USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 974 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 74 THR OG1 : rot 180:sc= 0.119 USER MOD Set 1.2: A 77 THR OG1 : rot 115:sc= 0.0951 USER MOD Set 2.1: A 27 ASN : amide:sc= -0.785 K(o=-2,f=-9.5!) USER MOD Set 2.2: A 36 GLN : amide:sc= -1.24 K(o=-2,f=-9.7!) USER MOD Set 3.1: A 33 SER OG : rot -4:sc= 0.492 USER MOD Set 3.2: A 49 THR OG1 : rot -77:sc= 0.187 USER MOD Set 4.1: A 17 ASN : amide:sc= 0.424 K(o=1.2,f=-7.5!) USER MOD Set 4.2: A 19 SER OG : rot -78:sc= 0.78 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.49 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.4!) USER MOD Single : A 16 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.119) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.594 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -2.96! C(o=-3.9!,f=-3!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= -0.887 (180deg=-1.01) USER MOD Single : A 46 SER OG : rot 19:sc= 0.872 USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.121) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0503) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0836) USER MOD Single : A 71 SER OG : rot 31:sc= 0.891 USER MOD Single : A 73 SER OG : rot 77:sc= 0.0651 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0.237 (180deg=0.194) USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0103) USER MOD Single : A 81 SER OG : rot 180:sc=0.000444 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 4:sc= 1.32 USER MOD Single : A 87 SER OG : rot 20:sc= -0.212 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.073) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -148:sc= -0.312 (180deg=-1.73!) USER MOD Single : A 95 CYS SG : rot -78:sc= 0.0323 USER MOD Single : A 104 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.88) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0594) USER MOD Single : A 111 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0848) USER MOD Single : A 112 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.93) USER MOD Single : A 120 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 117.905 13.651 4.501 1.00 0.00 N ATOM 2 CA GLY A -3 119.281 14.150 4.776 1.00 0.00 C ATOM 3 C GLY A -3 120.259 13.532 3.774 1.00 0.00 C ATOM 4 O GLY A -3 120.184 13.788 2.586 1.00 0.00 O ATOM 0 H1 GLY A -3 117.241 14.071 5.182 1.00 0.00 H new ATOM 0 H2 GLY A -3 117.626 13.918 3.535 1.00 0.00 H new ATOM 0 H3 GLY A -3 117.886 12.615 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A -3 119.306 15.237 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A -3 119.576 13.893 5.793 1.00 0.00 H new ATOM 10 N ALA A -2 121.175 12.721 4.248 1.00 0.00 N ATOM 11 CA ALA A -2 122.169 12.078 3.328 1.00 0.00 C ATOM 12 C ALA A -2 121.467 11.079 2.402 1.00 0.00 C ATOM 13 O ALA A -2 121.853 10.904 1.260 1.00 0.00 O ATOM 14 CB ALA A -2 123.162 11.352 4.241 1.00 0.00 C ATOM 0 H ALA A -2 121.278 12.476 5.233 1.00 0.00 H new ATOM 0 HA ALA A -2 122.666 12.810 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A -2 123.920 10.857 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A -2 123.641 12.073 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A -2 122.632 10.608 4.836 1.00 0.00 H new ATOM 20 N MET A -1 120.439 10.424 2.889 1.00 0.00 N ATOM 21 CA MET A -1 119.703 9.425 2.045 1.00 0.00 C ATOM 22 C MET A -1 119.016 10.125 0.866 1.00 0.00 C ATOM 23 O MET A -1 118.934 9.584 -0.222 1.00 0.00 O ATOM 24 CB MET A -1 118.660 8.796 2.972 1.00 0.00 C ATOM 25 CG MET A -1 119.365 7.975 4.054 1.00 0.00 C ATOM 26 SD MET A -1 118.130 7.124 5.067 1.00 0.00 S ATOM 27 CE MET A -1 119.276 6.416 6.274 1.00 0.00 C ATOM 0 H MET A -1 120.077 10.538 3.836 1.00 0.00 H new ATOM 0 HA MET A -1 120.375 8.677 1.625 1.00 0.00 H new ATOM 0 HB2 MET A -1 118.050 9.574 3.431 1.00 0.00 H new ATOM 0 HB3 MET A -1 117.986 8.159 2.399 1.00 0.00 H new ATOM 0 HG2 MET A -1 120.037 7.250 3.595 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.977 8.626 4.678 1.00 0.00 H new ATOM 0 HE1 MET A -1 118.718 5.837 7.010 1.00 0.00 H new ATOM 0 HE2 MET A -1 119.986 5.765 5.763 1.00 0.00 H new ATOM 0 HE3 MET A -1 119.816 7.218 6.777 1.00 0.00 H new ATOM 37 N GLY A 0 118.526 11.322 1.080 1.00 0.00 N ATOM 38 CA GLY A 0 117.842 12.068 -0.019 1.00 0.00 C ATOM 39 C GLY A 0 116.444 11.486 -0.240 1.00 0.00 C ATOM 40 O GLY A 0 115.447 12.139 0.004 1.00 0.00 O ATOM 0 H GLY A 0 118.571 11.815 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 0 117.771 13.126 0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.425 11.999 -0.937 1.00 0.00 H new ATOM 44 N MET A 1 116.369 10.260 -0.703 1.00 0.00 N ATOM 45 CA MET A 1 115.040 9.620 -0.948 1.00 0.00 C ATOM 46 C MET A 1 114.838 8.439 0.007 1.00 0.00 C ATOM 47 O MET A 1 115.791 7.843 0.476 1.00 0.00 O ATOM 48 CB MET A 1 115.094 9.135 -2.397 1.00 0.00 C ATOM 49 CG MET A 1 114.839 10.313 -3.345 1.00 0.00 C ATOM 50 SD MET A 1 116.391 11.192 -3.659 1.00 0.00 S ATOM 51 CE MET A 1 115.669 12.824 -3.960 1.00 0.00 C ATOM 0 H MET A 1 117.175 9.675 -0.922 1.00 0.00 H new ATOM 0 HA MET A 1 114.212 10.309 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.067 8.691 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.348 8.357 -2.559 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.418 9.952 -4.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 114.107 10.992 -2.908 1.00 0.00 H new ATOM 0 HE1 MET A 1 116.463 13.538 -4.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 114.987 12.769 -4.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 115.122 13.149 -3.075 1.00 0.00 H new ATOM 61 N SER A 2 113.605 8.100 0.293 1.00 0.00 N ATOM 62 CA SER A 2 113.324 6.965 1.225 1.00 0.00 C ATOM 63 C SER A 2 112.465 5.906 0.527 1.00 0.00 C ATOM 64 O SER A 2 111.701 6.208 -0.370 1.00 0.00 O ATOM 65 CB SER A 2 112.559 7.590 2.391 1.00 0.00 C ATOM 66 OG SER A 2 113.344 8.629 2.964 1.00 0.00 O ATOM 0 H SER A 2 112.777 8.563 -0.081 1.00 0.00 H new ATOM 0 HA SER A 2 114.236 6.467 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.605 7.988 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.334 6.832 3.141 1.00 0.00 H new ATOM 0 HG SER A 2 112.856 9.034 3.711 1.00 0.00 H new ATOM 72 N VAL A 3 112.590 4.665 0.937 1.00 0.00 N ATOM 73 CA VAL A 3 111.777 3.569 0.311 1.00 0.00 C ATOM 74 C VAL A 3 110.288 3.767 0.636 1.00 0.00 C ATOM 75 O VAL A 3 109.426 3.414 -0.148 1.00 0.00 O ATOM 76 CB VAL A 3 112.301 2.258 0.925 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.539 1.064 0.339 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.792 2.099 0.609 1.00 0.00 C ATOM 0 H VAL A 3 113.221 4.362 1.679 1.00 0.00 H new ATOM 0 HA VAL A 3 111.869 3.561 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 3 112.153 2.292 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.916 0.141 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.477 1.165 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.682 1.036 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 3 114.159 1.170 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.934 2.074 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.344 2.940 1.028 1.00 0.00 H new ATOM 88 N ALA A 4 109.987 4.328 1.785 1.00 0.00 N ATOM 89 CA ALA A 4 108.553 4.527 2.183 1.00 0.00 C ATOM 90 C ALA A 4 107.834 5.441 1.182 1.00 0.00 C ATOM 91 O ALA A 4 106.640 5.326 0.976 1.00 0.00 O ATOM 92 CB ALA A 4 108.603 5.188 3.564 1.00 0.00 C ATOM 0 H ALA A 4 110.672 4.657 2.465 1.00 0.00 H new ATOM 0 HA ALA A 4 108.006 3.584 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.588 5.364 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.124 4.533 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.133 6.138 3.494 1.00 0.00 H new ATOM 98 N ASP A 5 108.555 6.346 0.561 1.00 0.00 N ATOM 99 CA ASP A 5 107.923 7.256 -0.452 1.00 0.00 C ATOM 100 C ASP A 5 107.402 6.449 -1.646 1.00 0.00 C ATOM 101 O ASP A 5 106.350 6.738 -2.187 1.00 0.00 O ATOM 102 CB ASP A 5 109.038 8.209 -0.898 1.00 0.00 C ATOM 103 CG ASP A 5 109.455 9.102 0.274 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.579 9.551 0.996 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.645 9.323 0.430 1.00 0.00 O ATOM 0 H ASP A 5 109.553 6.494 0.711 1.00 0.00 H new ATOM 0 HA ASP A 5 107.072 7.794 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.895 7.639 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.693 8.823 -1.730 1.00 0.00 H new ATOM 110 N PHE A 6 108.134 5.441 -2.058 1.00 0.00 N ATOM 111 CA PHE A 6 107.675 4.592 -3.204 1.00 0.00 C ATOM 112 C PHE A 6 106.474 3.740 -2.780 1.00 0.00 C ATOM 113 O PHE A 6 105.588 3.471 -3.571 1.00 0.00 O ATOM 114 CB PHE A 6 108.868 3.703 -3.560 1.00 0.00 C ATOM 115 CG PHE A 6 110.054 4.473 -4.093 1.00 0.00 C ATOM 116 CD1 PHE A 6 111.042 4.956 -3.201 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.176 4.714 -5.483 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.153 5.679 -3.699 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.287 5.437 -5.982 1.00 0.00 C ATOM 120 CZ PHE A 6 112.275 5.920 -5.089 1.00 0.00 C ATOM 0 H PHE A 6 109.029 5.170 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 6 107.356 5.193 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.174 3.147 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.556 2.970 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.948 4.773 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.422 4.346 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.907 6.047 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.381 5.620 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.122 6.472 -5.469 1.00 0.00 H new ATOM 130 N TYR A 7 106.443 3.316 -1.539 1.00 0.00 N ATOM 131 CA TYR A 7 105.265 2.534 -1.034 1.00 0.00 C ATOM 132 C TYR A 7 104.026 3.433 -0.981 1.00 0.00 C ATOM 133 O TYR A 7 104.086 4.558 -0.518 1.00 0.00 O ATOM 134 CB TYR A 7 105.654 2.060 0.376 1.00 0.00 C ATOM 135 CG TYR A 7 106.130 0.623 0.433 1.00 0.00 C ATOM 136 CD1 TYR A 7 107.000 0.115 -0.566 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.711 -0.215 1.495 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.448 -1.227 -0.500 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.158 -1.557 1.560 1.00 0.00 C ATOM 140 CZ TYR A 7 107.026 -2.062 0.563 1.00 0.00 C ATOM 141 OH TYR A 7 107.465 -3.367 0.631 1.00 0.00 O ATOM 0 H TYR A 7 107.181 3.476 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 7 105.024 1.692 -1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.441 2.708 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.794 2.174 1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.321 0.752 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.049 0.170 2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.111 -1.613 -1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.837 -2.195 2.370 1.00 0.00 H new ATOM 0 HH TYR A 7 107.082 -3.800 1.422 1.00 0.00 H new ATOM 151 N GLY A 8 102.907 2.941 -1.453 1.00 0.00 N ATOM 152 CA GLY A 8 101.671 3.779 -1.496 1.00 0.00 C ATOM 153 C GLY A 8 101.700 4.723 -2.710 1.00 0.00 C ATOM 154 O GLY A 8 100.823 5.553 -2.868 1.00 0.00 O ATOM 0 H GLY A 8 102.797 1.992 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.791 3.137 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.587 4.361 -0.578 1.00 0.00 H new ATOM 158 N SER A 9 102.694 4.609 -3.567 1.00 0.00 N ATOM 159 CA SER A 9 102.743 5.475 -4.787 1.00 0.00 C ATOM 160 C SER A 9 101.959 4.821 -5.928 1.00 0.00 C ATOM 161 O SER A 9 101.960 3.612 -6.075 1.00 0.00 O ATOM 162 CB SER A 9 104.225 5.583 -5.147 1.00 0.00 C ATOM 163 OG SER A 9 104.377 6.466 -6.251 1.00 0.00 O ATOM 0 H SER A 9 103.470 3.954 -3.471 1.00 0.00 H new ATOM 0 HA SER A 9 102.298 6.455 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.793 5.950 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.623 4.599 -5.396 1.00 0.00 H new ATOM 0 HG SER A 9 105.326 6.539 -6.483 1.00 0.00 H new ATOM 169 N ASN A 10 101.293 5.609 -6.736 1.00 0.00 N ATOM 170 CA ASN A 10 100.558 5.042 -7.909 1.00 0.00 C ATOM 171 C ASN A 10 101.464 5.041 -9.141 1.00 0.00 C ATOM 172 O ASN A 10 101.852 6.081 -9.641 1.00 0.00 O ATOM 173 CB ASN A 10 99.361 5.971 -8.123 1.00 0.00 C ATOM 174 CG ASN A 10 98.345 5.296 -9.047 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.713 4.589 -9.964 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.070 5.488 -8.842 1.00 0.00 N ATOM 0 H ASN A 10 101.227 6.622 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 10 100.243 4.012 -7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.896 6.208 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.693 6.914 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.383 5.044 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.761 6.082 -8.072 1.00 0.00 H new ATOM 183 N VAL A 11 101.797 3.873 -9.629 1.00 0.00 N ATOM 184 CA VAL A 11 102.661 3.772 -10.844 1.00 0.00 C ATOM 185 C VAL A 11 102.028 2.801 -11.842 1.00 0.00 C ATOM 186 O VAL A 11 101.183 2.002 -11.481 1.00 0.00 O ATOM 187 CB VAL A 11 104.019 3.240 -10.348 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.649 4.256 -9.392 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.836 1.903 -9.613 1.00 0.00 C ATOM 0 H VAL A 11 101.505 2.979 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 11 102.777 4.730 -11.351 1.00 0.00 H new ATOM 0 HB VAL A 11 104.669 3.087 -11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.610 3.879 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.799 5.202 -9.913 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.988 4.412 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.805 1.541 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.177 2.046 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.396 1.172 -10.291 1.00 0.00 H new ATOM 199 N GLU A 12 102.425 2.864 -13.090 1.00 0.00 N ATOM 200 CA GLU A 12 101.940 1.856 -14.079 1.00 0.00 C ATOM 201 C GLU A 12 103.130 1.073 -14.638 1.00 0.00 C ATOM 202 O GLU A 12 104.212 1.601 -14.793 1.00 0.00 O ATOM 203 CB GLU A 12 101.257 2.677 -15.178 1.00 0.00 C ATOM 204 CG GLU A 12 100.630 1.738 -16.215 1.00 0.00 C ATOM 205 CD GLU A 12 99.890 2.559 -17.277 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.406 3.592 -17.669 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.818 2.137 -17.680 1.00 0.00 O ATOM 0 H GLU A 12 103.062 3.568 -13.464 1.00 0.00 H new ATOM 0 HA GLU A 12 101.256 1.128 -13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.490 3.317 -14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 12 101.983 3.332 -15.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.404 1.131 -16.685 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.939 1.051 -15.726 1.00 0.00 H new ATOM 214 N VAL A 13 102.935 -0.185 -14.935 1.00 0.00 N ATOM 215 CA VAL A 13 104.040 -1.000 -15.523 1.00 0.00 C ATOM 216 C VAL A 13 103.519 -1.784 -16.726 1.00 0.00 C ATOM 217 O VAL A 13 102.391 -2.244 -16.726 1.00 0.00 O ATOM 218 CB VAL A 13 104.491 -1.948 -14.396 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.381 -2.949 -14.046 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.729 -2.725 -14.850 1.00 0.00 C ATOM 0 H VAL A 13 102.057 -0.684 -14.796 1.00 0.00 H new ATOM 0 HA VAL A 13 104.868 -0.387 -15.878 1.00 0.00 H new ATOM 0 HB VAL A 13 104.719 -1.349 -13.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.723 -3.608 -13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.494 -2.408 -13.715 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.136 -3.543 -14.926 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.050 -3.396 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.488 -3.307 -15.740 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.533 -2.026 -15.081 1.00 0.00 H new ATOM 230 N LEU A 14 104.322 -1.940 -17.747 1.00 0.00 N ATOM 231 CA LEU A 14 103.954 -2.917 -18.815 1.00 0.00 C ATOM 232 C LEU A 14 104.666 -4.235 -18.557 1.00 0.00 C ATOM 233 O LEU A 14 105.840 -4.262 -18.236 1.00 0.00 O ATOM 234 CB LEU A 14 104.414 -2.346 -20.166 1.00 0.00 C ATOM 235 CG LEU A 14 103.971 -0.882 -20.396 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.774 -0.672 -21.901 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.657 -0.554 -19.668 1.00 0.00 C ATOM 0 H LEU A 14 105.202 -1.443 -17.887 1.00 0.00 H new ATOM 0 HA LEU A 14 102.877 -3.085 -18.821 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.501 -2.403 -20.225 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.018 -2.968 -20.969 1.00 0.00 H new ATOM 0 HG LEU A 14 104.742 -0.222 -19.998 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.461 0.355 -22.087 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.712 -0.865 -22.421 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.009 -1.356 -22.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.385 0.484 -19.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.866 -1.209 -20.033 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.787 -0.704 -18.596 1.00 0.00 H new ATOM 249 N LEU A 15 103.965 -5.326 -18.697 1.00 0.00 N ATOM 250 CA LEU A 15 104.616 -6.654 -18.504 1.00 0.00 C ATOM 251 C LEU A 15 105.325 -7.082 -19.793 1.00 0.00 C ATOM 252 O LEU A 15 105.285 -6.391 -20.794 1.00 0.00 O ATOM 253 CB LEU A 15 103.482 -7.625 -18.160 1.00 0.00 C ATOM 254 CG LEU A 15 102.830 -7.217 -16.835 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.553 -8.031 -16.622 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.801 -7.486 -15.682 1.00 0.00 C ATOM 0 H LEU A 15 102.974 -5.357 -18.936 1.00 0.00 H new ATOM 0 HA LEU A 15 105.369 -6.630 -17.717 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.738 -7.626 -18.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.871 -8.641 -18.086 1.00 0.00 H new ATOM 0 HG LEU A 15 102.585 -6.155 -16.865 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.089 -7.741 -15.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.859 -7.841 -17.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.799 -9.093 -16.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.336 -7.195 -14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.047 -8.548 -15.653 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.712 -6.907 -15.831 1.00 0.00 H new ATOM 268 N ASN A 16 105.973 -8.221 -19.766 1.00 0.00 N ATOM 269 CA ASN A 16 106.742 -8.705 -20.968 1.00 0.00 C ATOM 270 C ASN A 16 105.839 -8.822 -22.207 1.00 0.00 C ATOM 271 O ASN A 16 106.315 -8.798 -23.328 1.00 0.00 O ATOM 272 CB ASN A 16 107.300 -10.084 -20.572 1.00 0.00 C ATOM 273 CG ASN A 16 106.158 -11.039 -20.200 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.293 -11.314 -21.008 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.119 -11.555 -19.002 1.00 0.00 N ATOM 0 H ASN A 16 106.006 -8.844 -18.959 1.00 0.00 H new ATOM 0 HA ASN A 16 107.533 -8.005 -21.236 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.876 -10.501 -21.398 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.983 -9.978 -19.729 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.363 -12.189 -18.744 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.845 -11.324 -18.324 1.00 0.00 H new ATOM 282 N ASN A 17 104.550 -8.949 -22.013 1.00 0.00 N ATOM 283 CA ASN A 17 103.628 -9.155 -23.175 1.00 0.00 C ATOM 284 C ASN A 17 102.929 -7.841 -23.571 1.00 0.00 C ATOM 285 O ASN A 17 101.858 -7.863 -24.147 1.00 0.00 O ATOM 286 CB ASN A 17 102.606 -10.203 -22.698 1.00 0.00 C ATOM 287 CG ASN A 17 101.794 -9.677 -21.503 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.175 -8.715 -20.864 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.682 -10.277 -21.175 1.00 0.00 N ATOM 0 H ASN A 17 104.095 -8.919 -21.101 1.00 0.00 H new ATOM 0 HA ASN A 17 104.166 -9.487 -24.063 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.932 -10.458 -23.516 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.124 -11.119 -22.415 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.134 -9.939 -20.384 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.361 -11.084 -21.710 1.00 0.00 H new ATOM 296 N ASP A 18 103.521 -6.697 -23.263 1.00 0.00 N ATOM 297 CA ASP A 18 102.941 -5.378 -23.696 1.00 0.00 C ATOM 298 C ASP A 18 101.510 -5.213 -23.162 1.00 0.00 C ATOM 299 O ASP A 18 100.709 -4.498 -23.736 1.00 0.00 O ATOM 300 CB ASP A 18 102.948 -5.387 -25.233 1.00 0.00 C ATOM 301 CG ASP A 18 104.391 -5.459 -25.739 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.879 -6.563 -25.922 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.982 -4.410 -25.934 1.00 0.00 O ATOM 0 H ASP A 18 104.386 -6.625 -22.727 1.00 0.00 H new ATOM 0 HA ASP A 18 103.523 -4.544 -23.304 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.379 -6.239 -25.604 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.463 -4.489 -25.614 1.00 0.00 H new ATOM 308 N SER A 19 101.188 -5.870 -22.070 1.00 0.00 N ATOM 309 CA SER A 19 99.895 -5.594 -21.379 1.00 0.00 C ATOM 310 C SER A 19 100.143 -4.600 -20.246 1.00 0.00 C ATOM 311 O SER A 19 101.070 -4.756 -19.472 1.00 0.00 O ATOM 312 CB SER A 19 99.433 -6.944 -20.829 1.00 0.00 C ATOM 313 OG SER A 19 100.309 -7.355 -19.787 1.00 0.00 O ATOM 0 H SER A 19 101.768 -6.585 -21.631 1.00 0.00 H new ATOM 0 HA SER A 19 99.143 -5.162 -22.039 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.413 -6.866 -20.452 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.422 -7.689 -21.625 1.00 0.00 H new ATOM 0 HG SER A 19 101.134 -7.714 -20.176 1.00 0.00 H new ATOM 319 N LYS A 20 99.327 -3.584 -20.140 1.00 0.00 N ATOM 320 CA LYS A 20 99.643 -2.467 -19.197 1.00 0.00 C ATOM 321 C LYS A 20 98.679 -2.482 -18.006 1.00 0.00 C ATOM 322 O LYS A 20 97.485 -2.654 -18.165 1.00 0.00 O ATOM 323 CB LYS A 20 99.454 -1.168 -20.003 1.00 0.00 C ATOM 324 CG LYS A 20 100.088 -1.285 -21.400 1.00 0.00 C ATOM 325 CD LYS A 20 100.163 0.101 -22.046 1.00 0.00 C ATOM 326 CE LYS A 20 98.759 0.549 -22.457 1.00 0.00 C ATOM 327 NZ LYS A 20 98.512 -0.112 -23.768 1.00 0.00 N ATOM 0 H LYS A 20 98.458 -3.478 -20.663 1.00 0.00 H new ATOM 0 HA LYS A 20 100.655 -2.558 -18.802 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.391 -0.948 -20.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.904 -0.334 -19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.086 -1.716 -21.323 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.498 -1.957 -22.023 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.595 0.817 -21.347 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.817 0.073 -22.918 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.017 0.249 -21.718 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.701 1.634 -22.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.494 0.606 -24.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.271 -0.796 -23.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.598 -0.608 -23.740 1.00 0.00 H new ATOM 341 N ALA A 21 99.200 -2.303 -16.816 1.00 0.00 N ATOM 342 CA ALA A 21 98.324 -2.202 -15.608 1.00 0.00 C ATOM 343 C ALA A 21 98.886 -1.155 -14.641 1.00 0.00 C ATOM 344 O ALA A 21 100.080 -0.915 -14.606 1.00 0.00 O ATOM 345 CB ALA A 21 98.359 -3.592 -14.974 1.00 0.00 C ATOM 0 H ALA A 21 100.200 -2.222 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 21 97.308 -1.896 -15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.738 -3.599 -14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.979 -4.326 -15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.385 -3.844 -14.706 1.00 0.00 H new ATOM 351 N ARG A 22 98.038 -0.531 -13.856 1.00 0.00 N ATOM 352 CA ARG A 22 98.520 0.508 -12.894 1.00 0.00 C ATOM 353 C ARG A 22 97.846 0.320 -11.533 1.00 0.00 C ATOM 354 O ARG A 22 96.797 -0.288 -11.435 1.00 0.00 O ATOM 355 CB ARG A 22 98.135 1.861 -13.516 1.00 0.00 C ATOM 356 CG ARG A 22 96.616 1.945 -13.726 1.00 0.00 C ATOM 357 CD ARG A 22 96.254 3.311 -14.317 1.00 0.00 C ATOM 358 NE ARG A 22 96.685 3.252 -15.752 1.00 0.00 N ATOM 359 CZ ARG A 22 96.822 4.348 -16.474 1.00 0.00 C ATOM 360 NH1 ARG A 22 96.585 5.539 -15.973 1.00 0.00 N ATOM 361 NH2 ARG A 22 97.201 4.246 -17.719 1.00 0.00 N ATOM 0 H ARG A 22 97.032 -0.698 -13.842 1.00 0.00 H new ATOM 0 HA ARG A 22 99.595 0.442 -12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.464 2.673 -12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.647 1.988 -14.470 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.287 1.149 -14.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.099 1.799 -12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 22 95.184 3.503 -14.236 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.763 4.116 -13.787 1.00 0.00 H new ATOM 0 HE ARG A 22 96.876 2.346 -16.179 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.287 5.634 -15.002 1.00 0.00 H new ATOM 0 HH12 ARG A 22 96.699 6.369 -16.555 1.00 0.00 H new ATOM 0 HH21 ARG A 22 97.387 3.328 -18.122 1.00 0.00 H new ATOM 0 HH22 ARG A 22 97.311 5.085 -18.289 1.00 0.00 H new ATOM 375 N GLY A 23 98.445 0.835 -10.487 1.00 0.00 N ATOM 376 CA GLY A 23 97.808 0.756 -9.139 1.00 0.00 C ATOM 377 C GLY A 23 98.729 1.399 -8.102 1.00 0.00 C ATOM 378 O GLY A 23 99.780 1.915 -8.435 1.00 0.00 O ATOM 0 H GLY A 23 99.349 1.307 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.844 1.265 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.617 -0.284 -8.876 1.00 0.00 H new ATOM 382 N VAL A 24 98.343 1.369 -6.851 1.00 0.00 N ATOM 383 CA VAL A 24 99.202 1.960 -5.778 1.00 0.00 C ATOM 384 C VAL A 24 100.032 0.852 -5.119 1.00 0.00 C ATOM 385 O VAL A 24 99.505 -0.154 -4.687 1.00 0.00 O ATOM 386 CB VAL A 24 98.231 2.590 -4.767 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.023 3.305 -3.670 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.329 3.610 -5.471 1.00 0.00 C ATOM 0 H VAL A 24 97.467 0.960 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 24 99.899 2.702 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 24 97.619 1.801 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.332 3.751 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.664 2.587 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.638 4.087 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.644 4.051 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.943 4.394 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.757 3.111 -6.254 1.00 0.00 H new ATOM 398 N ILE A 25 101.326 1.039 -5.040 1.00 0.00 N ATOM 399 CA ILE A 25 102.220 -0.043 -4.506 1.00 0.00 C ATOM 400 C ILE A 25 101.930 -0.286 -3.018 1.00 0.00 C ATOM 401 O ILE A 25 101.755 0.646 -2.253 1.00 0.00 O ATOM 402 CB ILE A 25 103.654 0.481 -4.717 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.930 0.603 -6.221 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.680 -0.475 -4.086 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.173 1.469 -6.445 1.00 0.00 C ATOM 0 H ILE A 25 101.805 1.894 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 25 102.065 -0.997 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 25 103.746 1.456 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.080 -0.386 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.070 1.045 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.686 -0.087 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.489 -0.559 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.593 -1.458 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.369 1.555 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 25 105.006 2.461 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 25 106.031 1.008 -5.955 1.00 0.00 H new ATOM 417 N THR A 26 101.879 -1.534 -2.611 1.00 0.00 N ATOM 418 CA THR A 26 101.570 -1.851 -1.182 1.00 0.00 C ATOM 419 C THR A 26 102.657 -2.735 -0.556 1.00 0.00 C ATOM 420 O THR A 26 102.976 -2.583 0.610 1.00 0.00 O ATOM 421 CB THR A 26 100.233 -2.596 -1.217 1.00 0.00 C ATOM 422 OG1 THR A 26 100.326 -3.693 -2.115 1.00 0.00 O ATOM 423 CG2 THR A 26 99.124 -1.648 -1.680 1.00 0.00 C ATOM 0 H THR A 26 102.038 -2.345 -3.208 1.00 0.00 H new ATOM 0 HA THR A 26 101.526 -0.946 -0.576 1.00 0.00 H new ATOM 0 HB THR A 26 99.998 -2.962 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.461 -3.359 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.174 -2.183 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.051 -0.808 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.356 -1.277 -2.678 1.00 0.00 H new ATOM 431 N ASN A 27 103.234 -3.653 -1.306 1.00 0.00 N ATOM 432 CA ASN A 27 104.189 -4.624 -0.685 1.00 0.00 C ATOM 433 C ASN A 27 105.391 -4.872 -1.600 1.00 0.00 C ATOM 434 O ASN A 27 105.293 -4.774 -2.807 1.00 0.00 O ATOM 435 CB ASN A 27 103.381 -5.910 -0.503 1.00 0.00 C ATOM 436 CG ASN A 27 104.054 -6.801 0.544 1.00 0.00 C ATOM 437 OD1 ASN A 27 105.264 -6.823 0.656 1.00 0.00 O ATOM 438 ND2 ASN A 27 103.314 -7.543 1.322 1.00 0.00 N ATOM 0 H ASN A 27 103.085 -3.768 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 27 104.591 -4.251 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.364 -5.671 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.306 -6.441 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 27 103.751 -8.141 2.023 1.00 0.00 H new ATOM 0 HD22 ASN A 27 102.298 -7.525 1.229 1.00 0.00 H new ATOM 445 N PHE A 28 106.522 -5.192 -1.020 1.00 0.00 N ATOM 446 CA PHE A 28 107.720 -5.569 -1.831 1.00 0.00 C ATOM 447 C PHE A 28 108.575 -6.573 -1.054 1.00 0.00 C ATOM 448 O PHE A 28 108.818 -6.408 0.127 1.00 0.00 O ATOM 449 CB PHE A 28 108.483 -4.264 -2.049 1.00 0.00 C ATOM 450 CG PHE A 28 109.633 -4.394 -3.019 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.376 -4.581 -4.399 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.968 -4.328 -2.548 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.456 -4.702 -5.309 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.046 -4.449 -3.459 1.00 0.00 C ATOM 455 CZ PHE A 28 111.789 -4.636 -4.839 1.00 0.00 C ATOM 0 H PHE A 28 106.667 -5.208 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 28 107.452 -6.039 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.792 -3.505 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.864 -3.911 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.359 -4.631 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.163 -4.186 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.261 -4.845 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.064 -4.399 -3.101 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.611 -4.728 -5.533 1.00 0.00 H new ATOM 465 N ASP A 29 109.029 -7.608 -1.713 1.00 0.00 N ATOM 466 CA ASP A 29 109.827 -8.664 -1.017 1.00 0.00 C ATOM 467 C ASP A 29 111.198 -8.807 -1.680 1.00 0.00 C ATOM 468 O ASP A 29 111.296 -9.135 -2.847 1.00 0.00 O ATOM 469 CB ASP A 29 109.013 -9.949 -1.182 1.00 0.00 C ATOM 470 CG ASP A 29 109.619 -11.056 -0.318 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.952 -10.778 0.822 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.737 -12.166 -0.811 1.00 0.00 O ATOM 0 H ASP A 29 108.881 -7.769 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 29 110.003 -8.427 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 107.977 -9.774 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.005 -10.254 -2.228 1.00 0.00 H new ATOM 477 N SER A 30 112.253 -8.562 -0.940 1.00 0.00 N ATOM 478 CA SER A 30 113.630 -8.669 -1.522 1.00 0.00 C ATOM 479 C SER A 30 113.964 -10.127 -1.861 1.00 0.00 C ATOM 480 O SER A 30 114.713 -10.398 -2.781 1.00 0.00 O ATOM 481 CB SER A 30 114.573 -8.147 -0.436 1.00 0.00 C ATOM 482 OG SER A 30 114.162 -6.843 -0.045 1.00 0.00 O ATOM 0 H SER A 30 112.220 -8.292 0.043 1.00 0.00 H new ATOM 0 HA SER A 30 113.719 -8.101 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.563 -8.817 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.597 -8.122 -0.809 1.00 0.00 H new ATOM 0 HG SER A 30 114.763 -6.506 0.652 1.00 0.00 H new ATOM 488 N SER A 31 113.412 -11.065 -1.125 1.00 0.00 N ATOM 489 CA SER A 31 113.770 -12.510 -1.336 1.00 0.00 C ATOM 490 C SER A 31 113.404 -12.961 -2.756 1.00 0.00 C ATOM 491 O SER A 31 114.214 -13.546 -3.453 1.00 0.00 O ATOM 492 CB SER A 31 112.949 -13.286 -0.305 1.00 0.00 C ATOM 493 OG SER A 31 113.216 -12.770 0.992 1.00 0.00 O ATOM 0 H SER A 31 112.729 -10.894 -0.387 1.00 0.00 H new ATOM 0 HA SER A 31 114.840 -12.679 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.886 -13.201 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.200 -14.346 -0.346 1.00 0.00 H new ATOM 0 HG SER A 31 112.690 -13.264 1.655 1.00 0.00 H new ATOM 499 N ASN A 32 112.194 -12.695 -3.186 1.00 0.00 N ATOM 500 CA ASN A 32 111.767 -13.115 -4.559 1.00 0.00 C ATOM 501 C ASN A 32 111.266 -11.914 -5.379 1.00 0.00 C ATOM 502 O ASN A 32 110.619 -12.090 -6.393 1.00 0.00 O ATOM 503 CB ASN A 32 110.631 -14.111 -4.326 1.00 0.00 C ATOM 504 CG ASN A 32 110.366 -14.894 -5.614 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.136 -15.092 -6.002 1.00 0.00 O flip ATOM 506 ND2 ASN A 32 111.289 -15.329 -6.275 1.00 0.00 N flip ATOM 0 H ASN A 32 111.482 -12.204 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 32 112.593 -13.547 -5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.893 -14.795 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.729 -13.584 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.251 -15.174 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 32 111.102 -15.849 -7.133 1.00 0.00 H new ATOM 513 N SER A 33 111.560 -10.701 -4.946 1.00 0.00 N ATOM 514 CA SER A 33 111.109 -9.467 -5.684 1.00 0.00 C ATOM 515 C SER A 33 109.621 -9.552 -6.079 1.00 0.00 C ATOM 516 O SER A 33 109.278 -9.627 -7.246 1.00 0.00 O ATOM 517 CB SER A 33 112.015 -9.384 -6.920 1.00 0.00 C ATOM 518 OG SER A 33 111.604 -10.342 -7.887 1.00 0.00 O ATOM 0 H SER A 33 112.100 -10.513 -4.102 1.00 0.00 H new ATOM 0 HA SER A 33 111.191 -8.575 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.971 -8.382 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.051 -9.564 -6.635 1.00 0.00 H new ATOM 0 HG SER A 33 110.871 -10.881 -7.523 1.00 0.00 H new ATOM 524 N ILE A 34 108.742 -9.539 -5.105 1.00 0.00 N ATOM 525 CA ILE A 34 107.277 -9.640 -5.403 1.00 0.00 C ATOM 526 C ILE A 34 106.577 -8.338 -4.991 1.00 0.00 C ATOM 527 O ILE A 34 106.754 -7.854 -3.889 1.00 0.00 O ATOM 528 CB ILE A 34 106.762 -10.825 -4.564 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.584 -12.101 -4.863 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.283 -11.079 -4.879 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.453 -12.521 -6.339 1.00 0.00 C ATOM 0 H ILE A 34 108.976 -9.463 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 34 107.081 -9.794 -6.464 1.00 0.00 H new ATOM 0 HB ILE A 34 106.873 -10.577 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.633 -11.924 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.244 -12.913 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.923 -11.918 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.702 -10.188 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.171 -11.312 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.043 -13.421 -6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.407 -12.722 -6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.817 -11.718 -6.980 1.00 0.00 H new ATOM 543 N LEU A 35 105.786 -7.777 -5.873 1.00 0.00 N ATOM 544 CA LEU A 35 105.168 -6.442 -5.603 1.00 0.00 C ATOM 545 C LEU A 35 103.642 -6.540 -5.665 1.00 0.00 C ATOM 546 O LEU A 35 103.082 -6.995 -6.646 1.00 0.00 O ATOM 547 CB LEU A 35 105.697 -5.544 -6.722 1.00 0.00 C ATOM 548 CG LEU A 35 105.256 -4.096 -6.486 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.242 -3.406 -5.540 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.227 -3.351 -7.823 1.00 0.00 C ATOM 0 H LEU A 35 105.541 -8.189 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 35 105.415 -6.058 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.785 -5.600 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.326 -5.893 -7.686 1.00 0.00 H new ATOM 0 HG LEU A 35 104.261 -4.088 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.926 -2.376 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.265 -3.937 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.238 -3.413 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.913 -2.320 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.223 -3.361 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.524 -3.841 -8.497 1.00 0.00 H new ATOM 562 N GLN A 36 102.974 -6.115 -4.624 1.00 0.00 N ATOM 563 CA GLN A 36 101.484 -6.051 -4.659 1.00 0.00 C ATOM 564 C GLN A 36 101.035 -4.633 -5.008 1.00 0.00 C ATOM 565 O GLN A 36 101.449 -3.673 -4.382 1.00 0.00 O ATOM 566 CB GLN A 36 101.032 -6.427 -3.246 1.00 0.00 C ATOM 567 CG GLN A 36 101.276 -7.919 -3.011 1.00 0.00 C ATOM 568 CD GLN A 36 100.885 -8.285 -1.577 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.064 -7.501 -0.665 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.353 -9.451 -1.337 1.00 0.00 N ATOM 0 H GLN A 36 103.399 -5.809 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 36 101.057 -6.718 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.578 -5.838 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.974 -6.196 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.694 -8.509 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.325 -8.158 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.202 -10.110 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.088 -9.704 -0.385 1.00 0.00 H new ATOM 579 N LEU A 37 100.194 -4.497 -6.005 1.00 0.00 N ATOM 580 CA LEU A 37 99.682 -3.147 -6.385 1.00 0.00 C ATOM 581 C LEU A 37 98.195 -3.039 -6.046 1.00 0.00 C ATOM 582 O LEU A 37 97.380 -3.794 -6.544 1.00 0.00 O ATOM 583 CB LEU A 37 99.891 -3.046 -7.899 1.00 0.00 C ATOM 584 CG LEU A 37 101.387 -3.037 -8.217 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.593 -3.337 -9.703 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.971 -1.658 -7.894 1.00 0.00 C ATOM 0 H LEU A 37 99.840 -5.267 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 37 100.196 -2.347 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.409 -3.886 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.424 -2.138 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 37 101.889 -3.796 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.659 -3.331 -9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.177 -4.317 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.090 -2.577 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 37 103.037 -1.652 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.468 -0.900 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.824 -1.439 -6.836 1.00 0.00 H new ATOM 598 N ARG A 38 97.840 -2.105 -5.200 1.00 0.00 N ATOM 599 CA ARG A 38 96.399 -1.913 -4.845 1.00 0.00 C ATOM 600 C ARG A 38 95.825 -0.720 -5.617 1.00 0.00 C ATOM 601 O ARG A 38 96.301 0.392 -5.493 1.00 0.00 O ATOM 602 CB ARG A 38 96.393 -1.637 -3.341 1.00 0.00 C ATOM 603 CG ARG A 38 94.952 -1.633 -2.826 1.00 0.00 C ATOM 604 CD ARG A 38 94.944 -1.317 -1.329 1.00 0.00 C ATOM 605 NE ARG A 38 93.513 -1.451 -0.910 1.00 0.00 N ATOM 606 CZ ARG A 38 92.619 -0.521 -1.191 1.00 0.00 C ATOM 607 NH1 ARG A 38 92.939 0.564 -1.861 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.386 -0.683 -0.796 1.00 0.00 N ATOM 0 H ARG A 38 98.487 -1.465 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 38 95.789 -2.780 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.974 -2.397 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.866 -0.677 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.363 -0.892 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.488 -2.603 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.583 -2.007 -0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.319 -0.312 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 38 93.221 -2.282 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 38 93.899 0.703 -2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.228 1.266 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.123 -1.520 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.685 0.028 -1.006 1.00 0.00 H new ATOM 622 N LEU A 39 94.808 -0.949 -6.408 1.00 0.00 N ATOM 623 CA LEU A 39 94.286 0.131 -7.301 1.00 0.00 C ATOM 624 C LEU A 39 93.006 0.745 -6.714 1.00 0.00 C ATOM 625 O LEU A 39 92.286 0.111 -5.962 1.00 0.00 O ATOM 626 CB LEU A 39 94.013 -0.576 -8.637 1.00 0.00 C ATOM 627 CG LEU A 39 93.463 0.405 -9.687 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.477 1.519 -9.974 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.200 -0.362 -10.980 1.00 0.00 C ATOM 0 H LEU A 39 94.315 -1.839 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 39 94.986 0.959 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.933 -1.029 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.299 -1.385 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 39 92.546 0.853 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.067 2.201 -10.719 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.685 2.068 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.401 1.081 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.809 0.320 -11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.130 -0.804 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.472 -1.151 -10.793 1.00 0.00 H new ATOM 641 N ALA A 40 92.725 1.981 -7.067 1.00 0.00 N ATOM 642 CA ALA A 40 91.613 2.740 -6.402 1.00 0.00 C ATOM 643 C ALA A 40 90.228 2.184 -6.774 1.00 0.00 C ATOM 644 O ALA A 40 89.218 2.687 -6.314 1.00 0.00 O ATOM 645 CB ALA A 40 91.754 4.180 -6.903 1.00 0.00 C ATOM 0 H ALA A 40 93.222 2.499 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 40 91.686 2.661 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.973 4.798 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.731 4.570 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.658 4.199 -7.989 1.00 0.00 H new ATOM 651 N ASN A 41 90.160 1.160 -7.597 1.00 0.00 N ATOM 652 CA ASN A 41 88.847 0.490 -7.863 1.00 0.00 C ATOM 653 C ASN A 41 88.583 -0.621 -6.831 1.00 0.00 C ATOM 654 O ASN A 41 87.874 -1.569 -7.112 1.00 0.00 O ATOM 655 CB ASN A 41 88.984 -0.114 -9.265 1.00 0.00 C ATOM 656 CG ASN A 41 89.116 1.007 -10.300 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.507 2.050 -10.165 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.891 0.834 -11.335 1.00 0.00 N ATOM 0 H ASN A 41 90.957 0.762 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 41 88.015 1.190 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.857 -0.765 -9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.115 -0.731 -9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.986 1.574 -12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.402 -0.041 -11.449 1.00 0.00 H new ATOM 665 N ASP A 42 89.145 -0.517 -5.634 1.00 0.00 N ATOM 666 CA ASP A 42 88.920 -1.561 -4.574 1.00 0.00 C ATOM 667 C ASP A 42 89.445 -2.925 -5.044 1.00 0.00 C ATOM 668 O ASP A 42 88.954 -3.957 -4.626 1.00 0.00 O ATOM 669 CB ASP A 42 87.401 -1.618 -4.351 1.00 0.00 C ATOM 670 CG ASP A 42 87.108 -2.147 -2.944 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.757 -3.098 -2.542 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.239 -1.590 -2.294 1.00 0.00 O ATOM 0 H ASP A 42 89.752 0.252 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 42 89.449 -1.314 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.968 -0.626 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.938 -2.264 -5.097 1.00 0.00 H new ATOM 677 N SER A 43 90.438 -2.937 -5.911 1.00 0.00 N ATOM 678 CA SER A 43 91.008 -4.236 -6.383 1.00 0.00 C ATOM 679 C SER A 43 92.505 -4.300 -6.070 1.00 0.00 C ATOM 680 O SER A 43 93.216 -3.323 -6.205 1.00 0.00 O ATOM 681 CB SER A 43 90.775 -4.245 -7.894 1.00 0.00 C ATOM 682 OG SER A 43 89.378 -4.201 -8.154 1.00 0.00 O ATOM 0 H SER A 43 90.873 -2.104 -6.307 1.00 0.00 H new ATOM 0 HA SER A 43 90.544 -5.093 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.269 -3.390 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.211 -5.141 -8.335 1.00 0.00 H new ATOM 0 HG SER A 43 89.225 -4.205 -9.122 1.00 0.00 H new ATOM 688 N THR A 44 92.981 -5.448 -5.651 1.00 0.00 N ATOM 689 CA THR A 44 94.438 -5.602 -5.348 1.00 0.00 C ATOM 690 C THR A 44 94.997 -6.834 -6.069 1.00 0.00 C ATOM 691 O THR A 44 94.319 -7.835 -6.214 1.00 0.00 O ATOM 692 CB THR A 44 94.524 -5.766 -3.821 1.00 0.00 C ATOM 693 OG1 THR A 44 95.885 -5.918 -3.444 1.00 0.00 O ATOM 694 CG2 THR A 44 93.726 -6.995 -3.364 1.00 0.00 C ATOM 0 H THR A 44 92.420 -6.288 -5.506 1.00 0.00 H new ATOM 0 HA THR A 44 95.024 -4.747 -5.687 1.00 0.00 H new ATOM 0 HB THR A 44 94.101 -4.881 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.945 -6.021 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.799 -7.094 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.680 -6.876 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.131 -7.889 -3.838 1.00 0.00 H new ATOM 702 N LYS A 45 96.225 -6.764 -6.519 1.00 0.00 N ATOM 703 CA LYS A 45 96.818 -7.909 -7.274 1.00 0.00 C ATOM 704 C LYS A 45 98.304 -8.058 -6.937 1.00 0.00 C ATOM 705 O LYS A 45 99.033 -7.084 -6.870 1.00 0.00 O ATOM 706 CB LYS A 45 96.636 -7.545 -8.748 1.00 0.00 C ATOM 707 CG LYS A 45 96.978 -8.755 -9.620 1.00 0.00 C ATOM 708 CD LYS A 45 96.815 -8.383 -11.095 1.00 0.00 C ATOM 709 CE LYS A 45 96.909 -9.646 -11.954 1.00 0.00 C ATOM 710 NZ LYS A 45 98.364 -9.946 -12.041 1.00 0.00 N ATOM 0 H LYS A 45 96.843 -5.962 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 45 96.342 -8.858 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.609 -7.230 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.278 -6.703 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 98.001 -9.079 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.326 -9.592 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.854 -7.893 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.587 -7.672 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.362 -10.473 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.480 -9.484 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 98.518 -10.727 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 98.873 -9.102 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 98.719 -10.219 -11.102 1.00 0.00 H new ATOM 724 N SER A 46 98.754 -9.270 -6.725 1.00 0.00 N ATOM 725 CA SER A 46 100.203 -9.503 -6.443 1.00 0.00 C ATOM 726 C SER A 46 100.927 -9.903 -7.732 1.00 0.00 C ATOM 727 O SER A 46 100.595 -10.893 -8.355 1.00 0.00 O ATOM 728 CB SER A 46 100.234 -10.648 -5.432 1.00 0.00 C ATOM 729 OG SER A 46 99.773 -11.839 -6.055 1.00 0.00 O ATOM 0 H SER A 46 98.177 -10.111 -6.735 1.00 0.00 H new ATOM 0 HA SER A 46 100.700 -8.612 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.248 -10.789 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.607 -10.407 -4.574 1.00 0.00 H new ATOM 0 HG SER A 46 99.832 -11.743 -7.028 1.00 0.00 H new ATOM 735 N ILE A 47 101.914 -9.136 -8.131 1.00 0.00 N ATOM 736 CA ILE A 47 102.651 -9.446 -9.395 1.00 0.00 C ATOM 737 C ILE A 47 104.155 -9.485 -9.112 1.00 0.00 C ATOM 738 O ILE A 47 104.701 -8.575 -8.513 1.00 0.00 O ATOM 739 CB ILE A 47 102.304 -8.302 -10.363 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.787 -8.256 -10.596 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.006 -8.527 -11.707 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.415 -6.954 -11.307 1.00 0.00 C ATOM 0 H ILE A 47 102.241 -8.307 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 47 102.375 -10.414 -9.814 1.00 0.00 H new ATOM 0 HB ILE A 47 102.637 -7.361 -9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.475 -9.111 -11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.261 -8.325 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.756 -7.714 -12.388 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.085 -8.554 -11.554 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.676 -9.473 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.338 -6.924 -11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.712 -6.105 -10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.930 -6.903 -12.266 1.00 0.00 H new ATOM 754 N VAL A 48 104.824 -10.527 -9.536 1.00 0.00 N ATOM 755 CA VAL A 48 106.302 -10.610 -9.316 1.00 0.00 C ATOM 756 C VAL A 48 107.007 -9.619 -10.246 1.00 0.00 C ATOM 757 O VAL A 48 106.683 -9.516 -11.412 1.00 0.00 O ATOM 758 CB VAL A 48 106.710 -12.057 -9.648 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.190 -12.269 -9.300 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.842 -13.053 -8.855 1.00 0.00 C ATOM 0 H VAL A 48 104.413 -11.323 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 48 106.579 -10.360 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 48 106.559 -12.230 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.476 -13.294 -9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.803 -11.579 -9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.344 -12.085 -8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.142 -14.072 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.976 -12.882 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.794 -12.910 -9.117 1.00 0.00 H new ATOM 770 N THR A 49 107.968 -8.893 -9.736 1.00 0.00 N ATOM 771 CA THR A 49 108.594 -7.791 -10.538 1.00 0.00 C ATOM 772 C THR A 49 109.343 -8.345 -11.756 1.00 0.00 C ATOM 773 O THR A 49 109.528 -7.651 -12.740 1.00 0.00 O ATOM 774 CB THR A 49 109.565 -7.082 -9.587 1.00 0.00 C ATOM 775 OG1 THR A 49 110.509 -8.020 -9.091 1.00 0.00 O ATOM 776 CG2 THR A 49 108.791 -6.464 -8.419 1.00 0.00 C ATOM 0 H THR A 49 108.349 -9.013 -8.798 1.00 0.00 H new ATOM 0 HA THR A 49 107.837 -7.110 -10.926 1.00 0.00 H new ATOM 0 HB THR A 49 110.086 -6.291 -10.127 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.091 -8.568 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.487 -5.962 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.070 -5.741 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.264 -7.249 -7.876 1.00 0.00 H new ATOM 784 N LYS A 50 109.776 -9.582 -11.705 1.00 0.00 N ATOM 785 CA LYS A 50 110.594 -10.146 -12.831 1.00 0.00 C ATOM 786 C LYS A 50 109.822 -10.080 -14.154 1.00 0.00 C ATOM 787 O LYS A 50 110.412 -10.027 -15.218 1.00 0.00 O ATOM 788 CB LYS A 50 110.879 -11.603 -12.441 1.00 0.00 C ATOM 789 CG LYS A 50 111.856 -12.235 -13.440 1.00 0.00 C ATOM 790 CD LYS A 50 111.862 -13.753 -13.254 1.00 0.00 C ATOM 791 CE LYS A 50 112.952 -14.371 -14.134 1.00 0.00 C ATOM 792 NZ LYS A 50 114.212 -14.203 -13.358 1.00 0.00 N ATOM 0 H LYS A 50 109.600 -10.227 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 50 111.514 -9.580 -12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.298 -11.643 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.949 -12.171 -12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.564 -11.984 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.858 -11.835 -13.288 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.040 -14.001 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.889 -14.166 -13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.749 -15.423 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.013 -13.868 -15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.973 -13.892 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 114.069 -13.490 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.475 -15.110 -12.922 1.00 0.00 H new ATOM 806 N ASP A 51 108.512 -10.081 -14.097 1.00 0.00 N ATOM 807 CA ASP A 51 107.709 -9.931 -15.353 1.00 0.00 C ATOM 808 C ASP A 51 107.447 -8.448 -15.676 1.00 0.00 C ATOM 809 O ASP A 51 106.631 -8.137 -16.523 1.00 0.00 O ATOM 810 CB ASP A 51 106.393 -10.692 -15.111 1.00 0.00 C ATOM 811 CG ASP A 51 105.634 -10.118 -13.908 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.406 -8.920 -13.884 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.288 -10.893 -13.031 1.00 0.00 O ATOM 0 H ASP A 51 107.966 -10.179 -13.241 1.00 0.00 H new ATOM 0 HA ASP A 51 108.244 -10.334 -16.213 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.767 -10.633 -16.001 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.606 -11.747 -14.940 1.00 0.00 H new ATOM 818 N ILE A 52 108.126 -7.531 -15.013 1.00 0.00 N ATOM 819 CA ILE A 52 108.019 -6.087 -15.411 1.00 0.00 C ATOM 820 C ILE A 52 108.875 -5.830 -16.655 1.00 0.00 C ATOM 821 O ILE A 52 110.090 -5.905 -16.605 1.00 0.00 O ATOM 822 CB ILE A 52 108.551 -5.282 -14.210 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.635 -5.507 -12.995 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.596 -3.779 -14.555 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.234 -4.824 -11.760 1.00 0.00 C ATOM 0 H ILE A 52 108.742 -7.720 -14.223 1.00 0.00 H new ATOM 0 HA ILE A 52 106.995 -5.802 -15.655 1.00 0.00 H new ATOM 0 HB ILE A 52 109.560 -5.620 -13.974 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.642 -5.106 -13.198 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.517 -6.575 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.974 -3.220 -13.699 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.254 -3.621 -15.410 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.592 -3.432 -14.801 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.581 -4.986 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.218 -5.245 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.329 -3.754 -11.946 1.00 0.00 H new ATOM 837 N LYS A 53 108.250 -5.528 -17.767 1.00 0.00 N ATOM 838 CA LYS A 53 109.030 -5.104 -18.972 1.00 0.00 C ATOM 839 C LYS A 53 109.326 -3.602 -18.919 1.00 0.00 C ATOM 840 O LYS A 53 110.378 -3.160 -19.342 1.00 0.00 O ATOM 841 CB LYS A 53 108.144 -5.425 -20.174 1.00 0.00 C ATOM 842 CG LYS A 53 108.966 -5.303 -21.459 1.00 0.00 C ATOM 843 CD LYS A 53 109.838 -6.549 -21.635 1.00 0.00 C ATOM 844 CE LYS A 53 110.984 -6.237 -22.600 1.00 0.00 C ATOM 845 NZ LYS A 53 110.356 -6.215 -23.949 1.00 0.00 N ATOM 0 H LYS A 53 107.238 -5.556 -17.892 1.00 0.00 H new ATOM 0 HA LYS A 53 109.989 -5.619 -19.028 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.739 -6.433 -20.082 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.295 -4.742 -20.206 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.303 -5.187 -22.316 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.592 -4.412 -21.418 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.236 -6.867 -20.671 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.239 -7.374 -22.020 1.00 0.00 H new ATOM 0 HE2 LYS A 53 111.448 -5.279 -22.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 111.767 -6.993 -22.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 110.960 -6.730 -24.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 109.422 -6.669 -23.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 110.247 -5.230 -24.265 1.00 0.00 H new ATOM 859 N ASP A 54 108.409 -2.818 -18.402 1.00 0.00 N ATOM 860 CA ASP A 54 108.613 -1.328 -18.395 1.00 0.00 C ATOM 861 C ASP A 54 107.862 -0.679 -17.231 1.00 0.00 C ATOM 862 O ASP A 54 106.801 -1.128 -16.842 1.00 0.00 O ATOM 863 CB ASP A 54 108.047 -0.829 -19.726 1.00 0.00 C ATOM 864 CG ASP A 54 108.952 -1.276 -20.875 1.00 0.00 C ATOM 865 OD1 ASP A 54 108.718 -2.349 -21.402 1.00 0.00 O ATOM 866 OD2 ASP A 54 109.863 -0.536 -21.207 1.00 0.00 O ATOM 0 H ASP A 54 107.534 -3.139 -17.987 1.00 0.00 H new ATOM 0 HA ASP A 54 109.666 -1.074 -18.275 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.040 -1.219 -19.872 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.970 0.258 -19.714 1.00 0.00 H new ATOM 871 N LEU A 55 108.407 0.382 -16.678 1.00 0.00 N ATOM 872 CA LEU A 55 107.770 1.035 -15.493 1.00 0.00 C ATOM 873 C LEU A 55 107.596 2.541 -15.727 1.00 0.00 C ATOM 874 O LEU A 55 108.425 3.179 -16.350 1.00 0.00 O ATOM 875 CB LEU A 55 108.746 0.802 -14.337 1.00 0.00 C ATOM 876 CG LEU A 55 108.651 -0.649 -13.863 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.977 -1.067 -13.223 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.528 -0.776 -12.830 1.00 0.00 C ATOM 0 H LEU A 55 109.269 0.823 -17.000 1.00 0.00 H new ATOM 0 HA LEU A 55 106.779 0.625 -15.295 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.764 1.023 -14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.517 1.479 -13.514 1.00 0.00 H new ATOM 0 HG LEU A 55 108.439 -1.294 -14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.908 -2.101 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.779 -0.977 -13.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.190 -0.421 -12.371 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.460 -1.810 -12.492 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.742 -0.129 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.582 -0.479 -13.283 1.00 0.00 H new ATOM 890 N ARG A 56 106.522 3.105 -15.230 1.00 0.00 N ATOM 891 CA ARG A 56 106.364 4.592 -15.250 1.00 0.00 C ATOM 892 C ARG A 56 105.572 5.050 -14.016 1.00 0.00 C ATOM 893 O ARG A 56 104.860 4.272 -13.408 1.00 0.00 O ATOM 894 CB ARG A 56 105.603 4.901 -16.553 1.00 0.00 C ATOM 895 CG ARG A 56 104.155 4.388 -16.473 1.00 0.00 C ATOM 896 CD ARG A 56 103.690 3.909 -17.852 1.00 0.00 C ATOM 897 NE ARG A 56 103.696 5.128 -18.724 1.00 0.00 N ATOM 898 CZ ARG A 56 103.671 5.033 -20.041 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.635 3.868 -20.647 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.680 6.122 -20.758 1.00 0.00 N ATOM 0 H ARG A 56 105.745 2.596 -14.809 1.00 0.00 H new ATOM 0 HA ARG A 56 107.319 5.116 -15.219 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.604 5.976 -16.734 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.113 4.436 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.089 3.571 -15.754 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.499 5.181 -16.115 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.357 3.142 -18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.694 3.469 -17.799 1.00 0.00 H new ATOM 0 HE ARG A 56 103.720 6.051 -18.291 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.626 3.008 -20.099 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.616 3.823 -21.666 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.706 7.033 -20.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.661 6.062 -21.776 1.00 0.00 H new ATOM 914 N ILE A 57 105.694 6.300 -13.647 1.00 0.00 N ATOM 915 CA ILE A 57 104.885 6.835 -12.506 1.00 0.00 C ATOM 916 C ILE A 57 103.887 7.871 -13.034 1.00 0.00 C ATOM 917 O ILE A 57 104.252 8.778 -13.761 1.00 0.00 O ATOM 918 CB ILE A 57 105.897 7.483 -11.545 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.922 6.437 -11.080 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.158 8.037 -10.321 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.116 7.136 -10.421 1.00 0.00 C ATOM 0 H ILE A 57 106.319 6.975 -14.086 1.00 0.00 H new ATOM 0 HA ILE A 57 104.311 6.058 -12.000 1.00 0.00 H new ATOM 0 HB ILE A 57 106.412 8.291 -12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.458 5.748 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.260 5.843 -11.929 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.875 8.496 -9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.432 8.784 -10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.641 7.225 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.839 6.389 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.587 7.807 -11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.772 7.710 -9.561 1.00 0.00 H new ATOM 933 N LEU A 58 102.632 7.742 -12.674 1.00 0.00 N ATOM 934 CA LEU A 58 101.590 8.660 -13.233 1.00 0.00 C ATOM 935 C LEU A 58 101.521 9.950 -12.397 1.00 0.00 C ATOM 936 O LEU A 58 101.613 9.890 -11.185 1.00 0.00 O ATOM 937 CB LEU A 58 100.265 7.889 -13.141 1.00 0.00 C ATOM 938 CG LEU A 58 100.347 6.597 -13.962 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.117 5.733 -13.678 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.396 6.931 -15.455 1.00 0.00 C ATOM 0 H LEU A 58 102.285 7.042 -12.018 1.00 0.00 H new ATOM 0 HA LEU A 58 101.812 8.951 -14.260 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.044 7.654 -12.100 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.448 8.510 -13.508 1.00 0.00 H new ATOM 0 HG LEU A 58 101.250 6.054 -13.684 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.175 4.814 -14.262 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.082 5.487 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.216 6.281 -13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.454 6.008 -16.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.496 7.478 -15.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.273 7.545 -15.662 1.00 0.00 H new ATOM 952 N PRO A 59 101.362 11.083 -13.062 1.00 0.00 N ATOM 953 CA PRO A 59 101.320 12.382 -12.337 1.00 0.00 C ATOM 954 C PRO A 59 100.035 12.487 -11.506 1.00 0.00 C ATOM 955 O PRO A 59 100.029 13.057 -10.430 1.00 0.00 O ATOM 956 CB PRO A 59 101.335 13.429 -13.450 1.00 0.00 C ATOM 957 CG PRO A 59 100.843 12.718 -14.669 1.00 0.00 C ATOM 958 CD PRO A 59 101.209 11.266 -14.515 1.00 0.00 C ATOM 0 HA PRO A 59 102.148 12.506 -11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 59 100.694 14.275 -13.203 1.00 0.00 H new ATOM 0 HB3 PRO A 59 102.339 13.825 -13.604 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.764 12.834 -14.773 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.297 13.136 -15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.433 10.615 -14.919 1.00 0.00 H new ATOM 0 HD3 PRO A 59 102.131 11.030 -15.045 1.00 0.00 H new ATOM 966 N LYS A 60 98.946 11.938 -12.002 1.00 0.00 N ATOM 967 CA LYS A 60 97.632 12.011 -11.273 1.00 0.00 C ATOM 968 C LYS A 60 97.287 13.463 -10.912 1.00 0.00 C ATOM 969 O LYS A 60 96.653 13.728 -9.907 1.00 0.00 O ATOM 970 CB LYS A 60 97.817 11.169 -10.005 1.00 0.00 C ATOM 971 CG LYS A 60 96.448 10.788 -9.436 1.00 0.00 C ATOM 972 CD LYS A 60 96.636 9.999 -8.138 1.00 0.00 C ATOM 973 CE LYS A 60 95.281 9.475 -7.658 1.00 0.00 C ATOM 974 NZ LYS A 60 95.607 8.493 -6.587 1.00 0.00 N ATOM 0 H LYS A 60 98.911 11.437 -12.890 1.00 0.00 H new ATOM 0 HA LYS A 60 96.812 11.640 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 60 98.390 10.270 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 60 98.387 11.730 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 60 95.859 11.685 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 60 95.895 10.190 -10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 60 97.322 9.168 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 60 97.083 10.636 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 60 94.658 10.283 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 60 94.729 9.004 -8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 94.727 8.089 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 96.196 7.732 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 96.126 8.972 -5.823 1.00 0.00 H new ATOM 988 N ASN A 61 97.706 14.402 -11.728 1.00 0.00 N ATOM 989 CA ASN A 61 97.420 15.842 -11.443 1.00 0.00 C ATOM 990 C ASN A 61 96.664 16.475 -12.614 1.00 0.00 C ATOM 991 O ASN A 61 97.163 16.537 -13.723 1.00 0.00 O ATOM 992 CB ASN A 61 98.795 16.491 -11.278 1.00 0.00 C ATOM 993 CG ASN A 61 98.629 17.922 -10.763 1.00 0.00 C ATOM 994 OD1 ASN A 61 98.787 18.869 -11.506 1.00 0.00 O ATOM 995 ND2 ASN A 61 98.317 18.119 -9.511 1.00 0.00 N ATOM 0 H ASN A 61 98.236 14.230 -12.582 1.00 0.00 H new ATOM 0 HA ASN A 61 96.797 15.973 -10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 61 99.401 15.911 -10.582 1.00 0.00 H new ATOM 0 HB3 ASN A 61 99.323 16.496 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 61 98.206 19.069 -9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 61 98.184 17.323 -8.887 1.00 0.00 H new ATOM 1002 N GLU A 62 95.463 16.942 -12.373 1.00 0.00 N ATOM 1003 CA GLU A 62 94.667 17.592 -13.461 1.00 0.00 C ATOM 1004 C GLU A 62 93.542 18.446 -12.861 1.00 0.00 C ATOM 1005 O GLU A 62 92.473 18.565 -13.432 1.00 0.00 O ATOM 1006 CB GLU A 62 94.095 16.435 -14.299 1.00 0.00 C ATOM 1007 CG GLU A 62 93.226 15.517 -13.426 1.00 0.00 C ATOM 1008 CD GLU A 62 92.752 14.323 -14.257 1.00 0.00 C ATOM 1009 OE1 GLU A 62 91.921 14.526 -15.128 1.00 0.00 O ATOM 1010 OE2 GLU A 62 93.226 13.227 -14.009 1.00 0.00 O ATOM 0 H GLU A 62 94.998 16.901 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 62 95.275 18.261 -14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 62 93.501 16.833 -15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 62 94.909 15.862 -14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 62 93.796 15.171 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 92.369 16.069 -13.040 1.00 0.00 H new ATOM 1017 N ILE A 63 93.780 19.037 -11.715 1.00 0.00 N ATOM 1018 CA ILE A 63 92.723 19.872 -11.055 1.00 0.00 C ATOM 1019 C ILE A 63 92.473 21.142 -11.880 1.00 0.00 C ATOM 1020 O ILE A 63 91.352 21.604 -11.996 1.00 0.00 O ATOM 1021 CB ILE A 63 93.276 20.222 -9.661 1.00 0.00 C ATOM 1022 CG1 ILE A 63 93.526 18.934 -8.864 1.00 0.00 C ATOM 1023 CG2 ILE A 63 92.263 21.088 -8.900 1.00 0.00 C ATOM 1024 CD1 ILE A 63 94.440 19.235 -7.674 1.00 0.00 C ATOM 0 H ILE A 63 94.662 18.978 -11.206 1.00 0.00 H new ATOM 0 HA ILE A 63 91.771 19.346 -10.979 1.00 0.00 H new ATOM 0 HB ILE A 63 94.211 20.770 -9.781 1.00 0.00 H new ATOM 0 HG12 ILE A 63 92.580 18.522 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 63 93.984 18.181 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 63 92.660 21.332 -7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 63 92.081 22.008 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 63 91.327 20.540 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.616 18.319 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.391 19.627 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 63 93.965 19.974 -7.028 1.00 0.00 H new ATOM 1036 N MET A 64 93.512 21.705 -12.450 1.00 0.00 N ATOM 1037 CA MET A 64 93.351 22.956 -13.253 1.00 0.00 C ATOM 1038 C MET A 64 93.676 22.688 -14.732 1.00 0.00 C ATOM 1039 O MET A 64 94.400 21.760 -15.037 1.00 0.00 O ATOM 1040 CB MET A 64 94.356 23.941 -12.655 1.00 0.00 C ATOM 1041 CG MET A 64 93.762 24.575 -11.395 1.00 0.00 C ATOM 1042 SD MET A 64 95.086 25.332 -10.420 1.00 0.00 S ATOM 1043 CE MET A 64 94.100 26.667 -9.698 1.00 0.00 C ATOM 0 H MET A 64 94.466 21.350 -12.393 1.00 0.00 H new ATOM 0 HA MET A 64 92.331 23.339 -13.218 1.00 0.00 H new ATOM 0 HB2 MET A 64 95.286 23.426 -12.412 1.00 0.00 H new ATOM 0 HB3 MET A 64 94.601 24.714 -13.383 1.00 0.00 H new ATOM 0 HG2 MET A 64 93.021 25.327 -11.668 1.00 0.00 H new ATOM 0 HG3 MET A 64 93.246 23.819 -10.803 1.00 0.00 H new ATOM 0 HE1 MET A 64 94.730 27.273 -9.047 1.00 0.00 H new ATOM 0 HE2 MET A 64 93.694 27.291 -10.494 1.00 0.00 H new ATOM 0 HE3 MET A 64 93.281 26.242 -9.118 1.00 0.00 H new ATOM 1053 N PRO A 65 93.129 23.509 -15.609 1.00 0.00 N ATOM 1054 CA PRO A 65 93.387 23.344 -17.064 1.00 0.00 C ATOM 1055 C PRO A 65 94.843 23.694 -17.390 1.00 0.00 C ATOM 1056 O PRO A 65 95.535 24.302 -16.595 1.00 0.00 O ATOM 1057 CB PRO A 65 92.428 24.336 -17.725 1.00 0.00 C ATOM 1058 CG PRO A 65 92.110 25.344 -16.668 1.00 0.00 C ATOM 1059 CD PRO A 65 92.234 24.648 -15.338 1.00 0.00 C ATOM 0 HA PRO A 65 93.232 22.322 -17.409 1.00 0.00 H new ATOM 0 HB2 PRO A 65 92.888 24.808 -18.593 1.00 0.00 H new ATOM 0 HB3 PRO A 65 91.525 23.836 -18.075 1.00 0.00 H new ATOM 0 HG2 PRO A 65 92.795 26.190 -16.725 1.00 0.00 H new ATOM 0 HG3 PRO A 65 91.103 25.739 -16.803 1.00 0.00 H new ATOM 0 HD2 PRO A 65 92.651 25.310 -14.579 1.00 0.00 H new ATOM 0 HD3 PRO A 65 91.264 24.314 -14.971 1.00 0.00 H new ATOM 1067 N LYS A 66 95.311 23.310 -18.560 1.00 0.00 N ATOM 1068 CA LYS A 66 96.722 23.625 -18.982 1.00 0.00 C ATOM 1069 C LYS A 66 97.731 23.158 -17.924 1.00 0.00 C ATOM 1070 O LYS A 66 98.019 23.865 -16.975 1.00 0.00 O ATOM 1071 CB LYS A 66 96.777 25.150 -19.142 1.00 0.00 C ATOM 1072 CG LYS A 66 95.871 25.578 -20.299 1.00 0.00 C ATOM 1073 CD LYS A 66 96.004 27.087 -20.519 1.00 0.00 C ATOM 1074 CE LYS A 66 95.011 27.538 -21.593 1.00 0.00 C ATOM 1075 NZ LYS A 66 95.710 27.304 -22.886 1.00 0.00 N ATOM 0 H LYS A 66 94.770 22.786 -19.248 1.00 0.00 H new ATOM 0 HA LYS A 66 96.983 23.111 -19.907 1.00 0.00 H new ATOM 0 HB2 LYS A 66 96.458 25.634 -18.219 1.00 0.00 H new ATOM 0 HB3 LYS A 66 97.802 25.469 -19.332 1.00 0.00 H new ATOM 0 HG2 LYS A 66 96.145 25.042 -21.207 1.00 0.00 H new ATOM 0 HG3 LYS A 66 94.835 25.322 -20.078 1.00 0.00 H new ATOM 0 HD2 LYS A 66 95.814 27.619 -19.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 97.021 27.332 -20.824 1.00 0.00 H new ATOM 0 HE2 LYS A 66 94.083 26.968 -21.537 1.00 0.00 H new ATOM 0 HE3 LYS A 66 94.748 28.589 -21.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 95.091 27.590 -23.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 96.586 27.864 -22.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 95.942 26.294 -22.978 1.00 0.00 H new ATOM 1089 N ASN A 67 98.265 21.972 -18.086 1.00 0.00 N ATOM 1090 CA ASN A 67 99.266 21.451 -17.105 1.00 0.00 C ATOM 1091 C ASN A 67 100.687 21.673 -17.632 1.00 0.00 C ATOM 1092 O ASN A 67 101.024 21.249 -18.722 1.00 0.00 O ATOM 1093 CB ASN A 67 98.967 19.955 -16.983 1.00 0.00 C ATOM 1094 CG ASN A 67 97.595 19.754 -16.334 1.00 0.00 C ATOM 1095 OD1 ASN A 67 97.214 20.495 -15.449 1.00 0.00 O ATOM 1096 ND2 ASN A 67 96.833 18.775 -16.738 1.00 0.00 N ATOM 0 H ASN A 67 98.050 21.341 -18.858 1.00 0.00 H new ATOM 0 HA ASN A 67 99.200 21.957 -16.142 1.00 0.00 H new ATOM 0 HB2 ASN A 67 98.986 19.489 -17.968 1.00 0.00 H new ATOM 0 HB3 ASN A 67 99.738 19.468 -16.385 1.00 0.00 H new ATOM 0 HD21 ASN A 67 95.918 18.632 -16.311 1.00 0.00 H new ATOM 0 HD22 ASN A 67 97.153 18.153 -17.481 1.00 0.00 H new ATOM 1103 N GLY A 68 101.518 22.333 -16.863 1.00 0.00 N ATOM 1104 CA GLY A 68 102.921 22.594 -17.307 1.00 0.00 C ATOM 1105 C GLY A 68 103.887 22.284 -16.161 1.00 0.00 C ATOM 1106 O GLY A 68 104.883 21.609 -16.348 1.00 0.00 O ATOM 0 H GLY A 68 101.283 22.704 -15.942 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.160 21.978 -18.174 1.00 0.00 H new ATOM 0 HA3 GLY A 68 103.028 23.634 -17.616 1.00 0.00 H new ATOM 1110 N THR A 69 103.597 22.773 -14.980 1.00 0.00 N ATOM 1111 CA THR A 69 104.491 22.514 -13.809 1.00 0.00 C ATOM 1112 C THR A 69 103.780 21.619 -12.790 1.00 0.00 C ATOM 1113 O THR A 69 102.595 21.762 -12.551 1.00 0.00 O ATOM 1114 CB THR A 69 104.768 23.895 -13.212 1.00 0.00 C ATOM 1115 OG1 THR A 69 105.206 24.774 -14.240 1.00 0.00 O ATOM 1116 CG2 THR A 69 105.854 23.783 -12.140 1.00 0.00 C ATOM 0 H THR A 69 102.776 23.343 -14.776 1.00 0.00 H new ATOM 0 HA THR A 69 105.410 22.001 -14.094 1.00 0.00 H new ATOM 0 HB THR A 69 103.855 24.285 -12.762 1.00 0.00 H new ATOM 0 HG1 THR A 69 105.382 25.660 -13.860 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.050 24.768 -11.716 1.00 0.00 H new ATOM 0 HG22 THR A 69 105.519 23.109 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 69 106.768 23.392 -12.587 1.00 0.00 H new ATOM 1124 N LYS A 70 104.498 20.699 -12.191 1.00 0.00 N ATOM 1125 CA LYS A 70 103.870 19.774 -11.191 1.00 0.00 C ATOM 1126 C LYS A 70 103.370 20.561 -9.973 1.00 0.00 C ATOM 1127 O LYS A 70 102.331 20.259 -9.416 1.00 0.00 O ATOM 1128 CB LYS A 70 104.981 18.802 -10.777 1.00 0.00 C ATOM 1129 CG LYS A 70 105.376 17.934 -11.974 1.00 0.00 C ATOM 1130 CD LYS A 70 106.407 16.895 -11.532 1.00 0.00 C ATOM 1131 CE LYS A 70 106.897 16.110 -12.752 1.00 0.00 C ATOM 1132 NZ LYS A 70 107.952 16.967 -13.362 1.00 0.00 N ATOM 0 H LYS A 70 105.494 20.548 -12.351 1.00 0.00 H new ATOM 0 HA LYS A 70 103.009 19.252 -11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.847 19.356 -10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 70 104.640 18.172 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 70 104.496 17.438 -12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.789 18.557 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 70 107.247 17.387 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 70 105.965 16.216 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.296 15.138 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 70 106.084 15.924 -13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 107.858 16.949 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 107.845 17.944 -13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 108.890 16.607 -13.093 1.00 0.00 H new ATOM 1146 N SER A 71 104.106 21.565 -9.562 1.00 0.00 N ATOM 1147 CA SER A 71 103.685 22.381 -8.384 1.00 0.00 C ATOM 1148 C SER A 71 104.365 23.763 -8.423 1.00 0.00 C ATOM 1149 O SER A 71 105.453 23.923 -7.903 1.00 0.00 O ATOM 1150 CB SER A 71 104.148 21.584 -7.165 1.00 0.00 C ATOM 1151 OG SER A 71 103.146 20.639 -6.814 1.00 0.00 O ATOM 0 H SER A 71 104.983 21.854 -9.995 1.00 0.00 H new ATOM 0 HA SER A 71 102.610 22.560 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 71 105.085 21.073 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 71 104.340 22.256 -6.328 1.00 0.00 H new ATOM 0 HG SER A 71 102.663 20.360 -7.620 1.00 0.00 H new ATOM 1157 N PRO A 72 103.703 24.726 -9.041 1.00 0.00 N ATOM 1158 CA PRO A 72 104.263 26.104 -9.120 1.00 0.00 C ATOM 1159 C PRO A 72 104.395 26.712 -7.717 1.00 0.00 C ATOM 1160 O PRO A 72 103.453 27.270 -7.184 1.00 0.00 O ATOM 1161 CB PRO A 72 103.240 26.881 -9.959 1.00 0.00 C ATOM 1162 CG PRO A 72 102.366 25.848 -10.598 1.00 0.00 C ATOM 1163 CD PRO A 72 102.400 24.631 -9.715 1.00 0.00 C ATOM 0 HA PRO A 72 105.261 26.128 -9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.655 27.556 -9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.736 27.493 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.346 26.218 -10.704 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.723 25.607 -11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.578 24.632 -8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 72 102.316 23.712 -10.296 1.00 0.00 H new ATOM 1171 N SER A 73 105.559 26.606 -7.123 1.00 0.00 N ATOM 1172 CA SER A 73 105.767 27.162 -5.751 1.00 0.00 C ATOM 1173 C SER A 73 106.980 28.095 -5.735 1.00 0.00 C ATOM 1174 O SER A 73 107.901 27.940 -6.517 1.00 0.00 O ATOM 1175 CB SER A 73 106.017 25.943 -4.865 1.00 0.00 C ATOM 1176 OG SER A 73 104.906 25.061 -4.954 1.00 0.00 O ATOM 0 H SER A 73 106.377 26.156 -7.533 1.00 0.00 H new ATOM 0 HA SER A 73 104.913 27.747 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 73 106.927 25.432 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 73 106.166 26.255 -3.831 1.00 0.00 H new ATOM 0 HG SER A 73 104.949 24.565 -5.798 1.00 0.00 H new ATOM 1182 N THR A 74 106.985 29.062 -4.848 1.00 0.00 N ATOM 1183 CA THR A 74 108.140 30.007 -4.763 1.00 0.00 C ATOM 1184 C THR A 74 109.014 29.663 -3.553 1.00 0.00 C ATOM 1185 O THR A 74 108.581 28.983 -2.641 1.00 0.00 O ATOM 1186 CB THR A 74 107.512 31.392 -4.595 1.00 0.00 C ATOM 1187 OG1 THR A 74 106.613 31.372 -3.495 1.00 0.00 O ATOM 1188 CG2 THR A 74 106.755 31.773 -5.870 1.00 0.00 C ATOM 0 H THR A 74 106.236 29.236 -4.178 1.00 0.00 H new ATOM 0 HA THR A 74 108.780 29.956 -5.644 1.00 0.00 H new ATOM 0 HB THR A 74 108.297 32.126 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 74 106.211 32.259 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 74 106.309 32.760 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 74 107.446 31.790 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 74 105.970 31.041 -6.059 1.00 0.00 H new ATOM 1196 N ASN A 75 110.239 30.131 -3.542 1.00 0.00 N ATOM 1197 CA ASN A 75 111.157 29.827 -2.401 1.00 0.00 C ATOM 1198 C ASN A 75 111.223 31.014 -1.434 1.00 0.00 C ATOM 1199 O ASN A 75 112.231 31.238 -0.787 1.00 0.00 O ATOM 1200 CB ASN A 75 112.524 29.585 -3.047 1.00 0.00 C ATOM 1201 CG ASN A 75 112.476 28.309 -3.892 1.00 0.00 C ATOM 1202 OD1 ASN A 75 111.836 27.345 -3.523 1.00 0.00 O ATOM 1203 ND2 ASN A 75 113.131 28.265 -5.020 1.00 0.00 N ATOM 0 H ASN A 75 110.643 30.712 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 75 110.820 28.968 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 75 112.798 30.436 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 75 113.290 29.494 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 75 113.105 27.421 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 75 113.668 29.075 -5.330 1.00 0.00 H new ATOM 1210 N SER A 76 110.159 31.774 -1.332 1.00 0.00 N ATOM 1211 CA SER A 76 110.151 32.952 -0.412 1.00 0.00 C ATOM 1212 C SER A 76 108.862 32.971 0.416 1.00 0.00 C ATOM 1213 O SER A 76 108.345 34.023 0.746 1.00 0.00 O ATOM 1214 CB SER A 76 110.219 34.171 -1.331 1.00 0.00 C ATOM 1215 OG SER A 76 111.576 34.433 -1.663 1.00 0.00 O ATOM 0 H SER A 76 109.292 31.627 -1.850 1.00 0.00 H new ATOM 0 HA SER A 76 110.979 32.929 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 76 109.639 33.991 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 76 109.779 35.038 -0.838 1.00 0.00 H new ATOM 0 HG SER A 76 111.623 35.213 -2.254 1.00 0.00 H new ATOM 1221 N THR A 77 108.343 31.814 0.751 1.00 0.00 N ATOM 1222 CA THR A 77 107.082 31.750 1.551 1.00 0.00 C ATOM 1223 C THR A 77 107.317 30.962 2.844 1.00 0.00 C ATOM 1224 O THR A 77 108.000 29.955 2.849 1.00 0.00 O ATOM 1225 CB THR A 77 106.080 31.021 0.653 1.00 0.00 C ATOM 1226 OG1 THR A 77 106.058 31.640 -0.626 1.00 0.00 O ATOM 1227 CG2 THR A 77 104.686 31.088 1.278 1.00 0.00 C ATOM 0 H THR A 77 108.741 30.908 0.503 1.00 0.00 H new ATOM 0 HA THR A 77 106.725 32.738 1.841 1.00 0.00 H new ATOM 0 HB THR A 77 106.377 29.978 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 77 106.396 31.013 -1.299 1.00 0.00 H new ATOM 0 HG21 THR A 77 103.974 30.568 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 77 104.704 30.614 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 77 104.385 32.130 1.384 1.00 0.00 H new ATOM 1235 N LYS A 78 106.753 31.418 3.937 1.00 0.00 N ATOM 1236 CA LYS A 78 106.917 30.691 5.234 1.00 0.00 C ATOM 1237 C LYS A 78 105.751 29.721 5.445 1.00 0.00 C ATOM 1238 O LYS A 78 104.605 30.062 5.220 1.00 0.00 O ATOM 1239 CB LYS A 78 106.910 31.781 6.307 1.00 0.00 C ATOM 1240 CG LYS A 78 107.328 31.179 7.650 1.00 0.00 C ATOM 1241 CD LYS A 78 107.285 32.261 8.732 1.00 0.00 C ATOM 1242 CE LYS A 78 107.897 31.719 10.025 1.00 0.00 C ATOM 1243 NZ LYS A 78 106.775 31.033 10.724 1.00 0.00 N ATOM 0 H LYS A 78 106.185 32.264 3.986 1.00 0.00 H new ATOM 0 HA LYS A 78 107.832 30.100 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 78 107.592 32.584 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 78 105.916 32.221 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 78 106.662 30.358 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 78 108.333 30.763 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 78 107.833 33.143 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 78 106.255 32.573 8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 78 108.713 31.028 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 78 108.309 32.523 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 107.095 30.708 11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 105.982 31.695 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 106.464 30.216 10.162 1.00 0.00 H new ATOM 1257 N LEU A 79 106.040 28.517 5.875 1.00 0.00 N ATOM 1258 CA LEU A 79 104.955 27.514 6.104 1.00 0.00 C ATOM 1259 C LEU A 79 104.507 27.548 7.568 1.00 0.00 C ATOM 1260 O LEU A 79 105.160 27.000 8.436 1.00 0.00 O ATOM 1261 CB LEU A 79 105.585 26.155 5.763 1.00 0.00 C ATOM 1262 CG LEU A 79 105.446 25.839 4.262 1.00 0.00 C ATOM 1263 CD1 LEU A 79 103.966 25.744 3.876 1.00 0.00 C ATOM 1264 CD2 LEU A 79 106.123 26.933 3.426 1.00 0.00 C ATOM 0 H LEU A 79 106.983 28.185 6.078 1.00 0.00 H new ATOM 0 HA LEU A 79 104.073 27.715 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 79 106.639 26.160 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 79 105.105 25.371 6.349 1.00 0.00 H new ATOM 0 HG LEU A 79 105.931 24.883 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 79 103.881 25.520 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 79 103.490 24.951 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 79 103.473 26.693 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 79 106.018 26.699 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 79 105.652 27.894 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 79 107.181 26.985 3.683 1.00 0.00 H new ATOM 1276 N LYS A 80 103.394 28.189 7.842 1.00 0.00 N ATOM 1277 CA LYS A 80 102.881 28.255 9.250 1.00 0.00 C ATOM 1278 C LYS A 80 102.487 26.857 9.739 1.00 0.00 C ATOM 1279 O LYS A 80 102.633 26.536 10.904 1.00 0.00 O ATOM 1280 CB LYS A 80 101.652 29.168 9.193 1.00 0.00 C ATOM 1281 CG LYS A 80 101.188 29.492 10.614 1.00 0.00 C ATOM 1282 CD LYS A 80 99.908 30.329 10.557 1.00 0.00 C ATOM 1283 CE LYS A 80 99.493 30.731 11.974 1.00 0.00 C ATOM 1284 NZ LYS A 80 100.271 31.967 12.268 1.00 0.00 N ATOM 0 H LYS A 80 102.818 28.670 7.151 1.00 0.00 H new ATOM 0 HA LYS A 80 103.635 28.634 9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 80 101.894 30.087 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 80 100.849 28.680 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 80 101.008 28.571 11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 80 101.967 30.037 11.147 1.00 0.00 H new ATOM 0 HD2 LYS A 80 100.070 31.219 9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 80 99.110 29.759 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 80 98.421 30.916 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 80 99.720 29.942 12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 100.473 32.016 13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 101.166 31.948 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 99.718 32.801 11.985 1.00 0.00 H new ATOM 1298 N SER A 81 101.989 26.026 8.852 1.00 0.00 N ATOM 1299 CA SER A 81 101.569 24.642 9.255 1.00 0.00 C ATOM 1300 C SER A 81 102.780 23.833 9.736 1.00 0.00 C ATOM 1301 O SER A 81 102.670 23.014 10.629 1.00 0.00 O ATOM 1302 CB SER A 81 100.977 24.014 7.992 1.00 0.00 C ATOM 1303 OG SER A 81 99.964 24.867 7.474 1.00 0.00 O ATOM 0 H SER A 81 101.855 26.246 7.865 1.00 0.00 H new ATOM 0 HA SER A 81 100.852 24.659 10.076 1.00 0.00 H new ATOM 0 HB2 SER A 81 101.758 23.863 7.247 1.00 0.00 H new ATOM 0 HB3 SER A 81 100.561 23.033 8.221 1.00 0.00 H new ATOM 0 HG SER A 81 99.584 24.468 6.664 1.00 0.00 H new ATOM 1309 N ALA A 82 103.928 24.060 9.146 1.00 0.00 N ATOM 1310 CA ALA A 82 105.156 23.305 9.558 1.00 0.00 C ATOM 1311 C ALA A 82 105.575 23.704 10.977 1.00 0.00 C ATOM 1312 O ALA A 82 106.077 22.894 11.733 1.00 0.00 O ATOM 1313 CB ALA A 82 106.238 23.702 8.551 1.00 0.00 C ATOM 0 H ALA A 82 104.069 24.736 8.396 1.00 0.00 H new ATOM 0 HA ALA A 82 104.986 22.228 9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 82 107.167 23.185 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 82 105.919 23.425 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 82 106.400 24.779 8.596 1.00 0.00 H new ATOM 1319 N GLU A 83 105.370 24.948 11.338 1.00 0.00 N ATOM 1320 CA GLU A 83 105.767 25.419 12.705 1.00 0.00 C ATOM 1321 C GLU A 83 104.905 24.738 13.775 1.00 0.00 C ATOM 1322 O GLU A 83 105.364 24.467 14.870 1.00 0.00 O ATOM 1323 CB GLU A 83 105.524 26.931 12.703 1.00 0.00 C ATOM 1324 CG GLU A 83 106.110 27.547 13.976 1.00 0.00 C ATOM 1325 CD GLU A 83 105.768 29.037 14.028 1.00 0.00 C ATOM 1326 OE1 GLU A 83 105.905 29.694 13.009 1.00 0.00 O ATOM 1327 OE2 GLU A 83 105.374 29.497 15.088 1.00 0.00 O ATOM 0 H GLU A 83 104.944 25.660 10.744 1.00 0.00 H new ATOM 0 HA GLU A 83 106.805 25.178 12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 83 105.984 27.382 11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 83 104.455 27.138 12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 83 105.710 27.041 14.855 1.00 0.00 H new ATOM 0 HG3 GLU A 83 107.191 27.411 13.994 1.00 0.00 H new ATOM 1334 N THR A 84 103.661 24.464 13.463 1.00 0.00 N ATOM 1335 CA THR A 84 102.753 23.824 14.466 1.00 0.00 C ATOM 1336 C THR A 84 102.823 22.298 14.346 1.00 0.00 C ATOM 1337 O THR A 84 102.778 21.752 13.259 1.00 0.00 O ATOM 1338 CB THR A 84 101.350 24.326 14.114 1.00 0.00 C ATOM 1339 OG1 THR A 84 101.382 25.736 13.944 1.00 0.00 O ATOM 1340 CG2 THR A 84 100.379 23.971 15.242 1.00 0.00 C ATOM 0 H THR A 84 103.235 24.656 12.556 1.00 0.00 H new ATOM 0 HA THR A 84 103.029 24.076 15.490 1.00 0.00 H new ATOM 0 HB THR A 84 101.018 23.854 13.189 1.00 0.00 H new ATOM 0 HG1 THR A 84 100.485 26.059 13.717 1.00 0.00 H new ATOM 0 HG21 THR A 84 99.381 24.329 14.989 1.00 0.00 H new ATOM 0 HG22 THR A 84 100.354 22.889 15.373 1.00 0.00 H new ATOM 0 HG23 THR A 84 100.710 24.441 16.168 1.00 0.00 H new ATOM 1348 N TYR A 85 102.935 21.612 15.458 1.00 0.00 N ATOM 1349 CA TYR A 85 103.024 20.117 15.421 1.00 0.00 C ATOM 1350 C TYR A 85 101.678 19.508 15.006 1.00 0.00 C ATOM 1351 O TYR A 85 101.628 18.472 14.370 1.00 0.00 O ATOM 1352 CB TYR A 85 103.400 19.688 16.846 1.00 0.00 C ATOM 1353 CG TYR A 85 102.387 20.087 17.897 1.00 0.00 C ATOM 1354 CD1 TYR A 85 101.222 19.306 18.089 1.00 0.00 C ATOM 1355 CD2 TYR A 85 102.607 21.240 18.691 1.00 0.00 C ATOM 1356 CE1 TYR A 85 100.275 19.677 19.075 1.00 0.00 C ATOM 1357 CE2 TYR A 85 101.659 21.611 19.676 1.00 0.00 C ATOM 1358 CZ TYR A 85 100.494 20.830 19.869 1.00 0.00 C ATOM 1359 OH TYR A 85 99.571 21.192 20.829 1.00 0.00 O ATOM 0 H TYR A 85 102.969 22.023 16.391 1.00 0.00 H new ATOM 0 HA TYR A 85 103.760 19.775 14.694 1.00 0.00 H new ATOM 0 HB2 TYR A 85 103.523 18.605 16.868 1.00 0.00 H new ATOM 0 HB3 TYR A 85 104.365 20.124 17.103 1.00 0.00 H new ATOM 0 HD1 TYR A 85 101.055 18.427 17.484 1.00 0.00 H new ATOM 0 HD2 TYR A 85 103.496 21.835 18.545 1.00 0.00 H new ATOM 0 HE1 TYR A 85 99.386 19.081 19.222 1.00 0.00 H new ATOM 0 HE2 TYR A 85 101.825 22.491 20.280 1.00 0.00 H new ATOM 0 HH TYR A 85 99.874 22.005 21.284 1.00 0.00 H new ATOM 1369 N SER A 86 100.589 20.148 15.365 1.00 0.00 N ATOM 1370 CA SER A 86 99.237 19.609 15.002 1.00 0.00 C ATOM 1371 C SER A 86 99.037 19.646 13.484 1.00 0.00 C ATOM 1372 O SER A 86 99.642 20.445 12.790 1.00 0.00 O ATOM 1373 CB SER A 86 98.230 20.531 15.694 1.00 0.00 C ATOM 1374 OG SER A 86 98.460 20.508 17.097 1.00 0.00 O ATOM 0 H SER A 86 100.578 21.020 15.894 1.00 0.00 H new ATOM 0 HA SER A 86 99.118 18.572 15.315 1.00 0.00 H new ATOM 0 HB2 SER A 86 98.329 21.548 15.314 1.00 0.00 H new ATOM 0 HB3 SER A 86 97.213 20.207 15.475 1.00 0.00 H new ATOM 0 HG SER A 86 99.245 19.954 17.291 1.00 0.00 H new ATOM 1380 N SER A 87 98.193 18.787 12.967 1.00 0.00 N ATOM 1381 CA SER A 87 97.948 18.752 11.492 1.00 0.00 C ATOM 1382 C SER A 87 96.444 18.717 11.205 1.00 0.00 C ATOM 1383 O SER A 87 95.677 18.139 11.954 1.00 0.00 O ATOM 1384 CB SER A 87 98.616 17.465 11.013 1.00 0.00 C ATOM 1385 OG SER A 87 98.495 17.373 9.600 1.00 0.00 O ATOM 0 H SER A 87 97.660 18.105 13.507 1.00 0.00 H new ATOM 0 HA SER A 87 98.346 19.631 10.985 1.00 0.00 H new ATOM 0 HB2 SER A 87 99.667 17.458 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 87 98.150 16.601 11.487 1.00 0.00 H new ATOM 0 HG SER A 87 98.311 18.261 9.229 1.00 0.00 H new ATOM 1391 N LYS A 88 96.020 19.333 10.128 1.00 0.00 N ATOM 1392 CA LYS A 88 94.563 19.350 9.787 1.00 0.00 C ATOM 1393 C LYS A 88 94.209 18.145 8.905 1.00 0.00 C ATOM 1394 O LYS A 88 93.533 17.231 9.339 1.00 0.00 O ATOM 1395 CB LYS A 88 94.341 20.663 9.032 1.00 0.00 C ATOM 1396 CG LYS A 88 94.549 21.843 9.983 1.00 0.00 C ATOM 1397 CD LYS A 88 94.220 23.149 9.257 1.00 0.00 C ATOM 1398 CE LYS A 88 94.553 24.336 10.163 1.00 0.00 C ATOM 1399 NZ LYS A 88 93.771 25.476 9.607 1.00 0.00 N ATOM 0 H LYS A 88 96.622 19.826 9.469 1.00 0.00 H new ATOM 0 HA LYS A 88 93.932 19.285 10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 88 95.033 20.733 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 88 93.333 20.690 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 88 93.913 21.733 10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 88 95.580 21.861 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 88 94.789 23.215 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 88 93.165 23.170 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 88 94.275 24.134 11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 88 95.622 24.550 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 93.947 26.328 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 94.062 25.650 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 92.757 25.246 9.632 1.00 0.00 H new ATOM 1413 N ASN A 89 94.663 18.141 7.673 1.00 0.00 N ATOM 1414 CA ASN A 89 94.356 17.000 6.755 1.00 0.00 C ATOM 1415 C ASN A 89 95.621 16.550 6.013 1.00 0.00 C ATOM 1416 O ASN A 89 95.552 16.049 4.907 1.00 0.00 O ATOM 1417 CB ASN A 89 93.327 17.551 5.767 1.00 0.00 C ATOM 1418 CG ASN A 89 92.016 17.844 6.501 1.00 0.00 C ATOM 1419 OD1 ASN A 89 91.487 18.933 6.412 1.00 0.00 O ATOM 1420 ND2 ASN A 89 91.465 16.909 7.228 1.00 0.00 N ATOM 0 H ASN A 89 95.234 18.881 7.264 1.00 0.00 H new ATOM 0 HA ASN A 89 93.982 16.131 7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 89 93.706 18.461 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 89 93.155 16.831 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 89 90.591 17.094 7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 89 91.909 15.994 7.303 1.00 0.00 H new ATOM 1427 N LYS A 90 96.774 16.726 6.617 1.00 0.00 N ATOM 1428 CA LYS A 90 98.048 16.314 5.953 1.00 0.00 C ATOM 1429 C LYS A 90 98.560 15.005 6.561 1.00 0.00 C ATOM 1430 O LYS A 90 99.044 14.134 5.860 1.00 0.00 O ATOM 1431 CB LYS A 90 99.028 17.455 6.230 1.00 0.00 C ATOM 1432 CG LYS A 90 98.576 18.711 5.483 1.00 0.00 C ATOM 1433 CD LYS A 90 99.611 19.821 5.675 1.00 0.00 C ATOM 1434 CE LYS A 90 99.094 21.116 5.045 1.00 0.00 C ATOM 1435 NZ LYS A 90 100.313 21.940 4.810 1.00 0.00 N ATOM 0 H LYS A 90 96.885 17.138 7.543 1.00 0.00 H new ATOM 0 HA LYS A 90 97.920 16.140 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 90 99.077 17.654 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 90 100.031 17.172 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 90 98.455 18.492 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 90 97.604 19.037 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.804 19.973 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.557 19.534 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 90 98.565 20.918 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 90 98.394 21.626 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 100.041 22.847 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 100.792 22.117 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 100.958 21.432 4.171 1.00 0.00 H new ATOM 1449 N TRP A 91 98.457 14.865 7.861 1.00 0.00 N ATOM 1450 CA TRP A 91 98.936 13.619 8.533 1.00 0.00 C ATOM 1451 C TRP A 91 97.757 12.863 9.151 1.00 0.00 C ATOM 1452 O TRP A 91 96.715 13.436 9.417 1.00 0.00 O ATOM 1453 CB TRP A 91 99.893 14.100 9.624 1.00 0.00 C ATOM 1454 CG TRP A 91 101.128 14.753 9.088 1.00 0.00 C ATOM 1455 CD1 TRP A 91 101.383 16.083 9.126 1.00 0.00 C ATOM 1456 CD2 TRP A 91 102.275 14.132 8.439 1.00 0.00 C ATOM 1457 NE1 TRP A 91 102.616 16.323 8.541 1.00 0.00 N ATOM 1458 CE2 TRP A 91 103.209 15.158 8.100 1.00 0.00 C ATOM 1459 CE3 TRP A 91 102.601 12.788 8.109 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 104.429 14.862 7.454 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 103.827 12.485 7.459 1.00 0.00 C ATOM 1462 CH2 TRP A 91 104.739 13.521 7.133 1.00 0.00 C ATOM 0 H TRP A 91 98.059 15.565 8.487 1.00 0.00 H new ATOM 0 HA TRP A 91 99.421 12.936 7.836 1.00 0.00 H new ATOM 0 HB2 TRP A 91 99.370 14.805 10.270 1.00 0.00 H new ATOM 0 HB3 TRP A 91 100.180 13.251 10.245 1.00 0.00 H new ATOM 0 HD1 TRP A 91 100.731 16.835 9.545 1.00 0.00 H new ATOM 0 HE1 TRP A 91 103.034 17.249 8.448 1.00 0.00 H new ATOM 0 HE3 TRP A 91 101.912 11.993 8.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 105.120 15.654 7.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 104.066 11.461 7.212 1.00 0.00 H new ATOM 0 HH2 TRP A 91 105.670 13.285 6.640 1.00 0.00 H new ATOM 1473 N SER A 92 97.915 11.581 9.377 1.00 0.00 N ATOM 1474 CA SER A 92 96.807 10.774 9.973 1.00 0.00 C ATOM 1475 C SER A 92 97.021 10.615 11.481 1.00 0.00 C ATOM 1476 O SER A 92 98.139 10.636 11.962 1.00 0.00 O ATOM 1477 CB SER A 92 96.885 9.417 9.274 1.00 0.00 C ATOM 1478 OG SER A 92 96.718 9.600 7.874 1.00 0.00 O ATOM 0 H SER A 92 98.767 11.058 9.173 1.00 0.00 H new ATOM 0 HA SER A 92 95.834 11.246 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 92 97.846 8.944 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 92 96.113 8.751 9.660 1.00 0.00 H new ATOM 0 HG SER A 92 96.769 8.732 7.422 1.00 0.00 H new ATOM 1484 N MET A 93 95.952 10.455 12.227 1.00 0.00 N ATOM 1485 CA MET A 93 96.076 10.313 13.715 1.00 0.00 C ATOM 1486 C MET A 93 96.834 9.028 14.069 1.00 0.00 C ATOM 1487 O MET A 93 97.580 8.985 15.030 1.00 0.00 O ATOM 1488 CB MET A 93 94.638 10.246 14.241 1.00 0.00 C ATOM 1489 CG MET A 93 93.937 11.587 14.004 1.00 0.00 C ATOM 1490 SD MET A 93 94.619 12.839 15.120 1.00 0.00 S ATOM 1491 CE MET A 93 94.039 12.105 16.669 1.00 0.00 C ATOM 0 H MET A 93 94.998 10.417 11.869 1.00 0.00 H new ATOM 0 HA MET A 93 96.630 11.142 14.155 1.00 0.00 H new ATOM 0 HB2 MET A 93 94.094 9.447 13.738 1.00 0.00 H new ATOM 0 HB3 MET A 93 94.641 10.009 15.305 1.00 0.00 H new ATOM 0 HG2 MET A 93 94.069 11.899 12.968 1.00 0.00 H new ATOM 0 HG3 MET A 93 92.865 11.482 14.171 1.00 0.00 H new ATOM 0 HE1 MET A 93 93.827 12.895 17.389 1.00 0.00 H new ATOM 0 HE2 MET A 93 93.132 11.531 16.482 1.00 0.00 H new ATOM 0 HE3 MET A 93 94.809 11.446 17.070 1.00 0.00 H new ATOM 1501 N ASP A 94 96.645 7.986 13.296 1.00 0.00 N ATOM 1502 CA ASP A 94 97.348 6.696 13.580 1.00 0.00 C ATOM 1503 C ASP A 94 98.718 6.680 12.897 1.00 0.00 C ATOM 1504 O ASP A 94 98.843 7.015 11.733 1.00 0.00 O ATOM 1505 CB ASP A 94 96.444 5.608 12.995 1.00 0.00 C ATOM 1506 CG ASP A 94 96.914 4.233 13.476 1.00 0.00 C ATOM 1507 OD1 ASP A 94 98.111 3.996 13.454 1.00 0.00 O ATOM 1508 OD2 ASP A 94 96.069 3.440 13.858 1.00 0.00 O ATOM 0 H ASP A 94 96.033 7.973 12.480 1.00 0.00 H new ATOM 0 HA ASP A 94 97.521 6.548 14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 94 95.411 5.777 13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 94 96.466 5.650 11.906 1.00 0.00 H new ATOM 1513 N CYS A 95 99.745 6.292 13.615 1.00 0.00 N ATOM 1514 CA CYS A 95 101.114 6.245 13.018 1.00 0.00 C ATOM 1515 C CYS A 95 102.017 5.318 13.838 1.00 0.00 C ATOM 1516 O CYS A 95 102.529 4.336 13.333 1.00 0.00 O ATOM 1517 CB CYS A 95 101.624 7.686 13.082 1.00 0.00 C ATOM 1518 SG CYS A 95 103.104 7.848 12.054 1.00 0.00 S ATOM 0 H CYS A 95 99.692 6.005 14.592 1.00 0.00 H new ATOM 0 HA CYS A 95 101.107 5.860 11.998 1.00 0.00 H new ATOM 0 HB2 CYS A 95 100.851 8.372 12.736 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.853 7.957 14.113 1.00 0.00 H new ATOM 0 HG CYS A 95 104.128 7.360 12.688 1.00 0.00 H new ATOM 1524 N ASP A 96 102.213 5.627 15.097 1.00 0.00 N ATOM 1525 CA ASP A 96 103.082 4.772 15.961 1.00 0.00 C ATOM 1526 C ASP A 96 102.495 4.677 17.372 1.00 0.00 C ATOM 1527 O ASP A 96 102.274 3.597 17.889 1.00 0.00 O ATOM 1528 CB ASP A 96 104.437 5.482 15.992 1.00 0.00 C ATOM 1529 CG ASP A 96 105.074 5.441 14.600 1.00 0.00 C ATOM 1530 OD1 ASP A 96 105.005 4.400 13.967 1.00 0.00 O ATOM 1531 OD2 ASP A 96 105.619 6.453 14.191 1.00 0.00 O ATOM 0 H ASP A 96 101.806 6.438 15.564 1.00 0.00 H new ATOM 0 HA ASP A 96 103.165 3.754 15.581 1.00 0.00 H new ATOM 0 HB2 ASP A 96 104.309 6.516 16.314 1.00 0.00 H new ATOM 0 HB3 ASP A 96 105.094 5.001 16.717 1.00 0.00 H new ATOM 1536 N GLU A 97 102.241 5.803 17.995 1.00 0.00 N ATOM 1537 CA GLU A 97 101.668 5.795 19.376 1.00 0.00 C ATOM 1538 C GLU A 97 100.203 6.240 19.341 1.00 0.00 C ATOM 1539 O GLU A 97 99.818 7.066 18.534 1.00 0.00 O ATOM 1540 CB GLU A 97 102.517 6.797 20.162 1.00 0.00 C ATOM 1541 CG GLU A 97 102.154 6.724 21.647 1.00 0.00 C ATOM 1542 CD GLU A 97 102.917 7.804 22.416 1.00 0.00 C ATOM 1543 OE1 GLU A 97 102.988 8.919 21.925 1.00 0.00 O ATOM 1544 OE2 GLU A 97 103.419 7.499 23.486 1.00 0.00 O ATOM 0 H GLU A 97 102.407 6.730 17.604 1.00 0.00 H new ATOM 0 HA GLU A 97 101.687 4.803 19.828 1.00 0.00 H new ATOM 0 HB2 GLU A 97 103.576 6.578 20.025 1.00 0.00 H new ATOM 0 HB3 GLU A 97 102.349 7.806 19.785 1.00 0.00 H new ATOM 0 HG2 GLU A 97 101.080 6.861 21.776 1.00 0.00 H new ATOM 0 HG3 GLU A 97 102.400 5.739 22.044 1.00 0.00 H new ATOM 1551 N GLU A 98 99.386 5.694 20.210 1.00 0.00 N ATOM 1552 CA GLU A 98 97.941 6.074 20.236 1.00 0.00 C ATOM 1553 C GLU A 98 97.706 7.179 21.270 1.00 0.00 C ATOM 1554 O GLU A 98 98.292 7.176 22.336 1.00 0.00 O ATOM 1555 CB GLU A 98 97.201 4.796 20.633 1.00 0.00 C ATOM 1556 CG GLU A 98 95.691 5.010 20.489 1.00 0.00 C ATOM 1557 CD GLU A 98 94.946 3.772 20.995 1.00 0.00 C ATOM 1558 OE1 GLU A 98 95.328 3.257 22.034 1.00 0.00 O ATOM 1559 OE2 GLU A 98 94.005 3.362 20.336 1.00 0.00 O ATOM 0 H GLU A 98 99.661 4.999 20.904 1.00 0.00 H new ATOM 0 HA GLU A 98 97.596 6.459 19.276 1.00 0.00 H new ATOM 0 HB2 GLU A 98 97.523 3.967 20.003 1.00 0.00 H new ATOM 0 HB3 GLU A 98 97.444 4.528 21.661 1.00 0.00 H new ATOM 0 HG2 GLU A 98 95.383 5.889 21.055 1.00 0.00 H new ATOM 0 HG3 GLU A 98 95.438 5.198 19.446 1.00 0.00 H new ATOM 1566 N PHE A 99 96.848 8.121 20.958 1.00 0.00 N ATOM 1567 CA PHE A 99 96.571 9.240 21.909 1.00 0.00 C ATOM 1568 C PHE A 99 95.268 8.973 22.670 1.00 0.00 C ATOM 1569 O PHE A 99 94.383 8.295 22.180 1.00 0.00 O ATOM 1570 CB PHE A 99 96.439 10.482 21.028 1.00 0.00 C ATOM 1571 CG PHE A 99 96.531 11.780 21.798 1.00 0.00 C ATOM 1572 CD1 PHE A 99 97.752 12.154 22.410 1.00 0.00 C ATOM 1573 CD2 PHE A 99 95.398 12.622 21.905 1.00 0.00 C ATOM 1574 CE1 PHE A 99 97.839 13.371 23.129 1.00 0.00 C ATOM 1575 CE2 PHE A 99 95.485 13.839 22.625 1.00 0.00 C ATOM 1576 CZ PHE A 99 96.706 14.213 23.237 1.00 0.00 C ATOM 0 H PHE A 99 96.327 8.162 20.082 1.00 0.00 H new ATOM 0 HA PHE A 99 97.356 9.355 22.657 1.00 0.00 H new ATOM 0 HB2 PHE A 99 97.220 10.463 20.268 1.00 0.00 H new ATOM 0 HB3 PHE A 99 95.484 10.446 20.504 1.00 0.00 H new ATOM 0 HD1 PHE A 99 98.616 11.512 22.328 1.00 0.00 H new ATOM 0 HD2 PHE A 99 94.467 12.337 21.438 1.00 0.00 H new ATOM 0 HE1 PHE A 99 98.770 13.657 23.595 1.00 0.00 H new ATOM 0 HE2 PHE A 99 94.621 14.481 22.707 1.00 0.00 H new ATOM 0 HZ PHE A 99 96.773 15.141 23.786 1.00 0.00 H new ATOM 1586 N ASP A 100 95.146 9.505 23.864 1.00 0.00 N ATOM 1587 CA ASP A 100 93.920 9.249 24.694 1.00 0.00 C ATOM 1588 C ASP A 100 92.666 9.767 23.981 1.00 0.00 C ATOM 1589 O ASP A 100 91.606 9.176 24.069 1.00 0.00 O ATOM 1590 CB ASP A 100 94.144 10.018 26.002 1.00 0.00 C ATOM 1591 CG ASP A 100 95.317 9.401 26.769 1.00 0.00 C ATOM 1592 OD1 ASP A 100 95.395 8.184 26.818 1.00 0.00 O ATOM 1593 OD2 ASP A 100 96.118 10.157 27.295 1.00 0.00 O ATOM 0 H ASP A 100 95.843 10.107 24.302 1.00 0.00 H new ATOM 0 HA ASP A 100 93.768 8.184 24.868 1.00 0.00 H new ATOM 0 HB2 ASP A 100 94.348 11.067 25.788 1.00 0.00 H new ATOM 0 HB3 ASP A 100 93.241 9.987 26.612 1.00 0.00 H new ATOM 1598 N PHE A 101 92.784 10.867 23.277 1.00 0.00 N ATOM 1599 CA PHE A 101 91.607 11.429 22.547 1.00 0.00 C ATOM 1600 C PHE A 101 91.684 11.063 21.062 1.00 0.00 C ATOM 1601 O PHE A 101 92.690 11.282 20.412 1.00 0.00 O ATOM 1602 CB PHE A 101 91.714 12.943 22.732 1.00 0.00 C ATOM 1603 CG PHE A 101 91.593 13.383 24.172 1.00 0.00 C ATOM 1604 CD1 PHE A 101 90.315 13.584 24.747 1.00 0.00 C ATOM 1605 CD2 PHE A 101 92.760 13.596 24.947 1.00 0.00 C ATOM 1606 CE1 PHE A 101 90.202 13.997 26.097 1.00 0.00 C ATOM 1607 CE2 PHE A 101 92.646 14.008 26.297 1.00 0.00 C ATOM 1608 CZ PHE A 101 91.368 14.208 26.871 1.00 0.00 C ATOM 0 H PHE A 101 93.648 11.400 23.177 1.00 0.00 H new ATOM 0 HA PHE A 101 90.661 11.038 22.922 1.00 0.00 H new ATOM 0 HB2 PHE A 101 92.671 13.283 22.335 1.00 0.00 H new ATOM 0 HB3 PHE A 101 90.935 13.429 22.145 1.00 0.00 H new ATOM 0 HD1 PHE A 101 89.426 13.422 24.156 1.00 0.00 H new ATOM 0 HD2 PHE A 101 93.735 13.444 24.509 1.00 0.00 H new ATOM 0 HE1 PHE A 101 89.227 14.151 26.535 1.00 0.00 H new ATOM 0 HE2 PHE A 101 93.535 14.170 26.889 1.00 0.00 H new ATOM 0 HZ PHE A 101 91.282 14.522 27.901 1.00 0.00 H new ATOM 1618 N ALA A 102 90.624 10.507 20.524 1.00 0.00 N ATOM 1619 CA ALA A 102 90.621 10.117 19.080 1.00 0.00 C ATOM 1620 C ALA A 102 89.654 11.007 18.293 1.00 0.00 C ATOM 1621 O ALA A 102 89.894 11.330 17.145 1.00 0.00 O ATOM 1622 CB ALA A 102 90.144 8.665 19.065 1.00 0.00 C ATOM 0 H ALA A 102 89.759 10.306 21.026 1.00 0.00 H new ATOM 0 HA ALA A 102 91.602 10.230 18.619 1.00 0.00 H new ATOM 0 HB1 ALA A 102 90.114 8.303 18.037 1.00 0.00 H new ATOM 0 HB2 ALA A 102 90.831 8.050 19.647 1.00 0.00 H new ATOM 0 HB3 ALA A 102 89.146 8.605 19.500 1.00 0.00 H new ATOM 1628 N ALA A 103 88.558 11.405 18.908 1.00 0.00 N ATOM 1629 CA ALA A 103 87.538 12.266 18.211 1.00 0.00 C ATOM 1630 C ALA A 103 87.117 11.648 16.868 1.00 0.00 C ATOM 1631 O ALA A 103 86.753 12.350 15.943 1.00 0.00 O ATOM 1632 CB ALA A 103 88.222 13.620 17.989 1.00 0.00 C ATOM 0 H ALA A 103 88.325 11.168 19.872 1.00 0.00 H new ATOM 0 HA ALA A 103 86.629 12.363 18.805 1.00 0.00 H new ATOM 0 HB1 ALA A 103 87.533 14.297 17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 103 88.509 14.045 18.951 1.00 0.00 H new ATOM 0 HB3 ALA A 103 89.111 13.482 17.374 1.00 0.00 H new ATOM 1638 N ASN A 104 87.168 10.342 16.763 1.00 0.00 N ATOM 1639 CA ASN A 104 86.769 9.665 15.489 1.00 0.00 C ATOM 1640 C ASN A 104 85.528 8.798 15.721 1.00 0.00 C ATOM 1641 O ASN A 104 85.281 8.338 16.820 1.00 0.00 O ATOM 1642 CB ASN A 104 87.968 8.794 15.108 1.00 0.00 C ATOM 1643 CG ASN A 104 89.162 9.685 14.757 1.00 0.00 C ATOM 1644 OD1 ASN A 104 89.000 10.739 14.174 1.00 0.00 O ATOM 1645 ND2 ASN A 104 90.365 9.302 15.088 1.00 0.00 N ATOM 0 H ASN A 104 87.470 9.714 17.508 1.00 0.00 H new ATOM 0 HA ASN A 104 86.519 10.377 14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 104 88.226 8.132 15.935 1.00 0.00 H new ATOM 0 HB3 ASN A 104 87.714 8.159 14.259 1.00 0.00 H new ATOM 0 HD21 ASN A 104 91.168 9.887 14.857 1.00 0.00 H new ATOM 0 HD22 ASN A 104 90.502 8.418 15.577 1.00 0.00 H new ATOM 1652 N LEU A 105 84.749 8.573 14.688 1.00 0.00 N ATOM 1653 CA LEU A 105 83.512 7.737 14.837 1.00 0.00 C ATOM 1654 C LEU A 105 83.887 6.293 15.187 1.00 0.00 C ATOM 1655 O LEU A 105 83.237 5.652 15.992 1.00 0.00 O ATOM 1656 CB LEU A 105 82.814 7.795 13.476 1.00 0.00 C ATOM 1657 CG LEU A 105 81.426 7.162 13.582 1.00 0.00 C ATOM 1658 CD1 LEU A 105 80.494 8.099 14.352 1.00 0.00 C ATOM 1659 CD2 LEU A 105 80.865 6.926 12.178 1.00 0.00 C ATOM 0 H LEU A 105 84.916 8.932 13.748 1.00 0.00 H new ATOM 0 HA LEU A 105 82.867 8.102 15.636 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.728 8.830 13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 105 83.408 7.269 12.729 1.00 0.00 H new ATOM 0 HG LEU A 105 81.500 6.211 14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 105 79.505 7.647 14.427 1.00 0.00 H new ATOM 0 HD12 LEU A 105 80.893 8.268 15.352 1.00 0.00 H new ATOM 0 HD13 LEU A 105 80.419 9.051 13.826 1.00 0.00 H new ATOM 0 HD21 LEU A 105 79.876 6.475 12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 105 80.791 7.877 11.651 1.00 0.00 H new ATOM 0 HD23 LEU A 105 81.528 6.258 11.629 1.00 0.00 H new ATOM 1671 N GLU A 106 84.938 5.776 14.581 1.00 0.00 N ATOM 1672 CA GLU A 106 85.391 4.367 14.861 1.00 0.00 C ATOM 1673 C GLU A 106 84.231 3.373 14.709 1.00 0.00 C ATOM 1674 O GLU A 106 83.146 3.734 14.289 1.00 0.00 O ATOM 1675 CB GLU A 106 85.901 4.379 16.306 1.00 0.00 C ATOM 1676 CG GLU A 106 87.155 5.255 16.400 1.00 0.00 C ATOM 1677 CD GLU A 106 87.721 5.204 17.824 1.00 0.00 C ATOM 1678 OE1 GLU A 106 86.935 5.141 18.756 1.00 0.00 O ATOM 1679 OE2 GLU A 106 88.934 5.229 17.956 1.00 0.00 O ATOM 0 H GLU A 106 85.507 6.276 13.897 1.00 0.00 H new ATOM 0 HA GLU A 106 86.163 4.051 14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 106 85.127 4.761 16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 106 86.129 3.364 16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 106 87.905 4.909 15.689 1.00 0.00 H new ATOM 0 HG3 GLU A 106 86.912 6.283 16.132 1.00 0.00 H new ATOM 1686 N LYS A 107 84.458 2.127 15.047 1.00 0.00 N ATOM 1687 CA LYS A 107 83.375 1.101 14.945 1.00 0.00 C ATOM 1688 C LYS A 107 83.157 0.426 16.302 1.00 0.00 C ATOM 1689 O LYS A 107 84.092 -0.028 16.935 1.00 0.00 O ATOM 1690 CB LYS A 107 83.882 0.086 13.919 1.00 0.00 C ATOM 1691 CG LYS A 107 83.952 0.743 12.538 1.00 0.00 C ATOM 1692 CD LYS A 107 84.348 -0.304 11.494 1.00 0.00 C ATOM 1693 CE LYS A 107 84.534 0.374 10.135 1.00 0.00 C ATOM 1694 NZ LYS A 107 85.154 -0.667 9.268 1.00 0.00 N ATOM 0 H LYS A 107 85.352 1.776 15.391 1.00 0.00 H new ATOM 0 HA LYS A 107 82.421 1.538 14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 107 84.867 -0.279 14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 107 83.218 -0.778 13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 107 82.987 1.180 12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 107 84.678 1.556 12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 107 85.271 -0.801 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 107 83.579 -1.074 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 107 83.581 0.711 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 107 85.174 1.253 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 85.313 -0.277 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 86.063 -0.963 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 84.519 -1.488 9.204 1.00 0.00 H new ATOM 1708 N PHE A 108 81.926 0.358 16.751 1.00 0.00 N ATOM 1709 CA PHE A 108 81.629 -0.292 18.065 1.00 0.00 C ATOM 1710 C PHE A 108 80.607 -1.416 17.880 1.00 0.00 C ATOM 1711 O PHE A 108 79.825 -1.407 16.947 1.00 0.00 O ATOM 1712 CB PHE A 108 81.049 0.822 18.936 1.00 0.00 C ATOM 1713 CG PHE A 108 82.036 1.925 19.240 1.00 0.00 C ATOM 1714 CD1 PHE A 108 82.984 1.759 20.279 1.00 0.00 C ATOM 1715 CD2 PHE A 108 82.012 3.125 18.487 1.00 0.00 C ATOM 1716 CE1 PHE A 108 83.909 2.794 20.565 1.00 0.00 C ATOM 1717 CE2 PHE A 108 82.937 4.158 18.774 1.00 0.00 C ATOM 1718 CZ PHE A 108 83.885 3.993 19.812 1.00 0.00 C ATOM 0 H PHE A 108 81.111 0.727 16.261 1.00 0.00 H new ATOM 0 HA PHE A 108 82.516 -0.740 18.514 1.00 0.00 H new ATOM 0 HB2 PHE A 108 80.181 1.250 18.434 1.00 0.00 H new ATOM 0 HB3 PHE A 108 80.696 0.393 19.874 1.00 0.00 H new ATOM 0 HD1 PHE A 108 83.002 0.844 20.853 1.00 0.00 H new ATOM 0 HD2 PHE A 108 81.289 3.252 17.695 1.00 0.00 H new ATOM 0 HE1 PHE A 108 84.632 2.668 21.357 1.00 0.00 H new ATOM 0 HE2 PHE A 108 82.919 5.073 18.200 1.00 0.00 H new ATOM 0 HZ PHE A 108 84.590 4.782 20.030 1.00 0.00 H new ATOM 1728 N ASP A 109 80.610 -2.383 18.767 1.00 0.00 N ATOM 1729 CA ASP A 109 79.633 -3.511 18.663 1.00 0.00 C ATOM 1730 C ASP A 109 78.419 -3.242 19.558 1.00 0.00 C ATOM 1731 O ASP A 109 78.494 -2.476 20.501 1.00 0.00 O ATOM 1732 CB ASP A 109 80.396 -4.747 19.152 1.00 0.00 C ATOM 1733 CG ASP A 109 81.525 -5.078 18.171 1.00 0.00 C ATOM 1734 OD1 ASP A 109 81.288 -5.004 16.975 1.00 0.00 O ATOM 1735 OD2 ASP A 109 82.607 -5.400 18.633 1.00 0.00 O ATOM 0 H ASP A 109 81.249 -2.439 19.560 1.00 0.00 H new ATOM 0 HA ASP A 109 79.259 -3.640 17.647 1.00 0.00 H new ATOM 0 HB2 ASP A 109 80.806 -4.564 20.145 1.00 0.00 H new ATOM 0 HB3 ASP A 109 79.717 -5.595 19.239 1.00 0.00 H new ATOM 1740 N LYS A 110 77.305 -3.868 19.265 1.00 0.00 N ATOM 1741 CA LYS A 110 76.076 -3.652 20.091 1.00 0.00 C ATOM 1742 C LYS A 110 76.098 -4.568 21.319 1.00 0.00 C ATOM 1743 O LYS A 110 76.605 -5.673 21.268 1.00 0.00 O ATOM 1744 CB LYS A 110 74.902 -4.014 19.176 1.00 0.00 C ATOM 1745 CG LYS A 110 74.814 -3.004 18.030 1.00 0.00 C ATOM 1746 CD LYS A 110 73.570 -3.295 17.189 1.00 0.00 C ATOM 1747 CE LYS A 110 73.536 -2.353 15.982 1.00 0.00 C ATOM 1748 NZ LYS A 110 74.413 -2.999 14.966 1.00 0.00 N ATOM 0 H LYS A 110 77.194 -4.520 18.488 1.00 0.00 H new ATOM 0 HA LYS A 110 76.003 -2.627 20.455 1.00 0.00 H new ATOM 0 HB2 LYS A 110 75.035 -5.020 18.778 1.00 0.00 H new ATOM 0 HB3 LYS A 110 73.972 -4.016 19.744 1.00 0.00 H new ATOM 0 HG2 LYS A 110 74.769 -1.990 18.427 1.00 0.00 H new ATOM 0 HG3 LYS A 110 75.708 -3.063 17.409 1.00 0.00 H new ATOM 0 HD2 LYS A 110 73.579 -4.332 16.854 1.00 0.00 H new ATOM 0 HD3 LYS A 110 72.672 -3.163 17.792 1.00 0.00 H new ATOM 0 HE2 LYS A 110 72.520 -2.230 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 110 73.901 -1.360 16.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 74.954 -2.269 14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 75.070 -3.651 15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 73.828 -3.528 14.288 1.00 0.00 H new ATOM 1762 N LYS A 111 75.551 -4.111 22.419 1.00 0.00 N ATOM 1763 CA LYS A 111 75.530 -4.948 23.662 1.00 0.00 C ATOM 1764 C LYS A 111 74.301 -5.866 23.669 1.00 0.00 C ATOM 1765 O LYS A 111 74.342 -6.960 24.203 1.00 0.00 O ATOM 1766 CB LYS A 111 75.457 -3.946 24.817 1.00 0.00 C ATOM 1767 CG LYS A 111 75.661 -4.679 26.145 1.00 0.00 C ATOM 1768 CD LYS A 111 75.680 -3.666 27.292 1.00 0.00 C ATOM 1769 CE LYS A 111 74.255 -3.184 27.574 1.00 0.00 C ATOM 1770 NZ LYS A 111 73.665 -4.226 28.460 1.00 0.00 N ATOM 0 H LYS A 111 75.117 -3.193 22.511 1.00 0.00 H new ATOM 0 HA LYS A 111 76.406 -5.593 23.736 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.219 -3.177 24.693 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.491 -3.441 24.813 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.861 -5.403 26.299 1.00 0.00 H new ATOM 0 HG3 LYS A 111 76.597 -5.237 26.124 1.00 0.00 H new ATOM 0 HD2 LYS A 111 76.104 -4.122 28.187 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.316 -2.820 27.033 1.00 0.00 H new ATOM 0 HE2 LYS A 111 74.257 -2.208 28.059 1.00 0.00 H new ATOM 0 HE3 LYS A 111 73.683 -3.080 26.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 72.677 -4.397 28.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.208 -5.108 28.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 73.697 -3.901 29.447 1.00 0.00 H new ATOM 1784 N GLN A 112 73.213 -5.428 23.080 1.00 0.00 N ATOM 1785 CA GLN A 112 71.949 -6.239 23.110 1.00 0.00 C ATOM 1786 C GLN A 112 72.145 -7.584 22.398 1.00 0.00 C ATOM 1787 O GLN A 112 71.550 -8.579 22.769 1.00 0.00 O ATOM 1788 CB GLN A 112 70.906 -5.395 22.370 1.00 0.00 C ATOM 1789 CG GLN A 112 70.620 -4.118 23.166 1.00 0.00 C ATOM 1790 CD GLN A 112 69.625 -3.243 22.398 1.00 0.00 C ATOM 1791 OE1 GLN A 112 69.633 -3.212 21.182 1.00 0.00 O ATOM 1792 NE2 GLN A 112 68.761 -2.524 23.061 1.00 0.00 N ATOM 0 H GLN A 112 73.144 -4.543 22.578 1.00 0.00 H new ATOM 0 HA GLN A 112 71.644 -6.465 24.132 1.00 0.00 H new ATOM 0 HB2 GLN A 112 71.269 -5.141 21.374 1.00 0.00 H new ATOM 0 HB3 GLN A 112 69.988 -5.967 22.238 1.00 0.00 H new ATOM 0 HG2 GLN A 112 70.215 -4.372 24.146 1.00 0.00 H new ATOM 0 HG3 GLN A 112 71.546 -3.569 23.336 1.00 0.00 H new ATOM 0 HE21 GLN A 112 68.753 -2.549 24.081 1.00 0.00 H new ATOM 0 HE22 GLN A 112 68.094 -1.937 22.560 1.00 0.00 H new ATOM 1801 N VAL A 113 72.975 -7.617 21.382 1.00 0.00 N ATOM 1802 CA VAL A 113 73.174 -8.889 20.607 1.00 0.00 C ATOM 1803 C VAL A 113 73.830 -9.963 21.487 1.00 0.00 C ATOM 1804 O VAL A 113 73.575 -11.143 21.328 1.00 0.00 O ATOM 1805 CB VAL A 113 74.081 -8.530 19.413 1.00 0.00 C ATOM 1806 CG1 VAL A 113 73.388 -7.484 18.534 1.00 0.00 C ATOM 1807 CG2 VAL A 113 75.430 -7.977 19.905 1.00 0.00 C ATOM 0 H VAL A 113 73.523 -6.821 21.055 1.00 0.00 H new ATOM 0 HA VAL A 113 72.222 -9.298 20.268 1.00 0.00 H new ATOM 0 HB VAL A 113 74.264 -9.434 18.832 1.00 0.00 H new ATOM 0 HG11 VAL A 113 74.032 -7.233 17.691 1.00 0.00 H new ATOM 0 HG12 VAL A 113 72.446 -7.887 18.163 1.00 0.00 H new ATOM 0 HG13 VAL A 113 73.193 -6.587 19.121 1.00 0.00 H new ATOM 0 HG21 VAL A 113 76.056 -7.729 19.048 1.00 0.00 H new ATOM 0 HG22 VAL A 113 75.260 -7.080 20.501 1.00 0.00 H new ATOM 0 HG23 VAL A 113 75.931 -8.729 20.515 1.00 0.00 H new ATOM 1817 N PHE A 114 74.670 -9.560 22.410 1.00 0.00 N ATOM 1818 CA PHE A 114 75.363 -10.556 23.290 1.00 0.00 C ATOM 1819 C PHE A 114 74.358 -11.226 24.232 1.00 0.00 C ATOM 1820 O PHE A 114 74.406 -12.423 24.451 1.00 0.00 O ATOM 1821 CB PHE A 114 76.391 -9.752 24.091 1.00 0.00 C ATOM 1822 CG PHE A 114 77.574 -9.299 23.268 1.00 0.00 C ATOM 1823 CD1 PHE A 114 77.584 -8.003 22.698 1.00 0.00 C ATOM 1824 CD2 PHE A 114 78.673 -10.169 23.069 1.00 0.00 C ATOM 1825 CE1 PHE A 114 78.694 -7.577 21.927 1.00 0.00 C ATOM 1826 CE2 PHE A 114 79.783 -9.743 22.298 1.00 0.00 C ATOM 1827 CZ PHE A 114 79.792 -8.448 21.727 1.00 0.00 C ATOM 0 H PHE A 114 74.906 -8.585 22.593 1.00 0.00 H new ATOM 0 HA PHE A 114 75.834 -11.349 22.709 1.00 0.00 H new ATOM 0 HB2 PHE A 114 75.902 -8.878 24.522 1.00 0.00 H new ATOM 0 HB3 PHE A 114 76.748 -10.360 24.923 1.00 0.00 H new ATOM 0 HD1 PHE A 114 76.746 -7.339 22.851 1.00 0.00 H new ATOM 0 HD2 PHE A 114 78.665 -11.157 23.505 1.00 0.00 H new ATOM 0 HE1 PHE A 114 78.702 -6.588 21.492 1.00 0.00 H new ATOM 0 HE2 PHE A 114 80.622 -10.406 22.146 1.00 0.00 H new ATOM 0 HZ PHE A 114 80.637 -8.124 21.138 1.00 0.00 H new ATOM 1837 N ALA A 115 73.449 -10.462 24.788 1.00 0.00 N ATOM 1838 CA ALA A 115 72.443 -11.042 25.729 1.00 0.00 C ATOM 1839 C ALA A 115 71.088 -11.193 25.032 1.00 0.00 C ATOM 1840 O ALA A 115 70.589 -10.264 24.425 1.00 0.00 O ATOM 1841 CB ALA A 115 72.347 -10.035 26.875 1.00 0.00 C ATOM 0 H ALA A 115 73.361 -9.458 24.629 1.00 0.00 H new ATOM 0 HA ALA A 115 72.730 -12.033 26.079 1.00 0.00 H new ATOM 0 HB1 ALA A 115 71.625 -10.389 27.611 1.00 0.00 H new ATOM 0 HB2 ALA A 115 73.324 -9.927 27.347 1.00 0.00 H new ATOM 0 HB3 ALA A 115 72.023 -9.070 26.485 1.00 0.00 H new ATOM 1847 N GLU A 116 70.493 -12.360 25.117 1.00 0.00 N ATOM 1848 CA GLU A 116 69.154 -12.576 24.478 1.00 0.00 C ATOM 1849 C GLU A 116 68.080 -11.739 25.188 1.00 0.00 C ATOM 1850 O GLU A 116 67.129 -11.289 24.575 1.00 0.00 O ATOM 1851 CB GLU A 116 68.864 -14.082 24.613 1.00 0.00 C ATOM 1852 CG GLU A 116 68.764 -14.486 26.091 1.00 0.00 C ATOM 1853 CD GLU A 116 68.454 -15.981 26.192 1.00 0.00 C ATOM 1854 OE1 GLU A 116 67.344 -16.360 25.858 1.00 0.00 O ATOM 1855 OE2 GLU A 116 69.333 -16.722 26.600 1.00 0.00 O ATOM 0 H GLU A 116 70.876 -13.172 25.601 1.00 0.00 H new ATOM 0 HA GLU A 116 69.148 -12.267 23.433 1.00 0.00 H new ATOM 0 HB2 GLU A 116 67.933 -14.325 24.101 1.00 0.00 H new ATOM 0 HB3 GLU A 116 69.654 -14.654 24.127 1.00 0.00 H new ATOM 0 HG2 GLU A 116 69.699 -14.262 26.604 1.00 0.00 H new ATOM 0 HG3 GLU A 116 67.983 -13.908 26.585 1.00 0.00 H new ATOM 1862 N PHE A 117 68.229 -11.533 26.475 1.00 0.00 N ATOM 1863 CA PHE A 117 67.225 -10.730 27.236 1.00 0.00 C ATOM 1864 C PHE A 117 67.755 -9.315 27.483 1.00 0.00 C ATOM 1865 O PHE A 117 68.901 -9.130 27.850 1.00 0.00 O ATOM 1866 CB PHE A 117 67.044 -11.472 28.560 1.00 0.00 C ATOM 1867 CG PHE A 117 65.973 -10.876 29.444 1.00 0.00 C ATOM 1868 CD1 PHE A 117 64.621 -11.260 29.274 1.00 0.00 C ATOM 1869 CD2 PHE A 117 66.323 -9.933 30.441 1.00 0.00 C ATOM 1870 CE1 PHE A 117 63.618 -10.701 30.103 1.00 0.00 C ATOM 1871 CE2 PHE A 117 65.320 -9.375 31.269 1.00 0.00 C ATOM 1872 CZ PHE A 117 63.967 -9.758 31.100 1.00 0.00 C ATOM 0 H PHE A 117 69.006 -11.889 27.031 1.00 0.00 H new ATOM 0 HA PHE A 117 66.285 -10.627 26.694 1.00 0.00 H new ATOM 0 HB2 PHE A 117 66.795 -12.513 28.353 1.00 0.00 H new ATOM 0 HB3 PHE A 117 67.991 -11.472 29.100 1.00 0.00 H new ATOM 0 HD1 PHE A 117 64.355 -11.978 28.513 1.00 0.00 H new ATOM 0 HD2 PHE A 117 67.355 -9.640 30.569 1.00 0.00 H new ATOM 0 HE1 PHE A 117 62.586 -10.994 29.975 1.00 0.00 H new ATOM 0 HE2 PHE A 117 65.587 -8.657 32.030 1.00 0.00 H new ATOM 0 HZ PHE A 117 63.202 -9.331 31.731 1.00 0.00 H new ATOM 1882 N ARG A 118 66.928 -8.318 27.281 1.00 0.00 N ATOM 1883 CA ARG A 118 67.372 -6.908 27.498 1.00 0.00 C ATOM 1884 C ARG A 118 66.924 -6.418 28.879 1.00 0.00 C ATOM 1885 O ARG A 118 65.783 -6.588 29.265 1.00 0.00 O ATOM 1886 CB ARG A 118 66.683 -6.103 26.395 1.00 0.00 C ATOM 1887 CG ARG A 118 67.240 -4.678 26.373 1.00 0.00 C ATOM 1888 CD ARG A 118 66.550 -3.874 25.266 1.00 0.00 C ATOM 1889 NE ARG A 118 65.149 -3.650 25.751 1.00 0.00 N ATOM 1890 CZ ARG A 118 64.377 -2.723 25.218 1.00 0.00 C ATOM 1891 NH1 ARG A 118 64.794 -1.959 24.234 1.00 0.00 N ATOM 1892 NH2 ARG A 118 63.166 -2.563 25.677 1.00 0.00 N ATOM 0 H ARG A 118 65.961 -8.422 26.974 1.00 0.00 H new ATOM 0 HA ARG A 118 68.457 -6.806 27.462 1.00 0.00 H new ATOM 0 HB2 ARG A 118 66.842 -6.581 25.429 1.00 0.00 H new ATOM 0 HB3 ARG A 118 65.607 -6.081 26.566 1.00 0.00 H new ATOM 0 HG2 ARG A 118 67.079 -4.199 27.339 1.00 0.00 H new ATOM 0 HG3 ARG A 118 68.317 -4.700 26.203 1.00 0.00 H new ATOM 0 HD2 ARG A 118 67.061 -2.927 25.091 1.00 0.00 H new ATOM 0 HD3 ARG A 118 66.557 -4.419 24.322 1.00 0.00 H new ATOM 0 HE ARG A 118 64.785 -4.227 26.509 1.00 0.00 H new ATOM 0 HH11 ARG A 118 65.737 -2.075 23.863 1.00 0.00 H new ATOM 0 HH12 ARG A 118 64.175 -1.250 23.841 1.00 0.00 H new ATOM 0 HH21 ARG A 118 62.827 -3.151 26.439 1.00 0.00 H new ATOM 0 HH22 ARG A 118 62.558 -1.850 25.274 1.00 0.00 H new ATOM 1906 N GLU A 119 67.820 -5.813 29.623 1.00 0.00 N ATOM 1907 CA GLU A 119 67.459 -5.296 30.977 1.00 0.00 C ATOM 1908 C GLU A 119 67.541 -3.766 30.995 1.00 0.00 C ATOM 1909 O GLU A 119 68.480 -3.182 30.486 1.00 0.00 O ATOM 1910 CB GLU A 119 68.500 -5.902 31.921 1.00 0.00 C ATOM 1911 CG GLU A 119 68.112 -5.608 33.373 1.00 0.00 C ATOM 1912 CD GLU A 119 69.218 -6.099 34.311 1.00 0.00 C ATOM 1913 OE1 GLU A 119 70.377 -5.877 33.997 1.00 0.00 O ATOM 1914 OE2 GLU A 119 68.887 -6.688 35.326 1.00 0.00 O ATOM 0 H GLU A 119 68.789 -5.656 29.347 1.00 0.00 H new ATOM 0 HA GLU A 119 66.443 -5.563 31.267 1.00 0.00 H new ATOM 0 HB2 GLU A 119 68.566 -6.978 31.763 1.00 0.00 H new ATOM 0 HB3 GLU A 119 69.485 -5.487 31.706 1.00 0.00 H new ATOM 0 HG2 GLU A 119 67.955 -4.538 33.508 1.00 0.00 H new ATOM 0 HG3 GLU A 119 67.171 -6.101 33.615 1.00 0.00 H new ATOM 1921 N LYS A 120 66.562 -3.116 31.580 1.00 0.00 N ATOM 1922 CA LYS A 120 66.567 -1.616 31.630 1.00 0.00 C ATOM 1923 C LYS A 120 67.742 -1.115 32.479 1.00 0.00 C ATOM 1924 O LYS A 120 68.377 -0.131 32.151 1.00 0.00 O ATOM 1925 CB LYS A 120 65.235 -1.224 32.275 1.00 0.00 C ATOM 1926 CG LYS A 120 65.039 0.290 32.168 1.00 0.00 C ATOM 1927 CD LYS A 120 63.735 0.689 32.861 1.00 0.00 C ATOM 1928 CE LYS A 120 63.463 2.176 32.622 1.00 0.00 C ATOM 1929 NZ LYS A 120 64.356 2.888 33.579 1.00 0.00 N ATOM 0 H LYS A 120 65.759 -3.559 32.026 1.00 0.00 H new ATOM 0 HA LYS A 120 66.680 -1.177 30.639 1.00 0.00 H new ATOM 0 HB2 LYS A 120 64.414 -1.743 31.781 1.00 0.00 H new ATOM 0 HB3 LYS A 120 65.222 -1.530 33.321 1.00 0.00 H new ATOM 0 HG2 LYS A 120 65.880 0.809 32.627 1.00 0.00 H new ATOM 0 HG3 LYS A 120 65.013 0.590 31.121 1.00 0.00 H new ATOM 0 HD2 LYS A 120 62.909 0.091 32.476 1.00 0.00 H new ATOM 0 HD3 LYS A 120 63.803 0.488 33.930 1.00 0.00 H new ATOM 0 HE2 LYS A 120 63.683 2.457 31.592 1.00 0.00 H new ATOM 0 HE3 LYS A 120 62.416 2.420 32.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 63.782 3.343 34.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 65.008 2.207 34.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 64.903 3.612 33.071 1.00 0.00 H new ATOM 1943 N ASP A 121 68.032 -1.793 33.570 1.00 0.00 N ATOM 1944 CA ASP A 121 69.169 -1.380 34.468 1.00 0.00 C ATOM 1945 C ASP A 121 69.039 0.094 34.875 1.00 0.00 C ATOM 1946 O ASP A 121 67.985 0.663 34.642 1.00 0.00 O ATOM 1947 CB ASP A 121 70.444 -1.602 33.647 1.00 0.00 C ATOM 1948 CG ASP A 121 71.668 -1.464 34.554 1.00 0.00 C ATOM 1949 OD1 ASP A 121 72.236 -0.385 34.589 1.00 0.00 O ATOM 1950 OD2 ASP A 121 72.016 -2.439 35.199 1.00 0.00 O ATOM 1951 OXT ASP A 121 69.996 0.626 35.414 1.00 0.00 O ATOM 0 H ASP A 121 67.526 -2.622 33.880 1.00 0.00 H new ATOM 0 HA ASP A 121 69.177 -1.958 35.392 1.00 0.00 H new ATOM 0 HB2 ASP A 121 70.427 -2.591 33.190 1.00 0.00 H new ATOM 0 HB3 ASP A 121 70.497 -0.877 32.835 1.00 0.00 H new TER 1956 ASP A 121