H new ATOM 0 HA HIS A 3 -20.796 -17.847 14.968 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.818 -19.609 12.711 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.018 -20.173 14.165 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.441 -19.646 16.576 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -26.245 -19.549 14.674 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.061 -19.732 16.955 1.00 0.00 H new ATOM 44 N HIS A 4 -18.552 -18.450 13.843 1.00 0.00 N ATOM 45 CA HIS A 4 -17.171 -18.340 13.361 1.00 0.00 C ATOM 46 C HIS A 4 -16.837 -16.891 12.948 1.00 0.00 C ATOM 47 O HIS A 4 -17.568 -15.951 13.280 1.00 0.00 O ATOM 48 CB HIS A 4 -16.896 -19.380 12.253 1.00 0.00 C ATOM 49 CG HIS A 4 -17.374 -20.776 12.583 1.00 0.00 C ATOM 50 ND1 HIS A 4 -18.478 -21.408 12.051 1.00 0.00 N ATOM 51 CD2 HIS A 4 -16.804 -21.643 13.476 1.00 0.00 C ATOM 52 CE1 HIS A 4 -18.570 -22.626 12.611 1.00 0.00 C ATOM 53 NE2 HIS A 4 -17.568 -22.821 13.490 1.00 0.00 N ATOM 0 H HIS A 4 -18.617 -18.859 14.775 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.490 -18.577 14.178 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.378 -19.051 11.333 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.824 -19.411 12.057 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.920 -21.454 14.067 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -19.341 -23.349 12.387 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -17.399 -23.655 14.052 1.00 0.00 H new ATOM 61 N HIS A 5 -15.700 -16.686 12.275 1.00 0.00 N ATOM 62 CA HIS A 5 -15.341 -15.386 11.716 1.00 0.00 C ATOM 63 C HIS A 5 -16.348 -15.000 10.622 1.00 0.00 C ATOM 64 O HIS A 5 -16.930 -15.874 9.970 1.00 0.00 O ATOM 65 CB HIS A 5 -13.903 -15.431 11.180 1.00 0.00 C ATOM 66 CG HIS A 5 -13.357 -14.070 10.819 1.00 0.00 C ATOM 67 ND1 HIS A 5 -13.129 -13.025 11.690 1.00 0.00 N ATOM 68 CD2 HIS A 5 -12.989 -13.643 9.572 1.00 0.00 C ATOM 69 CE1 HIS A 5 -12.635 -11.996 10.981 1.00 0.00 C ATOM 70 NE2 HIS A 5 -12.526 -12.325 9.681 1.00 0.00 N ATOM 0 H HIS A 5 -15.008 -17.416 12.105 1.00 0.00 H new ATOM 0 HA HIS A 5 -15.381 -14.621 12.492 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -13.257 -15.887 11.931 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.871 -16.073 10.300 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -13.304 -13.032 12.695 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.046 -14.222 8.662 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.363 -11.037 11.397 1.00 0.00 H new ATOM 78 N HIS A 6 -16.544 -13.699 10.405 1.00 0.00 N ATOM 79 CA HIS A 6 -17.500 -13.119 9.461 1.00 0.00 C ATOM 80 C HIS A 6 -16.891 -11.844 8.865 1.00 0.00 C ATOM 81 O HIS A 6 -15.869 -11.342 9.345 1.00 0.00 O ATOM 82 CB HIS A 6 -18.834 -12.806 10.182 1.00 0.00 C ATOM 83 CG HIS A 6 -19.880 -13.896 10.118 1.00 0.00 C ATOM 84 ND1 HIS A 6 -19.669 -15.249 9.970 1.00 0.00 N ATOM 85 CD2 HIS A 6 -21.238 -13.714 10.165 1.00 0.00 C ATOM 86 CE1 HIS A 6 -20.861 -15.862 9.918 1.00 0.00 C ATOM 87 NE2 HIS A 6 -21.858 -14.966 10.041 1.00 0.00 N ATOM 0 H HIS A 6 -16.015 -12.986 10.907 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.710 -13.827 8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.620 -12.593 11.229 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -19.255 -11.897 9.752 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -18.760 -15.707 9.910 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.745 -12.767 10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.001 -16.926 9.795 1.00 0.00 H new ATOM 95 N HIS A 7 -17.539 -11.304 7.830 1.00 0.00 N ATOM 96 CA HIS A 7 -17.228 -10.028 7.191 1.00 0.00 C ATOM 97 C HIS A 7 -18.546 -9.264 7.006 1.00 0.00 C ATOM 98 O HIS A 7 -19.630 -9.847 7.113 1.00 0.00 O ATOM 99 CB HIS A 7 -16.554 -10.261 5.823 1.00 0.00 C ATOM 100 CG HIS A 7 -15.136 -10.787 5.835 1.00 0.00 C ATOM 101 ND1 HIS A 7 -14.354 -11.102 6.925 1.00 0.00 N ATOM 102 CD2 HIS A 7 -14.365 -10.998 4.721 1.00 0.00 C ATOM 103 CE1 HIS A 7 -13.148 -11.495 6.478 1.00 0.00 C ATOM 104 NE2 HIS A 7 -13.104 -11.448 5.133 1.00 0.00 N ATOM 0 H HIS A 7 -18.335 -11.771 7.395 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.538 -9.455 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.170 -10.960 5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.560 -9.317 5.278 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -14.640 -11.047 7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.677 -10.843 3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.329 -11.805 7.110 1.00 0.00 H new ATOM 112 N HIS A 8 -18.456 -7.970 6.695 1.00 0.00 N ATOM 113 CA HIS A 8 -19.586 -7.112 6.359 1.00 0.00 C ATOM 114 C HIS A 8 -19.107 -6.065 5.346 1.00 0.00 C ATOM 115 O HIS A 8 -17.904 -5.927 5.111 1.00 0.00 O ATOM 116 CB HIS A 8 -20.142 -6.463 7.640 1.00 0.00 C ATOM 117 CG HIS A 8 -21.446 -5.728 7.435 1.00 0.00 C ATOM 118 ND1 HIS A 8 -22.635 -6.275 7.002 1.00 0.00 N ATOM 119 CD2 HIS A 8 -21.663 -4.387 7.618 1.00 0.00 C ATOM 120 CE1 HIS A 8 -23.545 -5.290 6.928 1.00 0.00 C ATOM 121 NE2 HIS A 8 -23.000 -4.113 7.293 1.00 0.00 N ATOM 0 H HIS A 8 -17.563 -7.477 6.670 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.396 -7.687 5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -20.286 -7.236 8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -19.402 -5.767 8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -20.932 -3.667 7.954 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -24.571 -5.423 6.619 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -23.465 -3.206 7.326 1.00 0.00 H new ATOM 129 N LEU A 9 -20.044 -5.337 4.732 1.00 0.00 N ATOM 130 CA LEU A 9 -19.733 -4.215 3.852 1.00 0.00 C ATOM 131 C LEU A 9 -19.130 -3.069 4.668 1.00 0.00 C ATOM 132 O LEU A 9 -19.405 -2.936 5.860 1.00 0.00 O ATOM 133 CB LEU A 9 -21.001 -3.723 3.128 1.00 0.00 C ATOM 134 CG LEU A 9 -21.629 -4.736 2.149 1.00 0.00 C ATOM 135 CD1 LEU A 9 -22.902 -4.135 1.541 1.00 0.00 C ATOM 136 CD2 LEU A 9 -20.671 -5.134 1.018 1.00 0.00 C ATOM 0 H LEU A 9 -21.043 -5.513 4.834 1.00 0.00 H new ATOM 0 HA LEU A 9 -19.013 -4.550 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -21.747 -3.454 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -20.758 -2.813 2.579 1.00 0.00 H new ATOM 0 HG LEU A 9 -21.859 -5.637 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.347 -4.850 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.613 -3.909 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -22.652 -3.219 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -21.164 -5.848 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -20.392 -4.247 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -19.776 -5.589 1.442 1.00 0.00 H new ATOM 148 N ASP A 10 -18.385 -2.201 3.978 1.00 0.00 N ATOM 149 CA ASP A 10 -17.834 -0.907 4.386 1.00 0.00 C ATOM 150 C ASP A 10 -16.962 -0.837 5.650 1.00 0.00 C ATOM 151 O ASP A 10 -16.200 0.115 5.791 1.00 0.00 O ATOM 152 CB ASP A 10 -18.993 0.086 4.410 1.00 0.00 C ATOM 153 CG ASP A 10 -18.541 1.540 4.628 1.00 0.00 C ATOM 154 OD1 ASP A 10 -18.019 2.160 3.674 1.00 0.00 O ATOM 155 OD2 ASP A 10 -18.785 2.095 5.723 1.00 0.00 O ATOM 0 H ASP A 10 -18.125 -2.412 3.014 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.078 -0.657 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.539 0.019 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.687 -0.195 5.202 1.00 0.00 H new ATOM 160 N SER A 11 -16.974 -1.831 6.538 1.00 0.00 N ATOM 161 CA SER A 11 -16.227 -1.828 7.796 1.00 0.00 C ATOM 162 C SER A 11 -14.706 -1.741 7.597 1.00 0.00 C ATOM 163 O SER A 11 -13.991 -1.222 8.455 1.00 0.00 O ATOM 164 CB SER A 11 -16.616 -3.081 8.593 1.00 0.00 C ATOM 165 OG SER A 11 -16.639 -4.237 7.770 1.00 0.00 O ATOM 0 H SER A 11 -17.518 -2.683 6.399 1.00 0.00 H new ATOM 0 HA SER A 11 -16.494 -0.929 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.908 -3.228 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.597 -2.936 9.045 1.00 0.00 H new ATOM 0 HG SER A 11 -16.889 -5.017 8.308 1.00 0.00 H new ATOM 171 N TYR A 12 -14.215 -2.235 6.460 1.00 0.00 N ATOM 172 CA TYR A 12 -12.819 -2.180 6.044 1.00 0.00 C ATOM 173 C TYR A 12 -12.416 -0.796 5.519 1.00 0.00 C ATOM 174 O TYR A 12 -11.255 -0.407 5.669 1.00 0.00 O ATOM 175 CB TYR A 12 -12.601 -3.242 4.947 1.00 0.00 C ATOM 176 CG TYR A 12 -13.683 -3.247 3.876 1.00 0.00 C ATOM 177 CD1 TYR A 12 -13.667 -2.294 2.840 1.00 0.00 C ATOM 178 CD2 TYR A 12 -14.773 -4.132 3.988 1.00 0.00 C ATOM 179 CE1 TYR A 12 -14.760 -2.169 1.968 1.00 0.00 C ATOM 180 CE2 TYR A 12 -15.850 -4.041 3.091 1.00 0.00 C ATOM 181 CZ TYR A 12 -15.863 -3.045 2.090 1.00 0.00 C ATOM 182 OH TYR A 12 -16.957 -2.922 1.285 1.00 0.00 O ATOM 0 H TYR A 12 -14.808 -2.704 5.776 1.00 0.00 H new ATOM 0 HA TYR A 12 -12.192 -2.379 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.634 -3.069 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -12.557 -4.227 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.806 -1.654 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -14.781 -4.882 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -14.758 -1.405 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.673 -4.737 3.167 1.00 0.00 H new ATOM 0 HH TYR A 12 -17.612 -3.613 1.516 1.00 0.00 H new ATOM 192 N ALA A 13 -13.360 -0.046 4.934 1.00 0.00 N ATOM 193 CA ALA A 13 -13.092 1.183 4.192 1.00 0.00 C ATOM 194 C ALA A 13 -12.258 2.229 4.947 1.00 0.00 C ATOM 195 O ALA A 13 -11.377 2.813 4.311 1.00 0.00 O ATOM 196 CB ALA A 13 -14.389 1.779 3.631 1.00 0.00 C ATOM 0 H ALA A 13 -14.351 -0.286 4.967 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.454 0.884 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.162 2.693 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.859 1.061 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.069 2.007 4.452 1.00 0.00 H new ATOM 202 N PRO A 14 -12.465 2.479 6.257 1.00 0.00 N ATOM 203 CA PRO A 14 -11.635 3.400 7.027 1.00 0.00 C ATOM 204 C PRO A 14 -10.135 3.092 6.958 1.00 0.00 C ATOM 205 O PRO A 14 -9.327 4.024 6.974 1.00 0.00 O ATOM 206 CB PRO A 14 -12.151 3.319 8.468 1.00 0.00 C ATOM 207 CG PRO A 14 -13.615 2.925 8.294 1.00 0.00 C ATOM 208 CD PRO A 14 -13.567 2.001 7.081 1.00 0.00 C ATOM 0 HA PRO A 14 -11.718 4.404 6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.602 2.580 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.050 4.273 8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.006 2.417 9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.251 3.793 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.407 0.966 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.507 2.030 6.531 1.00 0.00 H new ATOM 216 N ARG A 15 -9.736 1.814 6.882 1.00 0.00 N ATOM 217 CA ARG A 15 -8.326 1.435 6.802 1.00 0.00 C ATOM 218 C ARG A 15 -7.915 1.251 5.346 1.00 0.00 C ATOM 219 O ARG A 15 -6.894 1.803 4.943 1.00 0.00 O ATOM 220 CB ARG A 15 -8.054 0.186 7.662 1.00 0.00 C ATOM 221 CG ARG A 15 -6.551 -0.144 7.708 1.00 0.00 C ATOM 222 CD ARG A 15 -6.204 -1.155 8.808 1.00 0.00 C ATOM 223 NE ARG A 15 -4.741 -1.319 8.960 1.00 0.00 N ATOM 224 CZ ARG A 15 -4.014 -2.400 8.639 1.00 0.00 C ATOM 225 NH1 ARG A 15 -4.542 -3.453 8.029 1.00 0.00 N ATOM 226 NH2 ARG A 15 -2.721 -2.460 8.929 1.00 0.00 N ATOM 0 H ARG A 15 -10.379 1.023 6.875 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.709 2.236 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.424 0.351 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.603 -0.664 7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.240 -0.542 6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.986 0.774 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.633 -0.825 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.656 -2.119 8.572 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.231 -0.526 9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.533 -3.459 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.957 -4.257 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.268 -1.678 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.180 -3.288 8.679 1.00 0.00 H new ATOM 240 N ALA A 16 -8.705 0.529 4.551 1.00 0.00 N ATOM 241 CA ALA A 16 -8.385 0.204 3.172 1.00 0.00 C ATOM 242 C ALA A 16 -9.674 0.229 2.363 1.00 0.00 C ATOM 243 O ALA A 16 -10.626 -0.467 2.707 1.00 0.00 O ATOM 244 CB ALA A 16 -7.737 -1.179 3.111 1.00 0.00 C ATOM 0 H ALA A 16 -9.600 0.149 4.859 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.683 0.929 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.497 -1.423 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.823 -1.179 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.428 -1.922 3.508 1.00 0.00 H new ATOM 250 N GLU A 17 -9.718 1.037 1.303 1.00 0.00 N ATOM 251 CA GLU A 17 -10.957 1.312 0.580 1.00 0.00 C ATOM 252 C GLU A 17 -11.491 0.088 -0.174 1.00 0.00 C ATOM 253 O GLU A 17 -12.702 -0.013 -0.378 1.00 0.00 O ATOM 254 CB GLU A 17 -10.782 2.516 -0.362 1.00 0.00 C ATOM 255 CG GLU A 17 -9.736 2.324 -1.475 1.00 0.00 C ATOM 256 CD GLU A 17 -9.737 3.497 -2.464 1.00 0.00 C ATOM 257 OE1 GLU A 17 -9.590 4.661 -2.027 1.00 0.00 O ATOM 258 OE2 GLU A 17 -9.845 3.260 -3.689 1.00 0.00 O ATOM 0 H GLU A 17 -8.901 1.516 0.925 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.710 1.562 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.744 2.741 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.503 3.386 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.746 2.224 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.940 1.397 -2.010 1.00 0.00 H new ATOM 265 N ALA A 18 -10.610 -0.825 -0.596 1.00 0.00 N ATOM 266 CA ALA A 18 -10.949 -1.953 -1.451 1.00 0.00 C ATOM 267 C ALA A 18 -9.852 -3.018 -1.381 1.00 0.00 C ATOM 268 O ALA A 18 -8.759 -2.779 -0.860 1.00 0.00 O ATOM 269 CB ALA A 18 -11.089 -1.464 -2.904 1.00 0.00 C ATOM 0 H ALA A 18 -9.622 -0.794 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.889 -2.387 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.343 -2.306 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.877 -0.713 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.146 -1.027 -3.233 1.00 0.00 H new ATOM 275 N GLU A 19 -10.145 -4.167 -1.984 1.00 0.00 N ATOM 276 CA GLU A 19 -9.221 -5.258 -2.249 1.00 0.00 C ATOM 277 C GLU A 19 -9.526 -5.707 -3.680 1.00 0.00 C ATOM 278 O GLU A 19 -10.702 -5.795 -4.052 1.00 0.00 O ATOM 279 CB GLU A 19 -9.433 -6.388 -1.229 1.00 0.00 C ATOM 280 CG GLU A 19 -8.501 -7.585 -1.464 1.00 0.00 C ATOM 281 CD GLU A 19 -8.717 -8.672 -0.402 1.00 0.00 C ATOM 282 OE1 GLU A 19 -8.226 -8.501 0.737 1.00 0.00 O ATOM 283 OE2 GLU A 19 -9.376 -9.696 -0.696 1.00 0.00 O ATOM 0 H GLU A 19 -11.087 -4.370 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.177 -4.959 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.271 -5.999 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.469 -6.725 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.681 -8.000 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.463 -7.252 -1.442 1.00 0.00 H new ATOM 290 N LYS A 20 -8.495 -5.965 -4.491 1.00 0.00 N ATOM 291 CA LYS A 20 -8.646 -6.306 -5.908 1.00 0.00 C ATOM 292 C LYS A 20 -7.637 -7.385 -6.283 1.00 0.00 C ATOM 293 O LYS A 20 -6.552 -7.445 -5.703 1.00 0.00 O ATOM 294 CB LYS A 20 -8.437 -5.061 -6.791 1.00 0.00 C ATOM 295 CG LYS A 20 -9.525 -3.987 -6.608 1.00 0.00 C ATOM 296 CD LYS A 20 -9.349 -2.786 -7.549 1.00 0.00 C ATOM 297 CE LYS A 20 -9.572 -3.165 -9.022 1.00 0.00 C ATOM 298 NZ LYS A 20 -9.498 -1.988 -9.925 1.00 0.00 N ATOM 0 H LYS A 20 -7.524 -5.943 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.656 -6.679 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.465 -4.624 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.413 -5.367 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.503 -4.436 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.512 -3.637 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.050 -2.000 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.346 -2.376 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.824 -3.899 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.547 -3.641 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.655 -2.293 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.228 -1.298 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.559 -1.548 -9.845 1.00 0.00 H new ATOM 312 N THR A 21 -7.999 -8.222 -7.251 1.00 0.00 N ATOM 313 CA THR A 21 -7.151 -9.267 -7.810 1.00 0.00 C ATOM 314 C THR A 21 -6.222 -8.647 -8.865 1.00 0.00 C ATOM 315 O THR A 21 -6.646 -7.756 -9.611 1.00 0.00 O ATOM 316 CB THR A 21 -8.042 -10.370 -8.420 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.170 -10.621 -7.594 1.00 0.00 O ATOM 318 CG2 THR A 21 -7.278 -11.686 -8.604 1.00 0.00 C ATOM 0 H THR A 21 -8.923 -8.189 -7.682 1.00 0.00 H new ATOM 0 HA THR A 21 -6.534 -9.719 -7.033 1.00 0.00 H new ATOM 0 HB THR A 21 -8.363 -10.005 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.723 -11.322 -7.999 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.942 -12.435 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.431 -11.525 -9.271 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.917 -12.036 -7.637 1.00 0.00 H new ATOM 326 N PHE A 22 -4.976 -9.118 -8.954 1.00 0.00 N ATOM 327 CA PHE A 22 -3.987 -8.703 -9.946 1.00 0.00 C ATOM 328 C PHE A 22 -3.133 -9.907 -10.364 1.00 0.00 C ATOM 329 O PHE A 22 -3.130 -10.947 -9.703 1.00 0.00 O ATOM 330 CB PHE A 22 -3.059 -7.612 -9.377 1.00 0.00 C ATOM 331 CG PHE A 22 -3.727 -6.334 -8.908 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.224 -6.255 -7.596 1.00 0.00 C ATOM 333 CD2 PHE A 22 -3.808 -5.209 -9.751 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.770 -5.058 -7.113 1.00 0.00 C ATOM 335 CE2 PHE A 22 -4.379 -4.013 -9.275 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.853 -3.933 -7.953 1.00 0.00 C ATOM 0 H PHE A 22 -4.617 -9.825 -8.312 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.522 -8.302 -10.807 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.507 -8.037 -8.538 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.327 -7.354 -10.142 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.185 -7.123 -6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.432 -5.263 -10.762 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.127 -4.999 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.453 -3.155 -9.927 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.279 -3.011 -7.585 1.00 0.00 H new ATOM 346 N SER A 23 -2.364 -9.706 -11.431 1.00 0.00 N ATOM 347 CA SER A 23 -1.303 -10.561 -11.948 1.00 0.00 C ATOM 348 C SER A 23 -0.206 -9.612 -12.457 1.00 0.00 C ATOM 349 O SER A 23 -0.415 -8.394 -12.457 1.00 0.00 O ATOM 350 CB SER A 23 -1.827 -11.461 -13.076 1.00 0.00 C ATOM 351 OG SER A 23 -2.903 -12.280 -12.641 1.00 0.00 O ATOM 0 H SER A 23 -2.478 -8.869 -12.003 1.00 0.00 H new ATOM 0 HA SER A 23 -0.918 -11.230 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.156 -10.843 -13.911 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.017 -12.090 -13.445 1.00 0.00 H new ATOM 0 HG SER A 23 -3.211 -12.838 -13.386 1.00 0.00 H new ATOM 357 N TYR A 24 0.943 -10.128 -12.904 1.00 0.00 N ATOM 358 CA TYR A 24 2.065 -9.310 -13.364 1.00 0.00 C ATOM 359 C TYR A 24 2.615 -9.861 -14.691 1.00 0.00 C ATOM 360 O TYR A 24 2.398 -11.046 -14.970 1.00 0.00 O ATOM 361 CB TYR A 24 3.156 -9.297 -12.284 1.00 0.00 C ATOM 362 CG TYR A 24 2.706 -8.772 -10.935 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.372 -7.413 -10.782 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.596 -9.652 -9.840 1.00 0.00 C ATOM 365 CE1 TYR A 24 1.900 -6.933 -9.548 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.125 -9.180 -8.602 1.00 0.00 C ATOM 367 CZ TYR A 24 1.766 -7.820 -8.453 1.00 0.00 C ATOM 368 OH TYR A 24 1.297 -7.369 -7.257 1.00 0.00 O ATOM 0 H TYR A 24 1.120 -11.131 -12.956 1.00 0.00 H new ATOM 0 HA TYR A 24 1.727 -8.289 -13.539 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.534 -10.311 -12.156 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.989 -8.689 -12.636 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.479 -6.736 -11.617 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.874 -10.690 -9.952 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.640 -5.891 -9.436 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.037 -9.856 -7.764 1.00 0.00 H new ATOM 0 HH TYR A 24 0.349 -7.600 -7.169 1.00 0.00 H new ATOM 378 N PRO A 25 3.353 -9.072 -15.502 1.00 0.00 N ATOM 379 CA PRO A 25 3.561 -7.623 -15.394 1.00 0.00 C ATOM 380 C PRO A 25 2.245 -6.830 -15.398 1.00 0.00 C ATOM 381 O PRO A 25 1.230 -7.306 -15.914 1.00 0.00 O ATOM 382 CB PRO A 25 4.420 -7.232 -16.604 1.00 0.00 C ATOM 383 CG PRO A 25 5.128 -8.529 -16.986 1.00 0.00 C ATOM 384 CD PRO A 25 4.083 -9.589 -16.650 1.00 0.00 C ATOM 0 HA PRO A 25 4.042 -7.386 -14.445 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.808 -6.855 -17.423 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.133 -6.447 -16.351 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.399 -8.547 -18.042 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.047 -8.672 -16.418 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.415 -9.761 -17.494 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.555 -10.544 -16.417 1.00 0.00 H new ATOM 392 N LEU A 26 2.261 -5.630 -14.812 1.00 0.00 N ATOM 393 CA LEU A 26 1.096 -4.756 -14.659 1.00 0.00 C ATOM 394 C LEU A 26 1.607 -3.315 -14.578 1.00 0.00 C ATOM 395 O LEU A 26 2.759 -3.081 -14.205 1.00 0.00 O ATOM 396 CB LEU A 26 0.322 -5.146 -13.375 1.00 0.00 C ATOM 397 CG LEU A 26 -1.222 -5.152 -13.425 1.00 0.00 C ATOM 398 CD1 LEU A 26 -1.852 -3.758 -13.520 1.00 0.00 C ATOM 399 CD2 LEU A 26 -1.787 -6.028 -14.551 1.00 0.00 C ATOM 0 H LEU A 26 3.112 -5.228 -14.419 1.00 0.00 H new ATOM 0 HA LEU A 26 0.413 -4.856 -15.502 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.649 -6.143 -13.079 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.627 -4.462 -12.582 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.499 -5.583 -12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.938 -3.851 -13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.562 -3.168 -12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.505 -3.263 -14.427 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.876 -5.989 -14.531 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.428 -5.661 -15.513 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.459 -7.058 -14.410 1.00 0.00 H new ATOM 411 N ASP A 27 0.753 -2.349 -14.919 1.00 0.00 N ATOM 412 CA ASP A 27 1.064 -0.919 -14.848 1.00 0.00 C ATOM 413 C ASP A 27 1.241 -0.430 -13.401 1.00 0.00 C ATOM 414 O ASP A 27 2.029 0.483 -13.148 1.00 0.00 O ATOM 415 CB ASP A 27 -0.062 -0.139 -15.530 1.00 0.00 C ATOM 416 CG ASP A 27 0.149 1.375 -15.415 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.010 1.927 -16.138 1.00 0.00 O ATOM 418 OD2 ASP A 27 -0.595 2.010 -14.638 1.00 0.00 O ATOM 0 H ASP A 27 -0.190 -2.540 -15.258 1.00 0.00 H new ATOM 0 HA ASP A 27 2.013 -0.750 -15.357 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.115 -0.421 -16.582 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.017 -0.409 -15.079 1.00 0.00 H new ATOM 423 N LEU A 28 0.536 -1.058 -12.451 1.00 0.00 N ATOM 424 CA LEU A 28 0.691 -0.821 -11.016 1.00 0.00 C ATOM 425 C LEU A 28 2.137 -1.123 -10.608 1.00 0.00 C ATOM 426 O LEU A 28 2.668 -2.179 -10.960 1.00 0.00 O ATOM 427 CB LEU A 28 -0.298 -1.717 -10.243 1.00 0.00 C ATOM 428 CG LEU A 28 -0.193 -1.624 -8.705 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.540 -0.226 -8.177 1.00 0.00 C ATOM 430 CD2 LEU A 28 -1.136 -2.643 -8.058 1.00 0.00 C ATOM 0 H LEU A 28 -0.172 -1.759 -12.667 1.00 0.00 H new ATOM 0 HA LEU A 28 0.474 0.221 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.313 -1.453 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.137 -2.753 -10.542 1.00 0.00 H new ATOM 0 HG LEU A 28 0.844 -1.836 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.451 -0.215 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.146 0.505 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.562 0.026 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.058 -2.573 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.162 -2.434 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.860 -3.648 -8.378 1.00 0.00 H new ATOM 442 N LEU A 29 2.751 -0.233 -9.826 1.00 0.00 N ATOM 443 CA LEU A 29 4.114 -0.364 -9.325 1.00 0.00 C ATOM 444 C LEU A 29 4.130 0.128 -7.881 1.00 0.00 C ATOM 445 O LEU A 29 3.472 1.119 -7.561 1.00 0.00 O ATOM 446 CB LEU A 29 5.061 0.470 -10.209 1.00 0.00 C ATOM 447 CG LEU A 29 6.552 0.376 -9.825 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.114 -1.039 -10.012 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.362 1.357 -10.679 1.00 0.00 C ATOM 0 H LEU A 29 2.296 0.625 -9.516 1.00 0.00 H new ATOM 0 HA LEU A 29 4.451 -1.400 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.946 0.149 -11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.753 1.515 -10.163 1.00 0.00 H new ATOM 0 HG LEU A 29 6.634 0.628 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.166 -1.053 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.560 -1.737 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.016 -1.334 -11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.416 1.291 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.242 1.107 -11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.005 2.372 -10.504 1.00 0.00 H new ATOM 461 N LEU A 30 4.900 -0.537 -7.021 1.00 0.00 N ATOM 462 CA LEU A 30 4.995 -0.299 -5.580 1.00 0.00 C ATOM 463 C LEU A 30 6.478 -0.111 -5.230 1.00 0.00 C ATOM 464 O LEU A 30 7.341 -0.634 -5.939 1.00 0.00 O ATOM 465 CB LEU A 30 4.421 -1.514 -4.812 1.00 0.00 C ATOM 466 CG LEU A 30 2.931 -1.449 -4.411 1.00 0.00 C ATOM 467 CD1 LEU A 30 1.970 -1.265 -5.590 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.535 -2.748 -3.695 1.00 0.00 C ATOM 0 H LEU A 30 5.507 -1.297 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 30 4.426 0.587 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.568 -2.403 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.010 -1.651 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 30 2.840 -0.573 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.945 -1.229 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.202 -0.334 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.078 -2.101 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.483 -2.702 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.694 -3.595 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.146 -2.871 -2.801 1.00 0.00 H new ATOM 480 N LYS A 31 6.786 0.591 -4.131 1.00 0.00 N ATOM 481 CA LYS A 31 8.151 0.718 -3.606 1.00 0.00 C ATOM 482 C LYS A 31 8.147 0.658 -2.082 1.00 0.00 C ATOM 483 O LYS A 31 7.154 1.024 -1.453 1.00 0.00 O ATOM 484 CB LYS A 31 8.858 1.984 -4.148 1.00 0.00 C ATOM 485 CG LYS A 31 8.637 3.319 -3.404 1.00 0.00 C ATOM 486 CD LYS A 31 7.190 3.837 -3.402 1.00 0.00 C ATOM 487 CE LYS A 31 7.047 5.209 -2.715 1.00 0.00 C ATOM 488 NZ LYS A 31 7.764 6.303 -3.425 1.00 0.00 N ATOM 0 H LYS A 31 6.089 1.090 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 31 8.734 -0.131 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.930 1.786 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.544 2.124 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.964 3.199 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.277 4.078 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.834 3.912 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.551 3.114 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.989 5.463 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.426 5.138 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.545 7.213 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.789 6.132 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.459 6.330 -4.419 1.00 0.00 H new ATOM 502 N LEU A 32 9.252 0.201 -1.493 1.00 0.00 N ATOM 503 CA LEU A 32 9.435 0.144 -0.045 1.00 0.00 C ATOM 504 C LEU A 32 9.771 1.561 0.418 1.00 0.00 C ATOM 505 O LEU A 32 10.666 2.194 -0.148 1.00 0.00 O ATOM 506 CB LEU A 32 10.554 -0.868 0.280 1.00 0.00 C ATOM 507 CG LEU A 32 10.547 -1.471 1.699 1.00 0.00 C ATOM 508 CD1 LEU A 32 11.541 -2.639 1.715 1.00 0.00 C ATOM 509 CD2 LEU A 32 10.934 -0.485 2.808 1.00 0.00 C ATOM 0 H LEU A 32 10.056 -0.145 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 32 8.540 -0.195 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.493 -1.686 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.514 -0.377 0.123 1.00 0.00 H new ATOM 0 HG LEU A 32 9.523 -1.779 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.559 -3.088 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.235 -3.387 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.537 -2.273 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.903 -0.992 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.942 -0.111 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.233 0.349 2.814 1.00 0.00 H new ATOM 521 N HIS A 33 9.057 2.065 1.421 1.00 0.00 N ATOM 522 CA HIS A 33 9.268 3.383 2.002 1.00 0.00 C ATOM 523 C HIS A 33 8.823 3.342 3.463 1.00 0.00 C ATOM 524 O HIS A 33 7.775 2.774 3.770 1.00 0.00 O ATOM 525 CB HIS A 33 8.457 4.422 1.211 1.00 0.00 C ATOM 526 CG HIS A 33 8.640 5.834 1.712 1.00 0.00 C ATOM 527 ND1 HIS A 33 7.900 6.458 2.693 1.00 0.00 N ATOM 528 CD2 HIS A 33 9.587 6.730 1.291 1.00 0.00 C ATOM 529 CE1 HIS A 33 8.391 7.698 2.858 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.424 7.914 2.021 1.00 0.00 N ATOM 0 H HIS A 33 8.295 1.551 1.863 1.00 0.00 H new ATOM 0 HA HIS A 33 10.320 3.663 1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.748 4.376 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.400 4.161 1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.331 6.554 0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.010 8.421 3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.976 8.767 1.936 1.00 0.00 H new ATOM 538 N ASP A 34 9.603 3.970 4.349 1.00 0.00 N ATOM 539 CA ASP A 34 9.360 4.063 5.794 1.00 0.00 C ATOM 540 C ASP A 34 8.936 2.720 6.408 1.00 0.00 C ATOM 541 O ASP A 34 7.910 2.602 7.083 1.00 0.00 O ATOM 542 CB ASP A 34 8.407 5.224 6.109 1.00 0.00 C ATOM 543 CG ASP A 34 8.277 5.449 7.624 1.00 0.00 C ATOM 544 OD1 ASP A 34 9.310 5.589 8.319 1.00 0.00 O ATOM 545 OD2 ASP A 34 7.132 5.545 8.116 1.00 0.00 O ATOM 0 H ASP A 34 10.459 4.449 4.067 1.00 0.00 H new ATOM 0 HA ASP A 34 10.305 4.297 6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.772 6.135 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.425 5.015 5.685 1.00 0.00 H new ATOM 550 N GLU A 35 9.729 1.684 6.103 1.00 0.00 N ATOM 551 CA GLU A 35 9.570 0.293 6.539 1.00 0.00 C ATOM 552 C GLU A 35 8.212 -0.337 6.178 1.00 0.00 C ATOM 553 O GLU A 35 7.847 -1.387 6.709 1.00 0.00 O ATOM 554 CB GLU A 35 9.910 0.144 8.038 1.00 0.00 C ATOM 555 CG GLU A 35 11.284 0.708 8.444 1.00 0.00 C ATOM 556 CD GLU A 35 12.440 0.103 7.631 1.00 0.00 C ATOM 557 OE1 GLU A 35 12.594 -1.139 7.620 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.211 0.865 7.004 1.00 0.00 O ATOM 0 H GLU A 35 10.549 1.804 5.508 1.00 0.00 H new ATOM 0 HA GLU A 35 10.293 -0.286 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.139 0.645 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.874 -0.913 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.281 1.790 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.452 0.516 9.504 1.00 0.00 H new ATOM 565 N ARG A 36 7.473 0.273 5.252 1.00 0.00 N ATOM 566 CA ARG A 36 6.222 -0.197 4.677 1.00 0.00 C ATOM 567 C ARG A 36 6.384 -0.195 3.155 1.00 0.00 C ATOM 568 O ARG A 36 7.497 -0.030 2.650 1.00 0.00 O ATOM 569 CB ARG A 36 5.103 0.733 5.177 1.00 0.00 C ATOM 570 CG ARG A 36 4.899 0.585 6.694 1.00 0.00 C ATOM 571 CD ARG A 36 3.890 1.599 7.225 1.00 0.00 C ATOM 572 NE ARG A 36 4.485 2.931 7.440 1.00 0.00 N ATOM 573 CZ ARG A 36 3.800 4.017 7.819 1.00 0.00 C ATOM 574 NH1 ARG A 36 2.486 3.960 8.034 1.00 0.00 N ATOM 575 NH2 ARG A 36 4.426 5.174 7.993 1.00 0.00 N ATOM 0 H ARG A 36 7.756 1.171 4.859 1.00 0.00 H new ATOM 0 HA ARG A 36 5.961 -1.212 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.352 1.767 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.173 0.501 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.555 -0.424 6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.853 0.718 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.062 1.684 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.474 1.235 8.164 1.00 0.00 H new ATOM 0 HE ARG A 36 5.489 3.032 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.987 3.079 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.980 4.797 8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.432 5.238 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.901 5.999 8.282 1.00 0.00 H new ATOM 589 N VAL A 37 5.303 -0.388 2.404 1.00 0.00 N ATOM 590 CA VAL A 37 5.331 -0.367 0.947 1.00 0.00 C ATOM 591 C VAL A 37 4.176 0.519 0.496 1.00 0.00 C ATOM 592 O VAL A 37 3.069 0.436 1.036 1.00 0.00 O ATOM 593 CB VAL A 37 5.273 -1.805 0.387 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.245 -1.837 -1.146 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.484 -2.636 0.835 1.00 0.00 C ATOM 0 H VAL A 37 4.377 -0.565 2.794 1.00 0.00 H new ATOM 0 HA VAL A 37 6.260 0.049 0.558 1.00 0.00 H new ATOM 0 HB VAL A 37 4.349 -2.227 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.204 -2.871 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.366 -1.301 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.145 -1.361 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.408 -3.642 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.400 -2.165 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.504 -2.692 1.923 1.00 0.00 H new ATOM 605 N LEU A 38 4.448 1.377 -0.488 1.00 0.00 N ATOM 606 CA LEU A 38 3.525 2.381 -0.996 1.00 0.00 C ATOM 607 C LEU A 38 3.426 2.229 -2.509 1.00 0.00 C ATOM 608 O LEU A 38 4.353 1.734 -3.151 1.00 0.00 O ATOM 609 CB LEU A 38 4.009 3.805 -0.656 1.00 0.00 C ATOM 610 CG LEU A 38 4.259 4.130 0.831 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.721 5.587 0.955 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.023 3.929 1.710 1.00 0.00 C ATOM 0 H LEU A 38 5.349 1.389 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 38 2.551 2.233 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.935 3.986 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.272 4.512 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 38 5.022 3.436 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.900 5.824 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.642 5.726 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.950 6.248 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.268 4.175 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.220 4.579 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.700 2.890 1.651 1.00 0.00 H new ATOM 624 N VAL A 39 2.322 2.689 -3.088 1.00 0.00 N ATOM 625 CA VAL A 39 2.127 2.776 -4.527 1.00 0.00 C ATOM 626 C VAL A 39 3.128 3.801 -5.071 1.00 0.00 C ATOM 627 O VAL A 39 3.122 4.960 -4.648 1.00 0.00 O ATOM 628 CB VAL A 39 0.658 3.153 -4.816 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.395 3.337 -6.318 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.314 2.087 -4.279 1.00 0.00 C ATOM 0 H VAL A 39 1.518 3.020 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 39 2.310 1.824 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 39 0.486 4.100 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.651 3.601 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.032 4.133 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.617 2.408 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.339 2.385 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.104 1.130 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.189 1.991 -3.201 1.00 0.00 H new ATOM 640 N ALA A 40 3.974 3.374 -6.009 1.00 0.00 N ATOM 641 CA ALA A 40 4.880 4.238 -6.756 1.00 0.00 C ATOM 642 C ALA A 40 4.167 4.851 -7.964 1.00 0.00 C ATOM 643 O ALA A 40 4.396 6.013 -8.289 1.00 0.00 O ATOM 644 CB ALA A 40 6.083 3.419 -7.242 1.00 0.00 C ATOM 0 H ALA A 40 4.048 2.392 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 40 5.215 5.041 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.761 4.064 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.607 2.998 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.737 2.612 -7.887 1.00 0.00 H new ATOM 650 N PHE A 41 3.308 4.068 -8.623 1.00 0.00 N ATOM 651 CA PHE A 41 2.527 4.477 -9.784 1.00 0.00 C ATOM 652 C PHE A 41 1.321 3.545 -9.868 1.00 0.00 C ATOM 653 O PHE A 41 1.466 2.342 -9.649 1.00 0.00 O ATOM 654 CB PHE A 41 3.384 4.363 -11.056 1.00 0.00 C ATOM 655 CG PHE A 41 2.806 5.078 -12.264 1.00 0.00 C ATOM 656 CD1 PHE A 41 1.840 4.448 -13.074 1.00 0.00 C ATOM 657 CD2 PHE A 41 3.251 6.375 -12.593 1.00 0.00 C ATOM 658 CE1 PHE A 41 1.320 5.114 -14.198 1.00 0.00 C ATOM 659 CE2 PHE A 41 2.745 7.030 -13.729 1.00 0.00 C ATOM 660 CZ PHE A 41 1.776 6.402 -14.531 1.00 0.00 C ATOM 0 H PHE A 41 3.135 3.101 -8.350 1.00 0.00 H new ATOM 0 HA PHE A 41 2.202 5.513 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.375 4.766 -10.850 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.513 3.309 -11.300 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.499 3.453 -12.831 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.983 6.867 -11.970 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.568 4.635 -14.807 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.101 8.017 -13.986 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.383 6.907 -15.401 1.00 0.00 H new ATOM 670 N GLY A 42 0.140 4.076 -10.180 1.00 0.00 N ATOM 671 CA GLY A 42 -1.080 3.283 -10.293 1.00 0.00 C ATOM 672 C GLY A 42 -2.348 4.129 -10.364 1.00 0.00 C ATOM 673 O GLY A 42 -3.395 3.674 -9.913 1.00 0.00 O ATOM 0 H GLY A 42 0.003 5.070 -10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.018 2.659 -11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.148 2.611 -9.438 1.00 0.00 H new ATOM 677 N GLN A 43 -2.263 5.370 -10.858 1.00 0.00 N ATOM 678 CA GLN A 43 -3.386 6.303 -10.942 1.00 0.00 C ATOM 679 C GLN A 43 -4.498 5.650 -11.771 1.00 0.00 C ATOM 680 O GLN A 43 -4.271 5.319 -12.938 1.00 0.00 O ATOM 681 CB GLN A 43 -2.953 7.648 -11.568 1.00 0.00 C ATOM 682 CG GLN A 43 -1.768 8.361 -10.885 1.00 0.00 C ATOM 683 CD GLN A 43 -0.410 7.813 -11.327 1.00 0.00 C ATOM 684 OE1 GLN A 43 0.117 6.880 -10.727 1.00 0.00 O ATOM 685 NE2 GLN A 43 0.167 8.326 -12.397 1.00 0.00 N ATOM 0 H GLN A 43 -1.391 5.759 -11.217 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.751 6.522 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.693 7.473 -12.612 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.810 8.322 -11.561 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.814 9.427 -11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.862 8.257 -9.804 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.274 9.101 -12.892 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.054 7.948 -12.729 1.00 0.00 H new ATOM 694 N ARG A 44 -5.672 5.421 -11.178 1.00 0.00 N ATOM 695 CA ARG A 44 -6.787 4.690 -11.784 1.00 0.00 C ATOM 696 C ARG A 44 -8.039 5.135 -11.048 1.00 0.00 C ATOM 697 O ARG A 44 -8.099 4.974 -9.828 1.00 0.00 O ATOM 698 CB ARG A 44 -6.545 3.166 -11.635 1.00 0.00 C ATOM 699 CG ARG A 44 -7.182 2.285 -12.729 1.00 0.00 C ATOM 700 CD ARG A 44 -6.765 2.617 -14.177 1.00 0.00 C ATOM 701 NE ARG A 44 -5.378 3.105 -14.265 1.00 0.00 N ATOM 702 CZ ARG A 44 -4.252 2.410 -14.448 1.00 0.00 C ATOM 703 NH1 ARG A 44 -4.269 1.120 -14.768 1.00 0.00 N ATOM 704 NH2 ARG A 44 -3.106 3.055 -14.285 1.00 0.00 N ATOM 0 H ARG A 44 -5.879 5.749 -10.235 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.887 4.895 -12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.470 2.985 -11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.929 2.847 -10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.928 1.244 -12.526 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.266 2.370 -12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.874 1.727 -14.797 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.439 3.372 -14.582 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.261 4.114 -14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.159 0.634 -14.880 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.392 0.616 -14.901 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.108 4.043 -14.030 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.221 2.564 -14.415 1.00 0.00 H new ATOM 718 N ASP A 45 -8.996 5.742 -11.751 1.00 0.00 N ATOM 719 CA ASP A 45 -10.187 6.439 -11.226 1.00 0.00 C ATOM 720 C ASP A 45 -9.862 7.693 -10.390 1.00 0.00 C ATOM 721 O ASP A 45 -10.654 8.636 -10.357 1.00 0.00 O ATOM 722 CB ASP A 45 -11.131 5.480 -10.484 1.00 0.00 C ATOM 723 CG ASP A 45 -12.419 6.191 -10.038 1.00 0.00 C ATOM 724 OD1 ASP A 45 -13.282 6.486 -10.897 1.00 0.00 O ATOM 725 OD2 ASP A 45 -12.599 6.422 -8.821 1.00 0.00 O ATOM 0 H ASP A 45 -8.964 5.765 -12.770 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.716 6.810 -12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.383 4.641 -11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.622 5.067 -9.613 1.00 0.00 H new ATOM 730 N GLY A 46 -8.672 7.760 -9.793 1.00 0.00 N ATOM 731 CA GLY A 46 -8.080 8.912 -9.134 1.00 0.00 C ATOM 732 C GLY A 46 -6.588 8.639 -8.941 1.00 0.00 C ATOM 733 O GLY A 46 -6.107 7.547 -9.266 1.00 0.00 O ATOM 0 H GLY A 46 -8.056 6.948 -9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.227 9.810 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.561 9.088 -8.172 1.00 0.00 H new ATOM 737 N ILE A 47 -5.839 9.624 -8.440 1.00 0.00 N ATOM 738 CA ILE A 47 -4.423 9.434 -8.127 1.00 0.00 C ATOM 739 C ILE A 47 -4.289 8.448 -6.957 1.00 0.00 C ATOM 740 O ILE A 47 -5.152 8.407 -6.074 1.00 0.00 O ATOM 741 CB ILE A 47 -3.700 10.786 -7.894 1.00 0.00 C ATOM 742 CG1 ILE A 47 -4.152 11.581 -6.643 1.00 0.00 C ATOM 743 CG2 ILE A 47 -3.856 11.669 -9.147 1.00 0.00 C ATOM 744 CD1 ILE A 47 -3.354 11.243 -5.375 1.00 0.00 C ATOM 0 H ILE A 47 -6.191 10.561 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.914 8.992 -8.984 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.658 10.526 -7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.058 12.647 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.208 11.384 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.349 12.621 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.415 11.163 -10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.914 11.849 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.727 11.838 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.468 10.184 -5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.300 11.467 -5.538 1.00 0.00 H new ATOM 756 N ARG A 48 -3.207 7.656 -6.942 1.00 0.00 N ATOM 757 CA ARG A 48 -2.977 6.627 -5.916 1.00 0.00 C ATOM 758 C ARG A 48 -1.542 6.609 -5.397 1.00 0.00 C ATOM 759 O ARG A 48 -1.284 5.916 -4.416 1.00 0.00 O ATOM 760 CB ARG A 48 -3.391 5.232 -6.434 1.00 0.00 C ATOM 761 CG ARG A 48 -4.886 5.177 -6.778 1.00 0.00 C ATOM 762 CD ARG A 48 -5.381 3.770 -7.116 1.00 0.00 C ATOM 763 NE ARG A 48 -6.788 3.829 -7.543 1.00 0.00 N ATOM 764 CZ ARG A 48 -7.868 3.742 -6.760 1.00 0.00 C ATOM 765 NH1 ARG A 48 -7.757 3.448 -5.470 1.00 0.00 N ATOM 766 NH2 ARG A 48 -9.060 3.967 -7.294 1.00 0.00 N ATOM 0 H ARG A 48 -2.466 7.710 -7.641 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.609 6.891 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.804 4.983 -7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.163 4.480 -5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.459 5.563 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.081 5.836 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.768 3.339 -7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.282 3.120 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.957 3.949 -8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.837 3.284 -5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.592 3.386 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.140 4.201 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.898 3.906 -6.715 1.00 0.00 H new ATOM 780 N VAL A 49 -0.616 7.371 -5.987 1.00 0.00 N ATOM 781 CA VAL A 49 0.773 7.430 -5.530 1.00 0.00 C ATOM 782 C VAL A 49 0.790 7.774 -4.034 1.00 0.00 C ATOM 783 O VAL A 49 0.031 8.637 -3.581 1.00 0.00 O ATOM 784 CB VAL A 49 1.575 8.438 -6.382 1.00 0.00 C ATOM 785 CG1 VAL A 49 3.062 8.452 -5.997 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.471 8.110 -7.882 1.00 0.00 C ATOM 0 H VAL A 49 -0.810 7.964 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 49 1.258 6.462 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 49 1.139 9.417 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.592 9.174 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.164 8.732 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.487 7.460 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.046 8.838 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.866 7.111 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.427 8.149 -8.191 1.00 0.00 H new ATOM 796 N GLY A 50 1.625 7.075 -3.263 1.00 0.00 N ATOM 797 CA GLY A 50 1.819 7.341 -1.843 1.00 0.00 C ATOM 798 C GLY A 50 0.787 6.656 -0.942 1.00 0.00 C ATOM 799 O GLY A 50 0.949 6.697 0.278 1.00 0.00 O ATOM 0 H GLY A 50 2.190 6.301 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.817 7.011 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.778 8.417 -1.675 1.00 0.00 H new ATOM 803 N HIS A 51 -0.258 6.028 -1.497 1.00 0.00 N ATOM 804 CA HIS A 51 -1.149 5.175 -0.713 1.00 0.00 C ATOM 805 C HIS A 51 -0.396 3.893 -0.372 1.00 0.00 C ATOM 806 O HIS A 51 0.572 3.546 -1.051 1.00 0.00 O ATOM 807 CB HIS A 51 -2.446 4.894 -1.477 1.00 0.00 C ATOM 808 CG HIS A 51 -3.305 6.128 -1.581 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.081 7.214 -2.393 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.396 6.420 -0.812 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.032 8.129 -2.146 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.870 7.686 -1.188 1.00 0.00 N ATOM 0 H HIS A 51 -0.504 6.097 -2.485 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.440 5.676 0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.209 4.529 -2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.002 4.104 -0.973 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.322 7.309 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.820 5.786 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.114 9.084 -2.644 1.00 0.00 H new ATOM 820 N ALA A 52 -0.831 3.180 0.663 1.00 0.00 N ATOM 821 CA ALA A 52 -0.092 2.065 1.227 1.00 0.00 C ATOM 822 C ALA A 52 -0.829 0.764 0.987 1.00 0.00 C ATOM 823 O ALA A 52 -2.057 0.719 1.093 1.00 0.00 O ATOM 824 CB ALA A 52 0.048 2.276 2.735 1.00 0.00 C ATOM 0 H ALA A 52 -1.716 3.365 1.135 1.00 0.00 H new ATOM 0 HA ALA A 52 0.887 2.014 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.602 1.444 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.584 3.206 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.942 2.329 3.188 1.00 0.00 H new ATOM 830 N VAL A 53 -0.075 -0.293 0.683 1.00 0.00 N ATOM 831 CA VAL A 53 -0.630 -1.634 0.670 1.00 0.00 C ATOM 832 C VAL A 53 -0.679 -2.040 2.146 1.00 0.00 C ATOM 833 O VAL A 53 0.274 -1.805 2.894 1.00 0.00 O ATOM 834 CB VAL A 53 0.178 -2.581 -0.243 1.00 0.00 C ATOM 835 CG1 VAL A 53 1.693 -2.587 0.003 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.359 -4.012 -0.151 1.00 0.00 C ATOM 0 H VAL A 53 0.915 -0.241 0.445 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.628 -1.686 0.235 1.00 0.00 H new ATOM 0 HB VAL A 53 0.038 -2.179 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.171 -3.283 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.092 -1.585 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.894 -2.897 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.225 -4.662 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.281 -4.364 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.403 -4.029 -0.463 1.00 0.00 H new ATOM 846 N LEU A 54 -1.804 -2.610 2.573 1.00 0.00 N ATOM 847 CA LEU A 54 -2.077 -2.922 3.971 1.00 0.00 C ATOM 848 C LEU A 54 -2.374 -4.411 4.123 1.00 0.00 C ATOM 849 O LEU A 54 -2.093 -4.958 5.187 1.00 0.00 O ATOM 850 CB LEU A 54 -3.185 -2.007 4.528 1.00 0.00 C ATOM 851 CG LEU A 54 -2.788 -0.511 4.566 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.974 0.349 4.998 1.00 0.00 C ATOM 853 CD2 LEU A 54 -1.623 -0.215 5.520 1.00 0.00 C ATOM 0 H LEU A 54 -2.564 -2.872 1.945 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.194 -2.718 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.081 -2.122 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.442 -2.333 5.536 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.472 -0.268 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.675 1.397 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.794 0.219 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.301 0.045 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.396 0.851 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.899 -0.506 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.744 -0.779 5.207 1.00 0.00 H new ATOM 865 N ALA A 55 -2.857 -5.102 3.081 1.00 0.00 N ATOM 866 CA ALA A 55 -2.929 -6.561 3.106 1.00 0.00 C ATOM 867 C ALA A 55 -2.644 -7.107 1.712 1.00 0.00 C ATOM 868 O ALA A 55 -2.886 -6.437 0.706 1.00 0.00 O ATOM 869 CB ALA A 55 -4.257 -7.094 3.667 1.00 0.00 C ATOM 0 H ALA A 55 -3.199 -4.675 2.220 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.165 -6.918 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.245 -8.184 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.387 -6.741 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.082 -6.735 3.052 1.00 0.00 H new ATOM 875 N ILE A 56 -2.148 -8.340 1.667 1.00 0.00 N ATOM 876 CA ILE A 56 -1.863 -9.087 0.448 1.00 0.00 C ATOM 877 C ILE A 56 -2.378 -10.499 0.703 1.00 0.00 C ATOM 878 O ILE A 56 -2.164 -11.048 1.782 1.00 0.00 O ATOM 879 CB ILE A 56 -0.347 -9.075 0.126 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.137 -7.645 -0.202 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.039 -10.033 -1.042 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.654 -7.516 -0.368 1.00 0.00 C ATOM 0 H ILE A 56 -1.925 -8.866 2.512 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.349 -8.643 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 56 0.192 -9.419 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.347 -7.312 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.188 -6.973 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.030 -10.014 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.336 -11.046 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.592 -9.718 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.908 -6.481 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.148 -7.815 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.987 -8.160 -1.182 1.00 0.00 H new ATOM 894 N ASN A 57 -3.045 -11.085 -0.295 1.00 0.00 N ATOM 895 CA ASN A 57 -3.634 -12.427 -0.269 1.00 0.00 C ATOM 896 C ASN A 57 -4.441 -12.689 1.015 1.00 0.00 C ATOM 897 O ASN A 57 -4.478 -13.811 1.525 1.00 0.00 O ATOM 898 CB ASN A 57 -2.556 -13.492 -0.572 1.00 0.00 C ATOM 899 CG ASN A 57 -1.976 -13.370 -1.980 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.589 -12.799 -2.878 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.781 -13.882 -2.218 1.00 0.00 N ATOM 0 H ASN A 57 -3.196 -10.614 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.373 -12.499 -1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.750 -13.402 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.989 -14.485 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.368 -13.803 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.272 -14.356 -1.472 1.00 0.00 H new ATOM 908 N GLY A 58 -5.083 -11.642 1.549 1.00 0.00 N ATOM 909 CA GLY A 58 -5.952 -11.719 2.719 1.00 0.00 C ATOM 910 C GLY A 58 -5.199 -11.646 4.053 1.00 0.00 C ATOM 911 O GLY A 58 -5.808 -11.902 5.094 1.00 0.00 O ATOM 0 H GLY A 58 -5.008 -10.699 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.677 -10.906 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.516 -12.651 2.681 1.00 0.00 H new ATOM 915 N MET A 59 -3.908 -11.297 4.047 1.00 0.00 N ATOM 916 CA MET A 59 -3.052 -11.246 5.227 1.00 0.00 C ATOM 917 C MET A 59 -2.534 -9.818 5.382 1.00 0.00 C ATOM 918 O MET A 59 -1.905 -9.284 4.466 1.00 0.00 O ATOM 919 CB MET A 59 -1.875 -12.226 5.074 1.00 0.00 C ATOM 920 CG MET A 59 -2.294 -13.690 4.902 1.00 0.00 C ATOM 921 SD MET A 59 -3.196 -14.402 6.307 1.00 0.00 S ATOM 922 CE MET A 59 -3.509 -16.063 5.647 1.00 0.00 C ATOM 0 H MET A 59 -3.419 -11.035 3.191 1.00 0.00 H new ATOM 0 HA MET A 59 -3.619 -11.535 6.112 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.278 -11.927 4.212 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.233 -12.144 5.951 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.917 -13.771 4.011 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.401 -14.289 4.722 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.060 -16.649 6.383 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.095 -15.986 4.731 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.560 -16.553 5.430 1.00 0.00 H new ATOM 932 N ASP A 60 -2.815 -9.195 6.529 1.00 0.00 N ATOM 933 CA ASP A 60 -2.280 -7.885 6.911 1.00 0.00 C ATOM 934 C ASP A 60 -0.753 -7.929 6.860 1.00 0.00 C ATOM 935 O ASP A 60 -0.145 -8.813 7.471 1.00 0.00 O ATOM 936 CB ASP A 60 -2.766 -7.520 8.318 1.00 0.00 C ATOM 937 CG ASP A 60 -2.077 -6.255 8.853 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.359 -5.155 8.328 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.315 -6.354 9.840 1.00 0.00 O ATOM 0 H ASP A 60 -3.434 -9.596 7.234 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.633 -7.123 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.845 -7.366 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.574 -8.352 8.995 1.00 0.00 H new ATOM 944 N VAL A 61 -0.128 -7.029 6.097 1.00 0.00 N ATOM 945 CA VAL A 61 1.323 -7.049 5.925 1.00 0.00 C ATOM 946 C VAL A 61 1.994 -6.557 7.212 1.00 0.00 C ATOM 947 O VAL A 61 1.531 -5.603 7.841 1.00 0.00 O ATOM 948 CB VAL A 61 1.771 -6.265 4.668 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.151 -6.873 3.398 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.468 -4.760 4.708 1.00 0.00 C ATOM 0 H VAL A 61 -0.603 -6.281 5.591 1.00 0.00 H new ATOM 0 HA VAL A 61 1.647 -8.075 5.748 1.00 0.00 H new ATOM 0 HB VAL A 61 2.857 -6.360 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.479 -6.307 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.470 -7.910 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.064 -6.833 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.817 -4.294 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.393 -4.608 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.978 -4.309 5.559 1.00 0.00 H new ATOM 960 N ASN A 62 3.108 -7.188 7.588 1.00 0.00 N ATOM 961 CA ASN A 62 4.007 -6.746 8.648 1.00 0.00 C ATOM 962 C ASN A 62 4.901 -5.638 8.075 1.00 0.00 C ATOM 963 O ASN A 62 6.115 -5.795 7.917 1.00 0.00 O ATOM 964 CB ASN A 62 4.814 -7.935 9.196 1.00 0.00 C ATOM 965 CG ASN A 62 5.790 -7.514 10.296 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.561 -6.555 11.030 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.891 -8.232 10.452 1.00 0.00 N ATOM 0 H ASN A 62 3.417 -8.053 7.144 1.00 0.00 H new ATOM 0 HA ASN A 62 3.449 -6.343 9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.129 -8.686 9.589 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.367 -8.403 8.381 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.557 -7.991 11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.073 -9.026 9.838 1.00 0.00 H new ATOM 974 N GLY A 63 4.270 -4.542 7.651 1.00 0.00 N ATOM 975 CA GLY A 63 4.895 -3.441 6.941 1.00 0.00 C ATOM 976 C GLY A 63 5.558 -3.930 5.656 1.00 0.00 C ATOM 977 O GLY A 63 4.877 -4.334 4.715 1.00 0.00 O ATOM 0 H GLY A 63 3.272 -4.398 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.147 -2.684 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.638 -2.965 7.581 1.00 0.00 H new ATOM 981 N ARG A 64 6.890 -3.881 5.612 1.00 0.00 N ATOM 982 CA ARG A 64 7.695 -4.285 4.460 1.00 0.00 C ATOM 983 C ARG A 64 7.713 -5.797 4.280 1.00 0.00 C ATOM 984 O ARG A 64 8.143 -6.261 3.226 1.00 0.00 O ATOM 985 CB ARG A 64 9.123 -3.717 4.567 1.00 0.00 C ATOM 986 CG ARG A 64 9.889 -4.202 5.810 1.00 0.00 C ATOM 987 CD ARG A 64 11.256 -3.531 5.983 1.00 0.00 C ATOM 988 NE ARG A 64 12.267 -4.018 5.032 1.00 0.00 N ATOM 989 CZ ARG A 64 13.537 -3.597 4.975 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.990 -2.649 5.790 1.00 0.00 N ATOM 991 NH2 ARG A 64 14.347 -4.136 4.075 1.00 0.00 N ATOM 0 H ARG A 64 7.452 -3.551 6.396 1.00 0.00 H new ATOM 0 HA ARG A 64 7.227 -3.866 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.683 -3.995 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.071 -2.628 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.285 -4.012 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.028 -5.281 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.142 -2.454 5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.611 -3.702 6.999 1.00 0.00 H new ATOM 0 HE ARG A 64 11.978 -4.732 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.366 -2.226 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.962 -2.345 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.999 -4.857 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.318 -3.830 4.015 1.00 0.00 H new ATOM 1005 N TYR A 65 7.267 -6.561 5.273 1.00 0.00 N ATOM 1006 CA TYR A 65 7.261 -8.016 5.224 1.00 0.00 C ATOM 1007 C TYR A 65 5.821 -8.515 5.170 1.00 0.00 C ATOM 1008 O TYR A 65 4.903 -7.825 5.611 1.00 0.00 O ATOM 1009 CB TYR A 65 8.019 -8.589 6.430 1.00 0.00 C ATOM 1010 CG TYR A 65 9.430 -8.051 6.606 1.00 0.00 C ATOM 1011 CD1 TYR A 65 10.398 -8.270 5.606 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.771 -7.306 7.752 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.686 -7.720 5.727 1.00 0.00 C ATOM 1014 CE2 TYR A 65 11.071 -6.787 7.901 1.00 0.00 C ATOM 1015 CZ TYR A 65 12.035 -6.989 6.886 1.00 0.00 C ATOM 1016 OH TYR A 65 13.294 -6.483 7.008 1.00 0.00 O ATOM 0 H TYR A 65 6.896 -6.181 6.144 1.00 0.00 H new ATOM 0 HA TYR A 65 7.773 -8.359 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.449 -8.378 7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.068 -9.673 6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.149 -8.865 4.740 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.032 -7.132 8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.408 -7.856 4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.332 -6.234 8.791 1.00 0.00 H new ATOM 0 HH TYR A 65 13.374 -6.006 7.860 1.00 0.00 H new ATOM 1026 N THR A 66 5.594 -9.710 4.636 1.00 0.00 N ATOM 1027 CA THR A 66 4.306 -10.377 4.723 1.00 0.00 C ATOM 1028 C THR A 66 4.079 -10.863 6.158 1.00 0.00 C ATOM 1029 O THR A 66 4.962 -10.780 7.018 1.00 0.00 O ATOM 1030 CB THR A 66 4.236 -11.550 3.727 1.00 0.00 C ATOM 1031 OG1 THR A 66 5.284 -12.478 3.943 1.00 0.00 O ATOM 1032 CG2 THR A 66 4.313 -11.064 2.281 1.00 0.00 C ATOM 0 H THR A 66 6.302 -10.242 4.130 1.00 0.00 H new ATOM 0 HA THR A 66 3.517 -9.672 4.461 1.00 0.00 H new ATOM 0 HB THR A 66 3.276 -12.038 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.210 -13.211 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.261 -11.919 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.480 -10.391 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.253 -10.535 2.124 1.00 0.00 H new ATOM 1040 N ALA A 67 2.888 -11.413 6.404 1.00 0.00 N ATOM 1041 CA ALA A 67 2.589 -12.120 7.639 1.00 0.00 C ATOM 1042 C ALA A 67 3.544 -13.307 7.824 1.00 0.00 C ATOM 1043 O ALA A 67 3.980 -13.588 8.942 1.00 0.00 O ATOM 1044 CB ALA A 67 1.147 -12.617 7.565 1.00 0.00 C ATOM 0 H ALA A 67 2.107 -11.378 5.749 1.00 0.00 H new ATOM 0 HA ALA A 67 2.716 -11.450 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.899 -13.152 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.475 -11.767 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.037 -13.288 6.713 1.00 0.00 H new ATOM 1050 N ASP A 68 3.865 -14.000 6.726 1.00 0.00 N ATOM 1051 CA ASP A 68 4.777 -15.145 6.733 1.00 0.00 C ATOM 1052 C ASP A 68 6.230 -14.703 6.936 1.00 0.00 C ATOM 1053 O ASP A 68 6.980 -15.381 7.641 1.00 0.00 O ATOM 1054 CB ASP A 68 4.649 -15.947 5.435 1.00 0.00 C ATOM 1055 CG ASP A 68 5.508 -17.218 5.502 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.123 -18.175 6.213 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.556 -17.279 4.823 1.00 0.00 O ATOM 0 H ASP A 68 3.495 -13.779 5.801 1.00 0.00 H new ATOM 0 HA ASP A 68 4.496 -15.782 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.606 -16.214 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.961 -15.334 4.589 1.00 0.00 H new ATOM 1062 N GLY A 69 6.617 -13.552 6.367 1.00 0.00 N ATOM 1063 CA GLY A 69 7.891 -12.887 6.638 1.00 0.00 C ATOM 1064 C GLY A 69 8.718 -12.543 5.395 1.00 0.00 C ATOM 1065 O GLY A 69 9.803 -11.977 5.547 1.00 0.00 O ATOM 0 H GLY A 69 6.039 -13.051 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.694 -11.968 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.488 -13.528 7.287 1.00 0.00 H new ATOM 1069 N LYS A 70 8.266 -12.876 4.178 1.00 0.00 N ATOM 1070 CA LYS A 70 8.969 -12.496 2.950 1.00 0.00 C ATOM 1071 C LYS A 70 8.881 -10.985 2.812 1.00 0.00 C ATOM 1072 O LYS A 70 7.877 -10.395 3.202 1.00 0.00 O ATOM 1073 CB LYS A 70 8.329 -13.160 1.718 1.00 0.00 C ATOM 1074 CG LYS A 70 8.785 -14.602 1.457 1.00 0.00 C ATOM 1075 CD LYS A 70 8.639 -15.535 2.661 1.00 0.00 C ATOM 1076 CE LYS A 70 8.942 -16.985 2.268 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.863 -17.892 3.435 1.00 0.00 N ATOM 0 H LYS A 70 7.412 -13.411 4.020 1.00 0.00 H new ATOM 0 HA LYS A 70 10.006 -12.826 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.246 -13.152 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.555 -12.557 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.209 -15.008 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.830 -14.590 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.316 -15.220 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.627 -15.466 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.236 -17.311 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.937 -17.043 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.888 -18.879 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.670 -17.716 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.976 -17.719 3.950 1.00 0.00 H new ATOM 1091 N GLU A 71 9.896 -10.352 2.234 1.00 0.00 N ATOM 1092 CA GLU A 71 9.790 -8.945 1.875 1.00 0.00 C ATOM 1093 C GLU A 71 8.740 -8.831 0.771 1.00 0.00 C ATOM 1094 O GLU A 71 8.776 -9.588 -0.199 1.00 0.00 O ATOM 1095 CB GLU A 71 11.160 -8.381 1.484 1.00 0.00 C ATOM 1096 CG GLU A 71 11.109 -6.853 1.353 1.00 0.00 C ATOM 1097 CD GLU A 71 12.515 -6.238 1.393 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.159 -6.097 0.329 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.969 -5.882 2.505 1.00 0.00 O ATOM 0 H GLU A 71 10.791 -10.786 2.007 1.00 0.00 H new ATOM 0 HA GLU A 71 9.466 -8.339 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.900 -8.661 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.482 -8.820 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.619 -6.583 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.506 -6.437 2.160 1.00 0.00 H new ATOM 1106 N VAL A 72 7.797 -7.907 0.931 1.00 0.00 N ATOM 1107 CA VAL A 72 6.611 -7.761 0.092 1.00 0.00 C ATOM 1108 C VAL A 72 6.987 -7.646 -1.388 1.00 0.00 C ATOM 1109 O VAL A 72 6.341 -8.273 -2.227 1.00 0.00 O ATOM 1110 CB VAL A 72 5.796 -6.557 0.619 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.814 -5.973 -0.404 1.00 0.00 C ATOM 1112 CG2 VAL A 72 5.031 -6.961 1.889 1.00 0.00 C ATOM 0 H VAL A 72 7.839 -7.213 1.677 1.00 0.00 H new ATOM 0 HA VAL A 72 5.984 -8.651 0.152 1.00 0.00 H new ATOM 0 HB VAL A 72 6.522 -5.773 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.281 -5.133 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.363 -5.630 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.099 -6.740 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.459 -6.109 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.352 -7.782 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.739 -7.279 2.654 1.00 0.00 H new ATOM 1122 N LEU A 73 8.038 -6.888 -1.724 1.00 0.00 N ATOM 1123 CA LEU A 73 8.423 -6.710 -3.121 1.00 0.00 C ATOM 1124 C LEU A 73 8.927 -8.028 -3.711 1.00 0.00 C ATOM 1125 O LEU A 73 8.593 -8.352 -4.850 1.00 0.00 O ATOM 1126 CB LEU A 73 9.488 -5.610 -3.272 1.00 0.00 C ATOM 1127 CG LEU A 73 9.040 -4.195 -2.845 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.185 -3.209 -3.095 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.786 -3.704 -3.581 1.00 0.00 C ATOM 0 H LEU A 73 8.628 -6.395 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 73 7.537 -6.396 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.362 -5.890 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.804 -5.574 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 73 8.786 -4.250 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.875 -2.208 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.057 -3.508 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.440 -3.208 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.528 -2.704 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.981 -3.675 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.957 -4.383 -3.381 1.00 0.00 H new ATOM 1141 N GLU A 74 9.692 -8.814 -2.947 1.00 0.00 N ATOM 1142 CA GLU A 74 10.193 -10.107 -3.406 1.00 0.00 C ATOM 1143 C GLU A 74 9.049 -11.122 -3.480 1.00 0.00 C ATOM 1144 O GLU A 74 8.996 -11.916 -4.419 1.00 0.00 O ATOM 1145 CB GLU A 74 11.309 -10.627 -2.485 1.00 0.00 C ATOM 1146 CG GLU A 74 12.551 -9.723 -2.499 1.00 0.00 C ATOM 1147 CD GLU A 74 13.751 -10.401 -1.812 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.862 -10.355 -0.567 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.610 -10.980 -2.517 1.00 0.00 O ATOM 0 H GLU A 74 9.978 -8.571 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 74 10.613 -9.973 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.929 -10.702 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.592 -11.633 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.811 -9.477 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.324 -8.784 -1.994 1.00 0.00 H new ATOM 1156 N TYR A 75 8.115 -11.075 -2.525 1.00 0.00 N ATOM 1157 CA TYR A 75 6.945 -11.938 -2.488 1.00 0.00 C ATOM 1158 C TYR A 75 6.092 -11.712 -3.734 1.00 0.00 C ATOM 1159 O TYR A 75 5.813 -12.657 -4.470 1.00 0.00 O ATOM 1160 CB TYR A 75 6.140 -11.664 -1.209 1.00 0.00 C ATOM 1161 CG TYR A 75 4.905 -12.530 -1.054 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.008 -13.811 -0.480 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.649 -12.049 -1.472 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.862 -14.608 -0.309 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.501 -12.844 -1.317 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.599 -14.127 -0.728 1.00 0.00 C ATOM 1167 OH TYR A 75 1.471 -14.879 -0.568 1.00 0.00 O ATOM 0 H TYR A 75 8.158 -10.421 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 75 7.261 -12.981 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.788 -11.817 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.839 -10.616 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.973 -14.184 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.568 -11.066 -1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.946 -15.586 0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.541 -12.475 -1.648 1.00 0.00 H new ATOM 0 HH TYR A 75 0.904 -14.476 0.122 1.00 0.00 H new ATOM 1177 N LEU A 76 5.713 -10.460 -4.012 1.00 0.00 N ATOM 1178 CA LEU A 76 4.900 -10.122 -5.178 1.00 0.00 C ATOM 1179 C LEU A 76 5.687 -10.385 -6.462 1.00 0.00 C ATOM 1180 O LEU A 76 5.106 -10.784 -7.470 1.00 0.00 O ATOM 1181 CB LEU A 76 4.449 -8.652 -5.109 1.00 0.00 C ATOM 1182 CG LEU A 76 3.430 -8.328 -3.993 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.119 -6.827 -4.009 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.134 -9.131 -4.144 1.00 0.00 C ATOM 0 H LEU A 76 5.962 -9.657 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 76 4.011 -10.752 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.329 -8.025 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.012 -8.377 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 76 3.877 -8.610 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.400 -6.596 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.036 -6.264 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.699 -6.553 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.448 -8.870 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.671 -8.898 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.359 -10.197 -4.099 1.00 0.00 H new ATOM 1196 N GLY A 77 7.009 -10.204 -6.419 1.00 0.00 N ATOM 1197 CA GLY A 77 7.902 -10.411 -7.548 1.00 0.00 C ATOM 1198 C GLY A 77 8.142 -11.884 -7.897 1.00 0.00 C ATOM 1199 O GLY A 77 8.746 -12.145 -8.937 1.00 0.00 O ATOM 0 H GLY A 77 7.494 -9.902 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.489 -9.905 -8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.860 -9.940 -7.330 1.00 0.00 H new ATOM 1203 N ASN A 78 7.710 -12.846 -7.072 1.00 0.00 N ATOM 1204 CA ASN A 78 7.929 -14.272 -7.316 1.00 0.00 C ATOM 1205 C ASN A 78 6.856 -14.822 -8.270 1.00 0.00 C ATOM 1206 O ASN A 78 5.690 -14.903 -7.870 1.00 0.00 O ATOM 1207 CB ASN A 78 7.888 -15.041 -5.989 1.00 0.00 C ATOM 1208 CG ASN A 78 8.024 -16.543 -6.217 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.834 -16.995 -7.020 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.229 -17.349 -5.539 1.00 0.00 N ATOM 0 H ASN A 78 7.196 -12.653 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 78 8.908 -14.402 -7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.692 -14.695 -5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.951 -14.832 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.285 -18.358 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.559 -16.963 -4.874 1.00 0.00 H new ATOM 1217 N PRO A 79 7.187 -15.230 -9.509 1.00 0.00 N ATOM 1218 CA PRO A 79 6.172 -15.565 -10.501 1.00 0.00 C ATOM 1219 C PRO A 79 5.433 -16.874 -10.239 1.00 0.00 C ATOM 1220 O PRO A 79 4.327 -17.042 -10.756 1.00 0.00 O ATOM 1221 CB PRO A 79 6.874 -15.506 -11.853 1.00 0.00 C ATOM 1222 CG PRO A 79 8.311 -15.890 -11.505 1.00 0.00 C ATOM 1223 CD PRO A 79 8.508 -15.269 -10.121 1.00 0.00 C ATOM 0 HA PRO A 79 5.353 -14.847 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.432 -16.199 -12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.817 -14.511 -12.295 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.446 -16.971 -11.485 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.022 -15.493 -12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.199 -15.862 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.932 -14.268 -10.199 1.00 0.00 H new ATOM 1231 N ALA A 80 5.954 -17.753 -9.374 1.00 0.00 N ATOM 1232 CA ALA A 80 5.207 -18.918 -8.908 1.00 0.00 C ATOM 1233 C ALA A 80 3.946 -18.520 -8.112 1.00 0.00 C ATOM 1234 O ALA A 80 3.095 -19.377 -7.868 1.00 0.00 O ATOM 1235 CB ALA A 80 6.118 -19.835 -8.086 1.00 0.00 C ATOM 0 H ALA A 80 6.893 -17.675 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 80 4.861 -19.465 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.550 -20.700 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.951 -20.169 -8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.502 -19.289 -7.224 1.00 0.00 H new ATOM 1241 N ASN A 81 3.801 -17.243 -7.729 1.00 0.00 N ATOM 1242 CA ASN A 81 2.610 -16.692 -7.083 1.00 0.00 C ATOM 1243 C ASN A 81 2.213 -15.337 -7.680 1.00 0.00 C ATOM 1244 O ASN A 81 1.678 -14.493 -6.966 1.00 0.00 O ATOM 1245 CB ASN A 81 2.774 -16.640 -5.550 1.00 0.00 C ATOM 1246 CG ASN A 81 3.885 -15.732 -5.027 1.00 0.00 C ATOM 1247 OD1 ASN A 81 4.886 -16.211 -4.501 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.732 -14.426 -5.120 1.00 0.00 N ATOM 0 H ASN A 81 4.534 -16.547 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 81 1.781 -17.370 -7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.830 -16.314 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.959 -17.652 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.450 -13.801 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.896 -14.040 -5.559 1.00 0.00 H new ATOM 1255 N TYR A 82 2.469 -15.094 -8.970 1.00 0.00 N ATOM 1256 CA TYR A 82 2.023 -13.864 -9.630 1.00 0.00 C ATOM 1257 C TYR A 82 0.520 -13.552 -9.506 1.00 0.00 C ATOM 1258 O TYR A 82 0.225 -12.372 -9.314 1.00 0.00 O ATOM 1259 CB TYR A 82 2.476 -13.831 -11.100 1.00 0.00 C ATOM 1260 CG TYR A 82 3.764 -13.086 -11.428 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.627 -12.562 -10.436 1.00 0.00 C ATOM 1262 CD2 TYR A 82 4.089 -12.907 -12.787 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.772 -11.839 -10.811 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.238 -12.193 -13.167 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.084 -11.646 -12.176 1.00 0.00 C ATOM 1266 OH TYR A 82 7.197 -10.938 -12.519 1.00 0.00 O ATOM 0 H TYR A 82 2.983 -15.733 -9.577 1.00 0.00 H new ATOM 0 HA TYR A 82 2.514 -13.063 -9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.589 -14.861 -11.439 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.673 -13.387 -11.688 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.405 -12.718 -9.391 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.446 -13.324 -13.548 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.419 -11.428 -10.050 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.474 -12.063 -14.213 1.00 0.00 H new ATOM 0 HH TYR A 82 7.270 -10.897 -13.495 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.439 -14.496 -9.601 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.832 -14.171 -9.308 1.00 0.00 C ATOM 1278 C PRO A 83 -1.980 -13.890 -7.805 1.00 0.00 C ATOM 1279 O PRO A 83 -1.672 -14.752 -6.975 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.658 -15.368 -9.787 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.670 -16.532 -9.767 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.324 -15.872 -10.068 1.00 0.00 C ATOM 0 HA PRO A 83 -2.180 -13.272 -9.817 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.508 -15.555 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.058 -15.202 -10.787 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.662 -17.034 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.923 -17.284 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.488 -16.391 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.103 -15.905 -11.135 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.461 -12.698 -7.452 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.519 -12.189 -6.082 1.00 0.00 C ATOM 1292 C VAL A 84 -3.770 -11.332 -5.885 1.00 0.00 C ATOM 1293 O VAL A 84 -4.424 -10.944 -6.855 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.263 -11.338 -5.759 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.020 -12.169 -5.710 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.058 -10.169 -6.741 1.00 0.00 C ATOM 0 H VAL A 84 -2.833 -12.038 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.554 -13.045 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.461 -10.932 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.865 -11.520 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.071 -12.934 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.181 -12.646 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.164 -9.612 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.942 -10.559 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.924 -9.507 -6.705 1.00 0.00 H new ATOM 1306 N SER A 85 -4.057 -10.983 -4.634 1.00 0.00 N ATOM 1307 CA SER A 85 -5.059 -10.001 -4.256 1.00 0.00 C ATOM 1308 C SER A 85 -4.355 -8.985 -3.360 1.00 0.00 C ATOM 1309 O SER A 85 -3.552 -9.379 -2.510 1.00 0.00 O ATOM 1310 CB SER A 85 -6.241 -10.677 -3.552 1.00 0.00 C ATOM 1311 OG SER A 85 -6.814 -11.680 -4.379 1.00 0.00 O ATOM 0 H SER A 85 -3.580 -11.392 -3.831 1.00 0.00 H new ATOM 0 HA SER A 85 -5.480 -9.500 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.906 -11.120 -2.614 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.995 -9.931 -3.301 1.00 0.00 H new ATOM 0 HG SER A 85 -7.565 -12.100 -3.911 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.632 -7.694 -3.538 1.00 0.00 N ATOM 1318 CA ILE A 86 -3.954 -6.603 -2.842 1.00 0.00 C ATOM 1319 C ILE A 86 -5.047 -5.719 -2.247 1.00 0.00 C ATOM 1320 O ILE A 86 -6.063 -5.475 -2.901 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.055 -5.787 -3.811 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.178 -6.625 -4.770 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.161 -4.812 -3.029 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.053 -7.409 -4.102 1.00 0.00 C ATOM 0 H ILE A 86 -5.351 -7.371 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.297 -6.994 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.761 -5.251 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.819 -7.325 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.743 -5.959 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.539 -4.250 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.785 -4.122 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.524 -5.372 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.497 -7.963 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.382 -6.719 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.475 -8.106 -3.379 1.00 0.00 H new ATOM 1336 N ARG A 87 -4.824 -5.221 -1.031 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.742 -4.385 -0.267 1.00 0.00 C ATOM 1338 C ARG A 87 -4.925 -3.188 0.196 1.00 0.00 C ATOM 1339 O ARG A 87 -3.864 -3.381 0.802 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.258 -5.218 0.914 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.339 -4.529 1.755 1.00 0.00 C ATOM 1342 CD ARG A 87 -7.638 -5.260 3.071 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.007 -6.672 2.870 1.00 0.00 N ATOM 1344 CZ ARG A 87 -8.321 -7.559 3.820 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -8.360 -7.218 5.106 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -8.591 -8.798 3.439 1.00 0.00 N ATOM 0 H ARG A 87 -3.954 -5.400 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.605 -4.043 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.657 -6.158 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.417 -5.468 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.023 -3.510 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.256 -4.458 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.762 -5.207 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.449 -4.748 3.589 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.025 -7.008 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.147 -6.261 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.603 -7.914 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.555 -9.047 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.835 -9.504 4.134 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.400 -1.975 -0.077 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.641 -0.740 0.097 1.00 0.00 C ATOM 1362 C PHE A 88 -5.542 0.406 0.556 1.00 0.00 C ATOM 1363 O PHE A 88 -6.766 0.345 0.416 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.956 -0.387 -1.241 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.858 -0.498 -2.461 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -5.847 0.474 -2.715 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.751 -1.618 -3.309 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -6.745 0.303 -3.784 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -5.643 -1.783 -4.382 1.00 0.00 C ATOM 1370 CZ PHE A 88 -6.645 -0.826 -4.616 1.00 0.00 C ATOM 0 H PHE A 88 -6.343 -1.821 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.889 -0.890 0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.572 0.631 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.097 -1.044 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.915 1.351 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.980 -2.353 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.513 1.040 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.559 -2.645 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.338 -0.958 -5.434 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.934 1.472 1.074 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.642 2.647 1.565 1.00 0.00 C ATOM 1382 C GLY A 89 -4.676 3.765 1.929 1.00 0.00 C ATOM 1383 O GLY A 89 -3.481 3.688 1.632 1.00 0.00 O ATOM 0 H GLY A 89 -3.920 1.542 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.338 2.999 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.235 2.378 2.439 1.00 0.00 H new ATOM 1387 N ARG A 90 -5.190 4.823 2.565 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.334 5.857 3.155 1.00 0.00 C ATOM 1389 C ARG A 90 -3.435 5.175 4.197 1.00 0.00 C ATOM 1390 O ARG A 90 -3.945 4.304 4.911 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.161 6.984 3.811 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.894 7.919 2.830 1.00 0.00 C ATOM 1393 CD ARG A 90 -7.168 7.323 2.206 1.00 0.00 C ATOM 1394 NE ARG A 90 -7.072 7.233 0.743 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.886 6.550 -0.068 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -8.962 5.913 0.379 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -7.617 6.478 -1.361 1.00 0.00 N ATOM 0 H ARG A 90 -6.190 4.985 2.684 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.737 6.325 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.897 6.532 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.497 7.585 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.158 8.838 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.208 8.194 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.344 6.330 2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.026 7.938 2.476 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.307 7.743 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.191 5.934 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.559 5.402 -0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.790 6.943 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.236 5.958 -1.983 1.00 0.00 H new ATOM 1411 N PRO A 91 -2.148 5.553 4.315 1.00 0.00 N ATOM 1412 CA PRO A 91 -1.176 4.838 5.137 1.00 0.00 C ATOM 1413 C PRO A 91 -1.636 4.695 6.589 1.00 0.00 C ATOM 1414 O PRO A 91 -2.348 5.552 7.119 1.00 0.00 O ATOM 1415 CB PRO A 91 0.150 5.600 5.001 1.00 0.00 C ATOM 1416 CG PRO A 91 -0.252 6.969 4.457 1.00 0.00 C ATOM 1417 CD PRO A 91 -1.507 6.672 3.641 1.00 0.00 C ATOM 0 HA PRO A 91 -1.058 3.810 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.658 5.688 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.834 5.089 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.454 7.677 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.535 7.403 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -2.167 7.539 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.256 6.419 2.611 1.00 0.00 H new ATOM 1425 N ARG A 92 -1.229 3.598 7.231 1.00 0.00 N ATOM 1426 CA ARG A 92 -1.604 3.248 8.600 1.00 0.00 C ATOM 1427 C ARG A 92 -0.486 2.418 9.222 1.00 0.00 C ATOM 1428 O ARG A 92 0.471 2.050 8.532 1.00 0.00 O ATOM 1429 CB ARG A 92 -2.938 2.463 8.593 1.00 0.00 C ATOM 1430 CG ARG A 92 -3.926 2.904 9.693 1.00 0.00 C ATOM 1431 CD ARG A 92 -4.381 4.370 9.578 1.00 0.00 C ATOM 1432 NE ARG A 92 -4.854 4.670 8.216 1.00 0.00 N ATOM 1433 CZ ARG A 92 -6.112 4.597 7.775 1.00 0.00 C ATOM 1434 NH1 ARG A 92 -7.134 4.540 8.621 1.00 0.00 N ATOM 1435 NH2 ARG A 92 -6.347 4.555 6.470 1.00 0.00 N ATOM 0 H ARG A 92 -0.612 2.910 6.799 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.746 4.151 9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.415 2.584 7.620 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.724 1.401 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.804 2.259 9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.459 2.755 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.179 4.564 10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.554 5.032 9.834 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.148 4.964 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.965 4.552 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.088 4.485 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.569 4.578 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.306 4.499 6.126 1.00 0.00 H new ATOM 1449 N LEU A 93 -0.603 2.133 10.519 1.00 0.00 N ATOM 1450 CA LEU A 93 0.285 1.207 11.208 1.00 0.00 C ATOM 1451 C LEU A 93 0.067 -0.205 10.650 1.00 0.00 C ATOM 1452 O LEU A 93 -1.039 -0.553 10.219 1.00 0.00 O ATOM 1453 CB LEU A 93 0.008 1.274 12.722 1.00 0.00 C ATOM 1454 CG LEU A 93 1.012 0.515 13.613 1.00 0.00 C ATOM 1455 CD1 LEU A 93 2.439 1.063 13.486 1.00 0.00 C ATOM 1456 CD2 LEU A 93 0.570 0.613 15.078 1.00 0.00 C ATOM 0 H LEU A 93 -1.319 2.541 11.120 1.00 0.00 H new ATOM 0 HA LEU A 93 1.328 1.477 11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.003 2.321 13.026 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.990 0.878 12.909 1.00 0.00 H new ATOM 0 HG LEU A 93 1.022 -0.522 13.278 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.106 0.494 14.133 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.773 0.973 12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.454 2.112 13.782 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.279 0.077 15.709 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.537 1.660 15.379 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.420 0.172 15.190 1.00 0.00 H new ATOM 1468 N THR A 94 1.114 -1.021 10.692 1.00 0.00 N ATOM 1469 CA THR A 94 1.181 -2.344 10.072 1.00 0.00 C ATOM 1470 C THR A 94 1.943 -3.320 10.991 1.00 0.00 C ATOM 1471 O THR A 94 2.608 -4.246 10.526 1.00 0.00 O ATOM 1472 CB THR A 94 1.828 -2.196 8.676 1.00 0.00 C ATOM 1473 OG1 THR A 94 2.962 -1.346 8.729 1.00 0.00 O ATOM 1474 CG2 THR A 94 0.873 -1.609 7.633 1.00 0.00 C ATOM 0 H THR A 94 1.975 -0.771 11.178 1.00 0.00 H new ATOM 0 HA THR A 94 0.185 -2.766 9.938 1.00 0.00 H new ATOM 0 HB THR A 94 2.105 -3.208 8.380 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.762 -1.880 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.385 -1.530 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.005 -2.259 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.548 -0.619 7.953 1.00 0.00 H new ATOM 1482 N SER A 95 1.907 -3.078 12.303 1.00 0.00 N ATOM 1483 CA SER A 95 2.683 -3.791 13.311 1.00 0.00 C ATOM 1484 C SER A 95 2.026 -3.582 14.685 1.00 0.00 C ATOM 1485 O SER A 95 1.062 -2.819 14.809 1.00 0.00 O ATOM 1486 CB SER A 95 4.140 -3.287 13.273 1.00 0.00 C ATOM 1487 OG SER A 95 4.220 -1.871 13.176 1.00 0.00 O ATOM 0 H SER A 95 1.313 -2.352 12.704 1.00 0.00 H new ATOM 0 HA SER A 95 2.700 -4.862 13.111 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.660 -3.617 14.173 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.655 -3.737 12.424 1.00 0.00 H new ATOM 0 HG SER A 95 5.161 -1.597 13.157 1.00 0.00 H new ATOM 1493 N ASN A 96 2.536 -4.256 15.719 1.00 0.00 N ATOM 1494 CA ASN A 96 2.103 -4.111 17.107 1.00 0.00 C ATOM 1495 C ASN A 96 3.302 -4.360 18.007 1.00 0.00 C ATOM 1496 O ASN A 96 4.045 -5.330 17.747 1.00 0.00 O ATOM 1497 CB ASN A 96 0.994 -5.114 17.451 1.00 0.00 C ATOM 1498 CG ASN A 96 0.659 -5.028 18.934 1.00 0.00 C ATOM 1499 OD1 ASN A 96 1.003 -5.908 19.718 1.00 0.00 O ATOM 1500 ND2 ASN A 96 -0.005 -3.963 19.353 1.00 0.00 N ATOM 1501 OXT ASN A 96 3.521 -3.572 18.947 1.00 0.00 O ATOM 0 H ASN A 96 3.285 -4.939 15.607 1.00 0.00 H new ATOM 0 HA ASN A 96 1.706 -3.107 17.253 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.105 -4.905 16.856 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.315 -6.125 17.200 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.239 -3.864 20.341 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.283 -3.241 18.688 1.00 0.00 H new TER 1508 ASN A 96