USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 168:sc= -0.0774 (180deg=-0.128) USER MOD Single : A 2 SER OG : rot 78:sc= 1.26 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 9 ASN : amide:sc=-0.00292 K(o=-0.0029,f=-0.73) USER MOD Single : A 12 SER OG : rot 72:sc= 0.173 USER MOD Single : A 13 TYR OH : rot -7:sc= -0.406 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.04) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 77:sc= 1.63 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.79) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -2.33 K(o=-2.3,f=-5!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -137:sc= -7.7! (180deg=-14.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 69 GLN : amide:sc=-0.00235 X(o=-0.0024,f=-0.32) USER MOD Single : A 74 SER OG : rot 85:sc= 1.24 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= 1.2 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.371 -13.165 0.722 1.00 50.41 N ATOM 2 CA GLU A 1 18.418 -13.308 2.159 1.00 72.44 C ATOM 3 C GLU A 1 19.830 -13.021 2.680 1.00 23.34 C ATOM 4 O GLU A 1 20.619 -12.382 1.971 1.00 72.31 O ATOM 5 CB GLU A 1 17.826 -14.677 2.601 1.00 73.51 C ATOM 6 CG GLU A 1 18.380 -15.923 1.904 1.00 62.33 C ATOM 7 CD GLU A 1 19.746 -16.350 2.366 1.00 22.40 C ATOM 8 OE1 GLU A 1 20.753 -15.899 1.799 1.00 33.11 O ATOM 9 OE2 GLU A 1 19.835 -17.182 3.285 1.00 54.31 O ATOM 0 H1 GLU A 1 17.476 -13.555 0.363 1.00 50.41 H new ATOM 0 H2 GLU A 1 18.435 -12.158 0.471 1.00 50.41 H new ATOM 0 H3 GLU A 1 19.168 -13.679 0.296 1.00 50.41 H new ATOM 0 HA GLU A 1 17.777 -12.560 2.626 1.00 72.44 H new ATOM 0 HB2 GLU A 1 17.987 -14.787 3.673 1.00 73.51 H new ATOM 0 HB3 GLU A 1 16.748 -14.649 2.442 1.00 73.51 H new ATOM 0 HG2 GLU A 1 17.685 -16.748 2.060 1.00 62.33 H new ATOM 0 HG3 GLU A 1 18.417 -15.735 0.831 1.00 62.33 H new ATOM 16 N SER A 2 20.117 -13.432 3.926 1.00 14.13 N ATOM 17 CA SER A 2 21.391 -13.168 4.614 1.00 53.14 C ATOM 18 C SER A 2 21.473 -11.683 4.997 1.00 50.21 C ATOM 19 O SER A 2 22.517 -11.167 5.419 1.00 24.34 O ATOM 20 CB SER A 2 22.591 -13.606 3.766 1.00 53.11 C ATOM 21 OG SER A 2 22.553 -15.006 3.492 1.00 1.04 O ATOM 0 H SER A 2 19.459 -13.966 4.493 1.00 14.13 H new ATOM 0 HA SER A 2 21.426 -13.762 5.527 1.00 53.14 H new ATOM 0 HB2 SER A 2 22.598 -13.050 2.828 1.00 53.11 H new ATOM 0 HB3 SER A 2 23.516 -13.361 4.288 1.00 53.11 H new ATOM 0 HG SER A 2 21.903 -15.182 2.780 1.00 1.04 H new ATOM 27 N ASP A 3 20.333 -11.052 4.879 1.00 3.23 N ATOM 28 CA ASP A 3 20.066 -9.665 5.153 1.00 72.04 C ATOM 29 C ASP A 3 18.644 -9.478 4.758 1.00 52.42 C ATOM 30 O ASP A 3 18.097 -10.322 4.031 1.00 42.01 O ATOM 31 CB ASP A 3 20.938 -8.721 4.312 1.00 61.25 C ATOM 32 CG ASP A 3 20.637 -7.245 4.560 1.00 25.20 C ATOM 33 OD1 ASP A 3 20.526 -6.830 5.735 1.00 35.32 O ATOM 34 OD2 ASP A 3 20.500 -6.486 3.586 1.00 71.15 O ATOM 0 H ASP A 3 19.495 -11.539 4.561 1.00 3.23 H new ATOM 0 HA ASP A 3 20.277 -9.432 6.197 1.00 72.04 H new ATOM 0 HB2 ASP A 3 21.988 -8.913 4.533 1.00 61.25 H new ATOM 0 HB3 ASP A 3 20.789 -8.943 3.255 1.00 61.25 H new ATOM 39 N SER A 4 18.044 -8.449 5.200 1.00 40.23 N ATOM 40 CA SER A 4 16.699 -8.189 4.875 1.00 4.03 C ATOM 41 C SER A 4 16.638 -7.516 3.489 1.00 41.41 C ATOM 42 O SER A 4 16.513 -6.308 3.376 1.00 42.53 O ATOM 43 CB SER A 4 16.111 -7.314 5.960 1.00 50.54 C ATOM 44 OG SER A 4 16.555 -7.765 7.242 1.00 53.04 O ATOM 0 H SER A 4 18.476 -7.752 5.806 1.00 40.23 H new ATOM 0 HA SER A 4 16.116 -9.108 4.821 1.00 4.03 H new ATOM 0 HB2 SER A 4 16.410 -6.277 5.806 1.00 50.54 H new ATOM 0 HB3 SER A 4 15.022 -7.342 5.912 1.00 50.54 H new ATOM 0 HG SER A 4 16.172 -7.194 7.940 1.00 53.04 H new ATOM 50 N VAL A 5 16.770 -8.316 2.448 1.00 44.03 N ATOM 51 CA VAL A 5 16.880 -7.812 1.107 1.00 24.32 C ATOM 52 C VAL A 5 15.542 -7.329 0.571 1.00 22.14 C ATOM 53 O VAL A 5 15.411 -6.162 0.164 1.00 45.35 O ATOM 54 CB VAL A 5 17.472 -8.862 0.157 1.00 2.34 C ATOM 55 CG1 VAL A 5 17.697 -8.248 -1.192 1.00 15.32 C ATOM 56 CG2 VAL A 5 18.771 -9.432 0.713 1.00 5.04 C ATOM 0 H VAL A 5 16.803 -9.333 2.516 1.00 44.03 H new ATOM 0 HA VAL A 5 17.558 -6.960 1.152 1.00 24.32 H new ATOM 0 HB VAL A 5 16.765 -9.686 0.061 1.00 2.34 H new ATOM 0 HG11 VAL A 5 18.117 -8.994 -1.866 1.00 15.32 H new ATOM 0 HG12 VAL A 5 16.748 -7.891 -1.592 1.00 15.32 H new ATOM 0 HG13 VAL A 5 18.389 -7.411 -1.100 1.00 15.32 H new ATOM 0 HG21 VAL A 5 19.169 -10.173 0.020 1.00 5.04 H new ATOM 0 HG22 VAL A 5 19.496 -8.628 0.840 1.00 5.04 H new ATOM 0 HG23 VAL A 5 18.579 -9.903 1.677 1.00 5.04 H new ATOM 66 N GLU A 6 14.550 -8.206 0.589 1.00 3.21 N ATOM 67 CA GLU A 6 13.212 -7.876 0.103 1.00 11.34 C ATOM 68 C GLU A 6 12.604 -6.792 0.961 1.00 33.34 C ATOM 69 O GLU A 6 11.920 -5.893 0.476 1.00 14.12 O ATOM 70 CB GLU A 6 12.324 -9.112 0.104 1.00 74.33 C ATOM 71 CG GLU A 6 12.769 -10.186 -0.870 1.00 13.24 C ATOM 72 CD GLU A 6 12.729 -9.722 -2.313 1.00 61.14 C ATOM 73 OE1 GLU A 6 11.617 -9.652 -2.909 1.00 15.35 O ATOM 74 OE2 GLU A 6 13.783 -9.408 -2.884 1.00 14.32 O ATOM 0 H GLU A 6 14.644 -9.160 0.937 1.00 3.21 H new ATOM 0 HA GLU A 6 13.292 -7.512 -0.921 1.00 11.34 H new ATOM 0 HB2 GLU A 6 12.303 -9.532 1.109 1.00 74.33 H new ATOM 0 HB3 GLU A 6 11.304 -8.815 -0.138 1.00 74.33 H new ATOM 0 HG2 GLU A 6 13.783 -10.498 -0.621 1.00 13.24 H new ATOM 0 HG3 GLU A 6 12.129 -11.061 -0.756 1.00 13.24 H new ATOM 81 N PHE A 7 12.909 -6.869 2.234 1.00 75.00 N ATOM 82 CA PHE A 7 12.478 -5.903 3.202 1.00 31.05 C ATOM 83 C PHE A 7 13.091 -4.558 2.884 1.00 61.22 C ATOM 84 O PHE A 7 12.406 -3.588 2.902 1.00 53.45 O ATOM 85 CB PHE A 7 12.874 -6.398 4.572 1.00 61.45 C ATOM 86 CG PHE A 7 12.435 -5.585 5.741 1.00 62.44 C ATOM 87 CD1 PHE A 7 11.103 -5.423 6.017 1.00 43.10 C ATOM 88 CD2 PHE A 7 13.363 -5.024 6.587 1.00 31.10 C ATOM 89 CE1 PHE A 7 10.698 -4.706 7.122 1.00 24.41 C ATOM 90 CE2 PHE A 7 12.976 -4.300 7.694 1.00 0.52 C ATOM 91 CZ PHE A 7 11.637 -4.140 7.963 1.00 61.14 C ATOM 0 H PHE A 7 13.474 -7.621 2.628 1.00 75.00 H new ATOM 0 HA PHE A 7 11.396 -5.778 3.177 1.00 31.05 H new ATOM 0 HB2 PHE A 7 12.479 -7.407 4.694 1.00 61.45 H new ATOM 0 HB3 PHE A 7 13.961 -6.475 4.603 1.00 61.45 H new ATOM 0 HD1 PHE A 7 10.364 -5.861 5.363 1.00 43.10 H new ATOM 0 HD2 PHE A 7 14.415 -5.153 6.380 1.00 31.10 H new ATOM 0 HE1 PHE A 7 9.645 -4.586 7.331 1.00 24.41 H new ATOM 0 HE2 PHE A 7 13.718 -3.862 8.345 1.00 0.52 H new ATOM 0 HZ PHE A 7 11.321 -3.575 8.827 1.00 61.14 H new ATOM 101 N ASN A 8 14.360 -4.529 2.493 1.00 51.45 N ATOM 102 CA ASN A 8 15.033 -3.280 2.150 1.00 10.45 C ATOM 103 C ASN A 8 14.376 -2.619 0.935 1.00 24.23 C ATOM 104 O ASN A 8 14.233 -1.397 0.883 1.00 32.41 O ATOM 105 CB ASN A 8 16.540 -3.535 1.928 1.00 50.53 C ATOM 106 CG ASN A 8 17.101 -2.922 0.665 1.00 30.30 C ATOM 107 OD1 ASN A 8 17.538 -1.767 0.633 1.00 72.31 O ATOM 108 ND2 ASN A 8 17.105 -3.706 -0.377 1.00 10.10 N ATOM 0 H ASN A 8 14.946 -5.359 2.405 1.00 51.45 H new ATOM 0 HA ASN A 8 14.932 -2.582 2.981 1.00 10.45 H new ATOM 0 HB2 ASN A 8 17.091 -3.143 2.783 1.00 50.53 H new ATOM 0 HB3 ASN A 8 16.714 -4.611 1.903 1.00 50.53 H new ATOM 0 HD21 ASN A 8 17.480 -3.372 -1.265 1.00 10.10 H new ATOM 0 HD22 ASN A 8 16.733 -4.653 -0.304 1.00 10.10 H new ATOM 115 N ASN A 9 13.931 -3.440 -0.006 1.00 35.11 N ATOM 116 CA ASN A 9 13.234 -2.956 -1.201 1.00 4.45 C ATOM 117 C ASN A 9 11.905 -2.366 -0.800 1.00 63.54 C ATOM 118 O ASN A 9 11.439 -1.376 -1.368 1.00 53.21 O ATOM 119 CB ASN A 9 13.013 -4.086 -2.209 1.00 40.34 C ATOM 120 CG ASN A 9 14.295 -4.595 -2.839 1.00 1.32 C ATOM 121 OD1 ASN A 9 15.256 -3.846 -3.027 1.00 42.31 O ATOM 122 ND2 ASN A 9 14.324 -5.853 -3.176 1.00 72.13 N ATOM 0 H ASN A 9 14.039 -4.454 0.031 1.00 35.11 H new ATOM 0 HA ASN A 9 13.852 -2.194 -1.676 1.00 4.45 H new ATOM 0 HB2 ASN A 9 12.509 -4.914 -1.710 1.00 40.34 H new ATOM 0 HB3 ASN A 9 12.346 -3.735 -2.996 1.00 40.34 H new ATOM 0 HD21 ASN A 9 15.160 -6.246 -3.610 1.00 72.13 H new ATOM 0 HD22 ASN A 9 13.511 -6.445 -3.006 1.00 72.13 H new ATOM 129 N ALA A 10 11.305 -2.980 0.194 1.00 45.30 N ATOM 130 CA ALA A 10 10.071 -2.514 0.760 1.00 60.15 C ATOM 131 C ALA A 10 10.319 -1.211 1.523 1.00 53.33 C ATOM 132 O ALA A 10 9.541 -0.261 1.415 1.00 62.32 O ATOM 133 CB ALA A 10 9.487 -3.587 1.682 1.00 22.21 C ATOM 0 H ALA A 10 11.668 -3.826 0.633 1.00 45.30 H new ATOM 0 HA ALA A 10 9.351 -2.318 -0.035 1.00 60.15 H new ATOM 0 HB1 ALA A 10 8.550 -3.229 2.109 1.00 22.21 H new ATOM 0 HB2 ALA A 10 9.301 -4.496 1.110 1.00 22.21 H new ATOM 0 HB3 ALA A 10 10.193 -3.801 2.484 1.00 22.21 H new ATOM 139 N ILE A 11 11.434 -1.163 2.254 1.00 22.12 N ATOM 140 CA ILE A 11 11.791 -0.002 3.050 1.00 43.50 C ATOM 141 C ILE A 11 12.014 1.194 2.180 1.00 73.14 C ATOM 142 O ILE A 11 11.500 2.232 2.466 1.00 70.34 O ATOM 143 CB ILE A 11 13.048 -0.192 3.944 1.00 25.10 C ATOM 144 CG1 ILE A 11 12.935 -1.437 4.810 1.00 4.11 C ATOM 145 CG2 ILE A 11 13.282 1.037 4.825 1.00 12.42 C ATOM 146 CD1 ILE A 11 11.575 -1.685 5.417 1.00 13.12 C ATOM 0 H ILE A 11 12.108 -1.927 2.307 1.00 22.12 H new ATOM 0 HA ILE A 11 10.939 0.144 3.714 1.00 43.50 H new ATOM 0 HB ILE A 11 13.902 -0.317 3.278 1.00 25.10 H new ATOM 0 HG12 ILE A 11 13.208 -2.303 4.208 1.00 4.11 H new ATOM 0 HG13 ILE A 11 13.666 -1.366 5.616 1.00 4.11 H new ATOM 0 HG21 ILE A 11 14.167 0.880 5.441 1.00 12.42 H new ATOM 0 HG22 ILE A 11 13.430 1.914 4.195 1.00 12.42 H new ATOM 0 HG23 ILE A 11 12.416 1.194 5.468 1.00 12.42 H new ATOM 0 HD11 ILE A 11 11.604 -2.596 6.015 1.00 13.12 H new ATOM 0 HD12 ILE A 11 11.301 -0.843 6.053 1.00 13.12 H new ATOM 0 HD13 ILE A 11 10.837 -1.795 4.623 1.00 13.12 H new ATOM 158 N SER A 12 12.765 1.033 1.106 1.00 33.44 N ATOM 159 CA SER A 12 13.048 2.134 0.199 1.00 5.41 C ATOM 160 C SER A 12 11.768 2.769 -0.353 1.00 14.35 C ATOM 161 O SER A 12 11.669 4.000 -0.447 1.00 25.23 O ATOM 162 CB SER A 12 13.969 1.677 -0.911 1.00 42.54 C ATOM 163 OG SER A 12 15.229 1.271 -0.385 1.00 11.51 O ATOM 0 H SER A 12 13.193 0.146 0.838 1.00 33.44 H new ATOM 0 HA SER A 12 13.557 2.913 0.767 1.00 5.41 H new ATOM 0 HB2 SER A 12 13.511 0.849 -1.452 1.00 42.54 H new ATOM 0 HB3 SER A 12 14.112 2.486 -1.628 1.00 42.54 H new ATOM 0 HG SER A 12 15.126 0.420 0.091 1.00 11.51 H new ATOM 169 N TYR A 13 10.782 1.936 -0.671 1.00 52.34 N ATOM 170 CA TYR A 13 9.494 2.423 -1.117 1.00 13.11 C ATOM 171 C TYR A 13 8.809 3.208 0.008 1.00 2.50 C ATOM 172 O TYR A 13 8.349 4.335 -0.195 1.00 0.32 O ATOM 173 CB TYR A 13 8.601 1.258 -1.604 1.00 25.43 C ATOM 174 CG TYR A 13 7.163 1.663 -1.877 1.00 25.44 C ATOM 175 CD1 TYR A 13 6.842 2.502 -2.933 1.00 60.20 C ATOM 176 CD2 TYR A 13 6.128 1.215 -1.058 1.00 23.04 C ATOM 177 CE1 TYR A 13 5.538 2.888 -3.162 1.00 43.34 C ATOM 178 CE2 TYR A 13 4.822 1.593 -1.287 1.00 54.33 C ATOM 179 CZ TYR A 13 4.533 2.432 -2.338 1.00 24.10 C ATOM 180 OH TYR A 13 3.234 2.828 -2.557 1.00 35.35 O ATOM 0 H TYR A 13 10.857 0.920 -0.626 1.00 52.34 H new ATOM 0 HA TYR A 13 9.650 3.094 -1.962 1.00 13.11 H new ATOM 0 HB2 TYR A 13 9.030 0.839 -2.514 1.00 25.43 H new ATOM 0 HB3 TYR A 13 8.610 0.467 -0.854 1.00 25.43 H new ATOM 0 HD1 TYR A 13 7.625 2.859 -3.586 1.00 60.20 H new ATOM 0 HD2 TYR A 13 6.353 0.560 -0.229 1.00 23.04 H new ATOM 0 HE1 TYR A 13 5.305 3.547 -3.986 1.00 43.34 H new ATOM 0 HE2 TYR A 13 4.031 1.233 -0.646 1.00 54.33 H new ATOM 0 HH TYR A 13 3.215 3.513 -3.257 1.00 35.35 H new ATOM 190 N VAL A 14 8.789 2.627 1.189 1.00 3.02 N ATOM 191 CA VAL A 14 8.156 3.241 2.340 1.00 22.31 C ATOM 192 C VAL A 14 8.883 4.527 2.775 1.00 12.33 C ATOM 193 O VAL A 14 8.254 5.548 2.982 1.00 30.31 O ATOM 194 CB VAL A 14 8.046 2.251 3.530 1.00 24.24 C ATOM 195 CG1 VAL A 14 7.474 2.952 4.740 1.00 33.33 C ATOM 196 CG2 VAL A 14 7.162 1.068 3.155 1.00 63.41 C ATOM 0 H VAL A 14 9.210 1.718 1.379 1.00 3.02 H new ATOM 0 HA VAL A 14 7.147 3.514 2.032 1.00 22.31 H new ATOM 0 HB VAL A 14 9.045 1.885 3.769 1.00 24.24 H new ATOM 0 HG11 VAL A 14 7.402 2.247 5.568 1.00 33.33 H new ATOM 0 HG12 VAL A 14 8.125 3.779 5.023 1.00 33.33 H new ATOM 0 HG13 VAL A 14 6.482 3.336 4.503 1.00 33.33 H new ATOM 0 HG21 VAL A 14 7.094 0.382 4.000 1.00 63.41 H new ATOM 0 HG22 VAL A 14 6.165 1.426 2.897 1.00 63.41 H new ATOM 0 HG23 VAL A 14 7.593 0.548 2.299 1.00 63.41 H new ATOM 206 N ASN A 15 10.201 4.460 2.864 1.00 74.32 N ATOM 207 CA ASN A 15 11.071 5.540 3.279 1.00 35.53 C ATOM 208 C ASN A 15 10.888 6.760 2.402 1.00 4.05 C ATOM 209 O ASN A 15 10.959 7.907 2.870 1.00 41.12 O ATOM 210 CB ASN A 15 12.475 5.027 3.128 1.00 12.43 C ATOM 211 CG ASN A 15 13.542 5.978 3.531 1.00 12.43 C ATOM 212 OD1 ASN A 15 13.382 6.803 4.428 1.00 61.45 O ATOM 213 ND2 ASN A 15 14.624 5.890 2.863 1.00 44.45 N ATOM 0 H ASN A 15 10.715 3.609 2.637 1.00 74.32 H new ATOM 0 HA ASN A 15 10.846 5.838 4.303 1.00 35.53 H new ATOM 0 HB2 ASN A 15 12.578 4.118 3.720 1.00 12.43 H new ATOM 0 HB3 ASN A 15 12.633 4.749 2.086 1.00 12.43 H new ATOM 0 HD21 ASN A 15 15.401 6.520 3.065 1.00 44.45 H new ATOM 0 HD22 ASN A 15 14.713 5.190 2.127 1.00 44.45 H new ATOM 220 N LYS A 16 10.673 6.505 1.139 1.00 24.10 N ATOM 221 CA LYS A 16 10.433 7.520 0.174 1.00 44.31 C ATOM 222 C LYS A 16 9.138 8.256 0.534 1.00 23.01 C ATOM 223 O LYS A 16 9.105 9.488 0.576 1.00 24.34 O ATOM 224 CB LYS A 16 10.323 6.827 -1.146 1.00 53.41 C ATOM 225 CG LYS A 16 10.255 7.703 -2.348 1.00 70.34 C ATOM 226 CD LYS A 16 10.164 6.840 -3.582 1.00 74.42 C ATOM 227 CE LYS A 16 11.383 5.966 -3.762 1.00 71.21 C ATOM 228 NZ LYS A 16 11.402 5.292 -5.070 1.00 73.32 N ATOM 0 H LYS A 16 10.662 5.561 0.753 1.00 24.10 H new ATOM 0 HA LYS A 16 11.231 8.262 0.141 1.00 44.31 H new ATOM 0 HB2 LYS A 16 11.180 6.162 -1.256 1.00 53.41 H new ATOM 0 HB3 LYS A 16 9.432 6.199 -1.129 1.00 53.41 H new ATOM 0 HG2 LYS A 16 9.389 8.362 -2.285 1.00 70.34 H new ATOM 0 HG3 LYS A 16 11.137 8.341 -2.399 1.00 70.34 H new ATOM 0 HD2 LYS A 16 9.276 6.212 -3.518 1.00 74.42 H new ATOM 0 HD3 LYS A 16 10.043 7.476 -4.459 1.00 74.42 H new ATOM 0 HE2 LYS A 16 12.281 6.574 -3.657 1.00 71.21 H new ATOM 0 HE3 LYS A 16 11.410 5.217 -2.970 1.00 71.21 H new ATOM 0 HZ1 LYS A 16 12.170 4.591 -5.088 1.00 73.32 H new ATOM 0 HZ2 LYS A 16 10.492 4.813 -5.227 1.00 73.32 H new ATOM 0 HZ3 LYS A 16 11.557 5.995 -5.821 1.00 73.32 H new ATOM 242 N ILE A 17 8.105 7.480 0.856 1.00 4.10 N ATOM 243 CA ILE A 17 6.820 7.996 1.280 1.00 73.10 C ATOM 244 C ILE A 17 6.987 8.828 2.552 1.00 70.53 C ATOM 245 O ILE A 17 6.535 9.975 2.613 1.00 70.23 O ATOM 246 CB ILE A 17 5.844 6.834 1.601 1.00 25.41 C ATOM 247 CG1 ILE A 17 5.596 5.941 0.384 1.00 21.42 C ATOM 248 CG2 ILE A 17 4.544 7.365 2.154 1.00 34.44 C ATOM 249 CD1 ILE A 17 4.721 4.740 0.691 1.00 35.23 C ATOM 0 H ILE A 17 8.145 6.461 0.827 1.00 4.10 H new ATOM 0 HA ILE A 17 6.421 8.606 0.469 1.00 73.10 H new ATOM 0 HB ILE A 17 6.316 6.214 2.363 1.00 25.41 H new ATOM 0 HG12 ILE A 17 5.127 6.532 -0.403 1.00 21.42 H new ATOM 0 HG13 ILE A 17 6.553 5.595 -0.005 1.00 21.42 H new ATOM 0 HG21 ILE A 17 3.874 6.533 2.372 1.00 34.44 H new ATOM 0 HG22 ILE A 17 4.739 7.923 3.070 1.00 34.44 H new ATOM 0 HG23 ILE A 17 4.078 8.023 1.420 1.00 34.44 H new ATOM 0 HD11 ILE A 17 4.584 4.148 -0.214 1.00 35.23 H new ATOM 0 HD12 ILE A 17 5.199 4.128 1.456 1.00 35.23 H new ATOM 0 HD13 ILE A 17 3.750 5.080 1.052 1.00 35.23 H new ATOM 261 N LYS A 18 7.667 8.232 3.547 1.00 12.24 N ATOM 262 CA LYS A 18 7.890 8.824 4.861 1.00 33.45 C ATOM 263 C LYS A 18 8.395 10.256 4.750 1.00 13.22 C ATOM 264 O LYS A 18 7.848 11.134 5.339 1.00 63.44 O ATOM 265 CB LYS A 18 8.924 8.007 5.634 1.00 2.15 C ATOM 266 CG LYS A 18 8.569 6.549 5.816 1.00 62.43 C ATOM 267 CD LYS A 18 9.592 5.803 6.617 1.00 13.51 C ATOM 268 CE LYS A 18 9.463 6.207 8.020 1.00 25.10 C ATOM 269 NZ LYS A 18 10.366 5.469 8.916 1.00 65.41 N ATOM 0 H LYS A 18 8.082 7.306 3.450 1.00 12.24 H new ATOM 0 HA LYS A 18 6.934 8.824 5.384 1.00 33.45 H new ATOM 0 HB2 LYS A 18 9.880 8.072 5.115 1.00 2.15 H new ATOM 0 HB3 LYS A 18 9.063 8.458 6.616 1.00 2.15 H new ATOM 0 HG2 LYS A 18 7.600 6.474 6.310 1.00 62.43 H new ATOM 0 HG3 LYS A 18 8.465 6.079 4.838 1.00 62.43 H new ATOM 0 HD2 LYS A 18 9.443 4.728 6.516 1.00 13.51 H new ATOM 0 HD3 LYS A 18 10.595 6.021 6.250 1.00 13.51 H new ATOM 0 HE2 LYS A 18 9.668 7.274 8.105 1.00 25.10 H new ATOM 0 HE3 LYS A 18 8.434 6.053 8.343 1.00 25.10 H new ATOM 0 HZ1 LYS A 18 10.230 5.797 9.893 1.00 65.41 H new ATOM 0 HZ2 LYS A 18 10.156 4.452 8.860 1.00 65.41 H new ATOM 0 HZ3 LYS A 18 11.352 5.635 8.629 1.00 65.41 H new ATOM 283 N THR A 19 9.423 10.455 3.951 1.00 64.10 N ATOM 284 CA THR A 19 10.040 11.731 3.740 1.00 23.14 C ATOM 285 C THR A 19 9.128 12.700 2.951 1.00 35.33 C ATOM 286 O THR A 19 9.085 13.901 3.223 1.00 45.10 O ATOM 287 CB THR A 19 11.339 11.457 2.968 1.00 14.33 C ATOM 288 OG1 THR A 19 12.334 10.853 3.808 1.00 14.12 O ATOM 289 CG2 THR A 19 11.865 12.656 2.241 1.00 64.24 C ATOM 0 H THR A 19 9.860 9.703 3.417 1.00 64.10 H new ATOM 0 HA THR A 19 10.232 12.219 4.695 1.00 23.14 H new ATOM 0 HB THR A 19 11.083 10.737 2.191 1.00 14.33 H new ATOM 0 HG1 THR A 19 13.147 10.690 3.286 1.00 14.12 H new ATOM 0 HG21 THR A 19 12.784 12.390 1.718 1.00 64.24 H new ATOM 0 HG22 THR A 19 11.123 12.999 1.520 1.00 64.24 H new ATOM 0 HG23 THR A 19 12.072 13.453 2.955 1.00 64.24 H new ATOM 297 N ARG A 20 8.397 12.180 2.021 1.00 11.40 N ATOM 298 CA ARG A 20 7.585 12.992 1.139 1.00 50.40 C ATOM 299 C ARG A 20 6.321 13.504 1.792 1.00 41.25 C ATOM 300 O ARG A 20 5.719 14.473 1.331 1.00 23.43 O ATOM 301 CB ARG A 20 7.319 12.224 -0.134 1.00 20.02 C ATOM 302 CG ARG A 20 8.540 12.172 -1.068 1.00 4.13 C ATOM 303 CD ARG A 20 8.766 13.482 -1.835 1.00 14.13 C ATOM 304 NE ARG A 20 9.059 14.649 -0.975 1.00 62.21 N ATOM 305 CZ ARG A 20 8.794 15.925 -1.314 1.00 20.31 C ATOM 306 NH1 ARG A 20 8.310 16.211 -2.520 1.00 44.15 N ATOM 307 NH2 ARG A 20 9.032 16.908 -0.455 1.00 44.20 N ATOM 0 H ARG A 20 8.337 11.178 1.841 1.00 11.40 H new ATOM 0 HA ARG A 20 8.143 13.896 0.894 1.00 50.40 H new ATOM 0 HB2 ARG A 20 7.017 11.207 0.117 1.00 20.02 H new ATOM 0 HB3 ARG A 20 6.483 12.684 -0.662 1.00 20.02 H new ATOM 0 HG2 ARG A 20 9.430 11.943 -0.481 1.00 4.13 H new ATOM 0 HG3 ARG A 20 8.410 11.358 -1.781 1.00 4.13 H new ATOM 0 HD2 ARG A 20 9.592 13.343 -2.532 1.00 14.13 H new ATOM 0 HD3 ARG A 20 7.879 13.698 -2.431 1.00 14.13 H new ATOM 0 HE ARG A 20 9.490 14.476 -0.067 1.00 62.21 H new ATOM 0 HH11 ARG A 20 8.138 15.462 -3.191 1.00 44.15 H new ATOM 0 HH12 ARG A 20 8.110 17.179 -2.773 1.00 44.15 H new ATOM 0 HH21 ARG A 20 9.417 16.698 0.466 1.00 44.20 H new ATOM 0 HH22 ARG A 20 8.830 17.873 -0.716 1.00 44.20 H new ATOM 321 N PHE A 21 5.937 12.861 2.848 1.00 35.22 N ATOM 322 CA PHE A 21 4.766 13.226 3.610 1.00 13.40 C ATOM 323 C PHE A 21 5.169 13.255 5.071 1.00 21.03 C ATOM 324 O PHE A 21 4.387 12.966 5.971 1.00 21.34 O ATOM 325 CB PHE A 21 3.665 12.199 3.359 1.00 64.05 C ATOM 326 CG PHE A 21 3.269 12.097 1.906 1.00 32.44 C ATOM 327 CD1 PHE A 21 2.307 12.936 1.376 1.00 2.42 C ATOM 328 CD2 PHE A 21 3.854 11.152 1.075 1.00 23.11 C ATOM 329 CE1 PHE A 21 1.935 12.838 0.054 1.00 15.02 C ATOM 330 CE2 PHE A 21 3.491 11.044 -0.238 1.00 2.13 C ATOM 331 CZ PHE A 21 2.525 11.891 -0.757 1.00 31.43 C ATOM 0 H PHE A 21 6.432 12.050 3.219 1.00 35.22 H new ATOM 0 HA PHE A 21 4.383 14.203 3.317 1.00 13.40 H new ATOM 0 HB2 PHE A 21 4.002 11.222 3.707 1.00 64.05 H new ATOM 0 HB3 PHE A 21 2.788 12.463 3.950 1.00 64.05 H new ATOM 0 HD1 PHE A 21 1.841 13.678 2.007 1.00 2.42 H new ATOM 0 HD2 PHE A 21 4.609 10.490 1.473 1.00 23.11 H new ATOM 0 HE1 PHE A 21 1.183 13.501 -0.347 1.00 15.02 H new ATOM 0 HE2 PHE A 21 3.956 10.301 -0.869 1.00 2.13 H new ATOM 0 HZ PHE A 21 2.235 11.810 -1.794 1.00 31.43 H new ATOM 341 N LEU A 22 6.401 13.683 5.270 1.00 33.32 N ATOM 342 CA LEU A 22 7.087 13.676 6.555 1.00 5.33 C ATOM 343 C LEU A 22 6.398 14.565 7.594 1.00 53.34 C ATOM 344 O LEU A 22 6.440 14.287 8.793 1.00 1.41 O ATOM 345 CB LEU A 22 8.543 14.132 6.330 1.00 44.13 C ATOM 346 CG LEU A 22 9.660 13.302 6.931 1.00 13.05 C ATOM 347 CD1 LEU A 22 10.999 13.980 6.721 1.00 52.21 C ATOM 348 CD2 LEU A 22 9.419 13.045 8.362 1.00 55.42 C ATOM 0 H LEU A 22 6.975 14.059 4.516 1.00 33.32 H new ATOM 0 HA LEU A 22 7.060 12.663 6.957 1.00 5.33 H new ATOM 0 HB2 LEU A 22 8.711 14.186 5.254 1.00 44.13 H new ATOM 0 HB3 LEU A 22 8.637 15.146 6.719 1.00 44.13 H new ATOM 0 HG LEU A 22 9.680 12.340 6.420 1.00 13.05 H new ATOM 0 HD11 LEU A 22 11.789 13.370 7.159 1.00 52.21 H new ATOM 0 HD12 LEU A 22 11.183 14.099 5.653 1.00 52.21 H new ATOM 0 HD13 LEU A 22 10.990 14.959 7.199 1.00 52.21 H new ATOM 0 HD21 LEU A 22 10.236 12.448 8.767 1.00 55.42 H new ATOM 0 HD22 LEU A 22 9.362 13.993 8.897 1.00 55.42 H new ATOM 0 HD23 LEU A 22 8.480 12.504 8.481 1.00 55.42 H new ATOM 360 N ASP A 23 5.743 15.603 7.142 1.00 22.12 N ATOM 361 CA ASP A 23 5.099 16.540 8.056 1.00 62.20 C ATOM 362 C ASP A 23 3.638 16.166 8.243 1.00 5.22 C ATOM 363 O ASP A 23 2.914 16.769 9.034 1.00 52.13 O ATOM 364 CB ASP A 23 5.219 17.982 7.526 1.00 15.13 C ATOM 365 CG ASP A 23 4.782 19.032 8.539 1.00 3.40 C ATOM 366 OD1 ASP A 23 5.484 19.203 9.576 1.00 62.52 O ATOM 367 OD2 ASP A 23 3.755 19.692 8.336 1.00 5.24 O ATOM 0 H ASP A 23 5.636 15.829 6.153 1.00 22.12 H new ATOM 0 HA ASP A 23 5.603 16.486 9.021 1.00 62.20 H new ATOM 0 HB2 ASP A 23 6.253 18.172 7.239 1.00 15.13 H new ATOM 0 HB3 ASP A 23 4.614 18.082 6.625 1.00 15.13 H new ATOM 372 N HIS A 24 3.214 15.140 7.548 1.00 14.33 N ATOM 373 CA HIS A 24 1.830 14.741 7.570 1.00 53.22 C ATOM 374 C HIS A 24 1.679 13.293 7.992 1.00 61.24 C ATOM 375 O HIS A 24 1.637 12.390 7.143 1.00 0.31 O ATOM 376 CB HIS A 24 1.183 14.958 6.205 1.00 2.12 C ATOM 377 CG HIS A 24 1.087 16.388 5.781 1.00 23.21 C ATOM 378 ND1 HIS A 24 2.094 17.075 5.144 1.00 22.22 N ATOM 379 CD2 HIS A 24 0.073 17.261 5.920 1.00 72.30 C ATOM 380 CE1 HIS A 24 1.674 18.319 4.924 1.00 74.44 C ATOM 381 NE2 HIS A 24 0.445 18.490 5.376 1.00 23.23 N ATOM 0 H HIS A 24 3.812 14.563 6.957 1.00 14.33 H new ATOM 0 HA HIS A 24 1.321 15.365 8.305 1.00 53.22 H new ATOM 0 HB2 HIS A 24 1.753 14.408 5.456 1.00 2.12 H new ATOM 0 HB3 HIS A 24 0.181 14.529 6.221 1.00 2.12 H new ATOM 0 HD2 HIS A 24 -0.880 17.044 6.381 1.00 72.30 H new ATOM 0 HE1 HIS A 24 2.260 19.086 4.440 1.00 74.44 H new ATOM 0 HE2 HIS A 24 -0.115 19.342 5.336 1.00 23.23 H new ATOM 389 N PRO A 25 1.590 13.034 9.309 1.00 72.45 N ATOM 390 CA PRO A 25 1.465 11.677 9.834 1.00 15.54 C ATOM 391 C PRO A 25 0.194 11.009 9.334 1.00 20.41 C ATOM 392 O PRO A 25 0.200 9.839 8.996 1.00 72.20 O ATOM 393 CB PRO A 25 1.404 11.875 11.357 1.00 73.10 C ATOM 394 CG PRO A 25 1.998 13.219 11.589 1.00 41.14 C ATOM 395 CD PRO A 25 1.616 14.037 10.396 1.00 62.35 C ATOM 0 HA PRO A 25 2.287 11.034 9.519 1.00 15.54 H new ATOM 0 HB2 PRO A 25 0.378 11.828 11.721 1.00 73.10 H new ATOM 0 HB3 PRO A 25 1.964 11.099 11.880 1.00 73.10 H new ATOM 0 HG2 PRO A 25 1.616 13.663 12.508 1.00 41.14 H new ATOM 0 HG3 PRO A 25 3.081 13.157 11.691 1.00 41.14 H new ATOM 0 HD2 PRO A 25 0.646 14.517 10.528 1.00 62.35 H new ATOM 0 HD3 PRO A 25 2.339 14.829 10.199 1.00 62.35 H new ATOM 403 N GLU A 26 -0.872 11.803 9.217 1.00 4.14 N ATOM 404 CA GLU A 26 -2.189 11.335 8.810 1.00 12.35 C ATOM 405 C GLU A 26 -2.170 10.709 7.396 1.00 61.41 C ATOM 406 O GLU A 26 -2.886 9.762 7.138 1.00 4.03 O ATOM 407 CB GLU A 26 -3.176 12.502 8.856 1.00 10.25 C ATOM 408 CG GLU A 26 -2.932 13.554 7.798 1.00 1.31 C ATOM 409 CD GLU A 26 -3.850 14.733 7.912 1.00 2.13 C ATOM 410 OE1 GLU A 26 -5.072 14.570 7.754 1.00 64.40 O ATOM 411 OE2 GLU A 26 -3.371 15.853 8.182 1.00 42.00 O ATOM 0 H GLU A 26 -0.839 12.805 9.407 1.00 4.14 H new ATOM 0 HA GLU A 26 -2.501 10.555 9.504 1.00 12.35 H new ATOM 0 HB2 GLU A 26 -4.188 12.114 8.741 1.00 10.25 H new ATOM 0 HB3 GLU A 26 -3.124 12.970 9.839 1.00 10.25 H new ATOM 0 HG2 GLU A 26 -1.900 13.898 7.868 1.00 1.31 H new ATOM 0 HG3 GLU A 26 -3.051 13.103 6.813 1.00 1.31 H new ATOM 418 N ILE A 27 -1.330 11.231 6.510 1.00 64.11 N ATOM 419 CA ILE A 27 -1.235 10.736 5.146 1.00 24.52 C ATOM 420 C ILE A 27 -0.595 9.363 5.131 1.00 1.15 C ATOM 421 O ILE A 27 -1.107 8.432 4.504 1.00 53.31 O ATOM 422 CB ILE A 27 -0.446 11.736 4.275 1.00 21.14 C ATOM 423 CG1 ILE A 27 -1.245 13.046 4.207 1.00 63.24 C ATOM 424 CG2 ILE A 27 -0.159 11.177 2.881 1.00 4.05 C ATOM 425 CD1 ILE A 27 -0.655 14.093 3.310 1.00 63.13 C ATOM 0 H ILE A 27 -0.699 12.005 6.717 1.00 64.11 H new ATOM 0 HA ILE A 27 -2.237 10.641 4.727 1.00 24.52 H new ATOM 0 HB ILE A 27 0.528 11.922 4.727 1.00 21.14 H new ATOM 0 HG12 ILE A 27 -2.256 12.822 3.866 1.00 63.24 H new ATOM 0 HG13 ILE A 27 -1.332 13.456 5.213 1.00 63.24 H new ATOM 0 HG21 ILE A 27 0.398 11.913 2.301 1.00 4.05 H new ATOM 0 HG22 ILE A 27 0.430 10.264 2.969 1.00 4.05 H new ATOM 0 HG23 ILE A 27 -1.100 10.955 2.377 1.00 4.05 H new ATOM 0 HD11 ILE A 27 -1.286 14.982 3.324 1.00 63.13 H new ATOM 0 HD12 ILE A 27 0.344 14.351 3.660 1.00 63.13 H new ATOM 0 HD13 ILE A 27 -0.594 13.708 2.292 1.00 63.13 H new ATOM 437 N TYR A 28 0.486 9.240 5.873 1.00 73.34 N ATOM 438 CA TYR A 28 1.196 7.980 6.030 1.00 42.02 C ATOM 439 C TYR A 28 0.219 6.975 6.655 1.00 72.14 C ATOM 440 O TYR A 28 -0.005 5.878 6.149 1.00 52.01 O ATOM 441 CB TYR A 28 2.370 8.221 6.991 1.00 51.00 C ATOM 442 CG TYR A 28 3.388 7.104 7.080 1.00 64.33 C ATOM 443 CD1 TYR A 28 4.358 6.920 6.092 1.00 12.30 C ATOM 444 CD2 TYR A 28 3.375 6.230 8.149 1.00 74.53 C ATOM 445 CE1 TYR A 28 5.266 5.889 6.184 1.00 65.31 C ATOM 446 CE2 TYR A 28 4.287 5.206 8.248 1.00 62.14 C ATOM 447 CZ TYR A 28 5.224 5.035 7.274 1.00 11.23 C ATOM 448 OH TYR A 28 6.118 3.994 7.380 1.00 11.32 O ATOM 0 H TYR A 28 0.902 10.015 6.389 1.00 73.34 H new ATOM 0 HA TYR A 28 1.567 7.601 5.078 1.00 42.02 H new ATOM 0 HB2 TYR A 28 2.884 9.132 6.685 1.00 51.00 H new ATOM 0 HB3 TYR A 28 1.968 8.401 7.988 1.00 51.00 H new ATOM 0 HD1 TYR A 28 4.396 7.593 5.248 1.00 12.30 H new ATOM 0 HD2 TYR A 28 2.633 6.353 8.924 1.00 74.53 H new ATOM 0 HE1 TYR A 28 6.007 5.747 5.411 1.00 65.31 H new ATOM 0 HE2 TYR A 28 4.261 4.538 9.096 1.00 62.14 H new ATOM 0 HH TYR A 28 5.946 3.498 8.207 1.00 11.32 H new ATOM 458 N ARG A 29 -0.396 7.442 7.713 1.00 31.24 N ATOM 459 CA ARG A 29 -1.353 6.741 8.532 1.00 11.53 C ATOM 460 C ARG A 29 -2.544 6.176 7.730 1.00 54.10 C ATOM 461 O ARG A 29 -2.846 4.989 7.807 1.00 40.45 O ATOM 462 CB ARG A 29 -1.894 7.741 9.460 1.00 44.23 C ATOM 463 CG ARG A 29 -2.646 7.168 10.553 1.00 15.05 C ATOM 464 CD ARG A 29 -3.698 8.106 10.951 1.00 53.11 C ATOM 465 NE ARG A 29 -4.754 8.160 9.927 1.00 75.41 N ATOM 466 CZ ARG A 29 -5.895 7.452 9.961 1.00 50.24 C ATOM 467 NH1 ARG A 29 -6.257 6.797 11.068 1.00 41.44 N ATOM 468 NH2 ARG A 29 -6.681 7.431 8.897 1.00 73.02 N ATOM 0 H ARG A 29 -0.228 8.391 8.048 1.00 31.24 H new ATOM 0 HA ARG A 29 -0.852 5.899 9.010 1.00 11.53 H new ATOM 0 HB2 ARG A 29 -1.072 8.331 9.865 1.00 44.23 H new ATOM 0 HB3 ARG A 29 -2.537 8.427 8.908 1.00 44.23 H new ATOM 0 HG2 ARG A 29 -3.084 6.217 10.251 1.00 15.05 H new ATOM 0 HG3 ARG A 29 -1.987 6.962 11.396 1.00 15.05 H new ATOM 0 HD2 ARG A 29 -4.125 7.800 11.906 1.00 53.11 H new ATOM 0 HD3 ARG A 29 -3.272 9.099 11.096 1.00 53.11 H new ATOM 0 HE ARG A 29 -4.608 8.782 9.132 1.00 75.41 H new ATOM 0 HH11 ARG A 29 -5.665 6.832 11.898 1.00 41.44 H new ATOM 0 HH12 ARG A 29 -7.125 6.262 11.083 1.00 41.44 H new ATOM 0 HH21 ARG A 29 -6.419 7.950 8.059 1.00 73.02 H new ATOM 0 HH22 ARG A 29 -7.549 6.896 8.915 1.00 73.02 H new ATOM 482 N SER A 30 -3.227 7.042 6.991 1.00 10.34 N ATOM 483 CA SER A 30 -4.400 6.651 6.231 1.00 34.13 C ATOM 484 C SER A 30 -4.060 5.659 5.147 1.00 1.02 C ATOM 485 O SER A 30 -4.880 4.851 4.758 1.00 61.44 O ATOM 486 CB SER A 30 -5.110 7.867 5.672 1.00 74.34 C ATOM 487 OG SER A 30 -5.533 8.712 6.728 1.00 24.13 O ATOM 0 H SER A 30 -2.982 8.028 6.904 1.00 10.34 H new ATOM 0 HA SER A 30 -5.085 6.149 6.915 1.00 34.13 H new ATOM 0 HB2 SER A 30 -4.443 8.412 5.004 1.00 74.34 H new ATOM 0 HB3 SER A 30 -5.970 7.555 5.079 1.00 74.34 H new ATOM 0 HG SER A 30 -4.766 9.216 7.071 1.00 24.13 H new ATOM 493 N PHE A 31 -2.868 5.725 4.642 1.00 24.03 N ATOM 494 CA PHE A 31 -2.453 4.742 3.705 1.00 0.24 C ATOM 495 C PHE A 31 -2.159 3.414 4.406 1.00 2.23 C ATOM 496 O PHE A 31 -2.497 2.338 3.894 1.00 45.14 O ATOM 497 CB PHE A 31 -1.291 5.225 2.859 1.00 55.13 C ATOM 498 CG PHE A 31 -0.555 4.090 2.237 1.00 71.32 C ATOM 499 CD1 PHE A 31 -1.079 3.435 1.142 1.00 2.51 C ATOM 500 CD2 PHE A 31 0.628 3.634 2.795 1.00 43.21 C ATOM 501 CE1 PHE A 31 -0.442 2.354 0.601 1.00 23.32 C ATOM 502 CE2 PHE A 31 1.280 2.546 2.267 1.00 12.22 C ATOM 503 CZ PHE A 31 0.745 1.897 1.163 1.00 21.05 C ATOM 0 H PHE A 31 -2.176 6.442 4.862 1.00 24.03 H new ATOM 0 HA PHE A 31 -3.276 4.565 3.013 1.00 0.24 H new ATOM 0 HB2 PHE A 31 -1.660 5.891 2.079 1.00 55.13 H new ATOM 0 HB3 PHE A 31 -0.608 5.807 3.477 1.00 55.13 H new ATOM 0 HD1 PHE A 31 -2.005 3.781 0.707 1.00 2.51 H new ATOM 0 HD2 PHE A 31 1.042 4.139 3.655 1.00 43.21 H new ATOM 0 HE1 PHE A 31 -0.860 1.856 -0.261 1.00 23.32 H new ATOM 0 HE2 PHE A 31 2.202 2.198 2.708 1.00 12.22 H new ATOM 0 HZ PHE A 31 1.249 1.040 0.742 1.00 21.05 H new ATOM 513 N LEU A 32 -1.537 3.494 5.562 1.00 2.35 N ATOM 514 CA LEU A 32 -1.254 2.331 6.381 1.00 32.51 C ATOM 515 C LEU A 32 -2.524 1.566 6.696 1.00 42.12 C ATOM 516 O LEU A 32 -2.531 0.323 6.708 1.00 3.33 O ATOM 517 CB LEU A 32 -0.594 2.769 7.672 1.00 50.15 C ATOM 518 CG LEU A 32 0.808 3.319 7.579 1.00 0.34 C ATOM 519 CD1 LEU A 32 1.277 3.667 8.959 1.00 14.20 C ATOM 520 CD2 LEU A 32 1.763 2.334 6.897 1.00 10.22 C ATOM 0 H LEU A 32 -1.210 4.373 5.964 1.00 2.35 H new ATOM 0 HA LEU A 32 -0.585 1.674 5.826 1.00 32.51 H new ATOM 0 HB2 LEU A 32 -1.225 3.529 8.133 1.00 50.15 H new ATOM 0 HB3 LEU A 32 -0.577 1.915 8.349 1.00 50.15 H new ATOM 0 HG LEU A 32 0.800 4.215 6.958 1.00 0.34 H new ATOM 0 HD11 LEU A 32 2.290 4.066 8.909 1.00 14.20 H new ATOM 0 HD12 LEU A 32 0.613 4.415 9.391 1.00 14.20 H new ATOM 0 HD13 LEU A 32 1.270 2.773 9.582 1.00 14.20 H new ATOM 0 HD21 LEU A 32 2.762 2.769 6.850 1.00 10.22 H new ATOM 0 HD22 LEU A 32 1.797 1.406 7.468 1.00 10.22 H new ATOM 0 HD23 LEU A 32 1.410 2.126 5.887 1.00 10.22 H new ATOM 532 N GLU A 33 -3.604 2.304 6.912 1.00 11.51 N ATOM 533 CA GLU A 33 -4.876 1.703 7.213 1.00 44.24 C ATOM 534 C GLU A 33 -5.356 0.880 6.004 1.00 35.13 C ATOM 535 O GLU A 33 -5.928 -0.182 6.170 1.00 74.33 O ATOM 536 CB GLU A 33 -5.918 2.775 7.631 1.00 63.53 C ATOM 537 CG GLU A 33 -6.764 3.362 6.503 1.00 71.11 C ATOM 538 CD GLU A 33 -7.759 4.395 6.977 1.00 64.12 C ATOM 539 OE1 GLU A 33 -8.741 4.027 7.659 1.00 2.05 O ATOM 540 OE2 GLU A 33 -7.605 5.585 6.659 1.00 31.13 O ATOM 0 H GLU A 33 -3.614 3.324 6.882 1.00 11.51 H new ATOM 0 HA GLU A 33 -4.760 1.031 8.063 1.00 44.24 H new ATOM 0 HB2 GLU A 33 -6.588 2.334 8.369 1.00 63.53 H new ATOM 0 HB3 GLU A 33 -5.392 3.591 8.126 1.00 63.53 H new ATOM 0 HG2 GLU A 33 -6.105 3.815 5.762 1.00 71.11 H new ATOM 0 HG3 GLU A 33 -7.299 2.555 6.002 1.00 71.11 H new ATOM 547 N ILE A 34 -5.042 1.361 4.792 1.00 1.10 N ATOM 548 CA ILE A 34 -5.416 0.723 3.557 1.00 52.13 C ATOM 549 C ILE A 34 -4.645 -0.559 3.382 1.00 63.32 C ATOM 550 O ILE A 34 -5.208 -1.573 3.027 1.00 13.44 O ATOM 551 CB ILE A 34 -5.122 1.655 2.359 1.00 11.52 C ATOM 552 CG1 ILE A 34 -5.906 2.945 2.502 1.00 42.40 C ATOM 553 CG2 ILE A 34 -5.437 0.968 1.037 1.00 43.22 C ATOM 554 CD1 ILE A 34 -5.529 3.998 1.500 1.00 5.13 C ATOM 0 H ILE A 34 -4.511 2.221 4.659 1.00 1.10 H new ATOM 0 HA ILE A 34 -6.484 0.507 3.594 1.00 52.13 H new ATOM 0 HB ILE A 34 -4.058 1.892 2.358 1.00 11.52 H new ATOM 0 HG12 ILE A 34 -6.969 2.726 2.402 1.00 42.40 H new ATOM 0 HG13 ILE A 34 -5.755 3.342 3.506 1.00 42.40 H new ATOM 0 HG21 ILE A 34 -5.220 1.648 0.213 1.00 43.22 H new ATOM 0 HG22 ILE A 34 -4.825 0.071 0.938 1.00 43.22 H new ATOM 0 HG23 ILE A 34 -6.491 0.692 1.012 1.00 43.22 H new ATOM 0 HD11 ILE A 34 -6.132 4.891 1.666 1.00 5.13 H new ATOM 0 HD12 ILE A 34 -4.474 4.247 1.613 1.00 5.13 H new ATOM 0 HD13 ILE A 34 -5.707 3.622 0.493 1.00 5.13 H new ATOM 566 N LEU A 35 -3.361 -0.519 3.653 1.00 12.13 N ATOM 567 CA LEU A 35 -2.528 -1.670 3.475 1.00 13.12 C ATOM 568 C LEU A 35 -2.940 -2.769 4.466 1.00 43.02 C ATOM 569 O LEU A 35 -3.031 -3.930 4.086 1.00 23.23 O ATOM 570 CB LEU A 35 -1.071 -1.256 3.637 1.00 62.11 C ATOM 571 CG LEU A 35 -0.022 -2.006 2.799 1.00 72.55 C ATOM 572 CD1 LEU A 35 0.088 -3.479 3.171 1.00 31.33 C ATOM 573 CD2 LEU A 35 -0.304 -1.851 1.306 1.00 12.41 C ATOM 0 H LEU A 35 -2.874 0.308 4.000 1.00 12.13 H new ATOM 0 HA LEU A 35 -2.650 -2.082 2.473 1.00 13.12 H new ATOM 0 HB2 LEU A 35 -0.995 -0.195 3.400 1.00 62.11 H new ATOM 0 HB3 LEU A 35 -0.804 -1.368 4.688 1.00 62.11 H new ATOM 0 HG LEU A 35 0.941 -1.548 3.027 1.00 72.55 H new ATOM 0 HD11 LEU A 35 0.843 -3.956 2.547 1.00 31.33 H new ATOM 0 HD12 LEU A 35 0.373 -3.569 4.219 1.00 31.33 H new ATOM 0 HD13 LEU A 35 -0.874 -3.967 3.014 1.00 31.33 H new ATOM 0 HD21 LEU A 35 0.452 -2.390 0.735 1.00 12.41 H new ATOM 0 HD22 LEU A 35 -1.290 -2.257 1.078 1.00 12.41 H new ATOM 0 HD23 LEU A 35 -0.276 -0.795 1.038 1.00 12.41 H new ATOM 585 N HIS A 36 -3.247 -2.394 5.711 1.00 3.52 N ATOM 586 CA HIS A 36 -3.719 -3.384 6.681 1.00 53.10 C ATOM 587 C HIS A 36 -5.086 -3.920 6.243 1.00 30.52 C ATOM 588 O HIS A 36 -5.352 -5.113 6.325 1.00 22.54 O ATOM 589 CB HIS A 36 -3.789 -2.819 8.110 1.00 4.42 C ATOM 590 CG HIS A 36 -4.160 -3.864 9.131 1.00 23.51 C ATOM 591 ND1 HIS A 36 -5.284 -3.813 9.932 1.00 32.51 N ATOM 592 CD2 HIS A 36 -3.521 -5.013 9.457 1.00 0.43 C ATOM 593 CE1 HIS A 36 -5.292 -4.907 10.699 1.00 32.41 C ATOM 594 NE2 HIS A 36 -4.237 -5.673 10.448 1.00 63.44 N ATOM 0 H HIS A 36 -3.180 -1.439 6.064 1.00 3.52 H new ATOM 0 HA HIS A 36 -2.996 -4.199 6.704 1.00 53.10 H new ATOM 0 HB2 HIS A 36 -2.824 -2.387 8.373 1.00 4.42 H new ATOM 0 HB3 HIS A 36 -4.520 -2.011 8.141 1.00 4.42 H new ATOM 0 HD2 HIS A 36 -2.599 -5.362 9.016 1.00 0.43 H new ATOM 0 HE1 HIS A 36 -6.056 -5.138 11.427 1.00 32.41 H new ATOM 0 HE2 HIS A 36 -4.001 -6.561 10.891 1.00 63.44 H new ATOM 602 N THR A 37 -5.918 -3.026 5.761 1.00 22.10 N ATOM 603 CA THR A 37 -7.212 -3.359 5.186 1.00 1.32 C ATOM 604 C THR A 37 -7.039 -4.351 4.018 1.00 53.13 C ATOM 605 O THR A 37 -7.807 -5.294 3.858 1.00 32.11 O ATOM 606 CB THR A 37 -7.857 -2.050 4.688 1.00 40.22 C ATOM 607 OG1 THR A 37 -8.281 -1.259 5.785 1.00 22.01 O ATOM 608 CG2 THR A 37 -8.971 -2.245 3.695 1.00 21.23 C ATOM 0 H THR A 37 -5.716 -2.026 5.755 1.00 22.10 H new ATOM 0 HA THR A 37 -7.848 -3.833 5.933 1.00 1.32 H new ATOM 0 HB THR A 37 -7.077 -1.522 4.139 1.00 40.22 H new ATOM 0 HG1 THR A 37 -7.603 -0.579 5.980 1.00 22.01 H new ATOM 0 HG21 THR A 37 -9.368 -1.274 3.398 1.00 21.23 H new ATOM 0 HG22 THR A 37 -8.589 -2.765 2.817 1.00 21.23 H new ATOM 0 HG23 THR A 37 -9.765 -2.837 4.150 1.00 21.23 H new ATOM 616 N TYR A 38 -6.020 -4.132 3.237 1.00 31.43 N ATOM 617 CA TYR A 38 -5.722 -4.963 2.121 1.00 24.53 C ATOM 618 C TYR A 38 -5.215 -6.335 2.603 1.00 42.51 C ATOM 619 O TYR A 38 -5.467 -7.369 1.978 1.00 21.34 O ATOM 620 CB TYR A 38 -4.713 -4.260 1.214 1.00 52.04 C ATOM 621 CG TYR A 38 -4.581 -4.911 -0.096 1.00 31.34 C ATOM 622 CD1 TYR A 38 -5.517 -4.658 -1.055 1.00 12.12 C ATOM 623 CD2 TYR A 38 -3.564 -5.796 -0.366 1.00 21.13 C ATOM 624 CE1 TYR A 38 -5.457 -5.270 -2.302 1.00 24.24 C ATOM 625 CE2 TYR A 38 -3.485 -6.429 -1.592 1.00 42.10 C ATOM 626 CZ TYR A 38 -4.436 -6.160 -2.563 1.00 72.21 C ATOM 627 OH TYR A 38 -4.368 -6.796 -3.782 1.00 52.33 O ATOM 0 H TYR A 38 -5.368 -3.358 3.365 1.00 31.43 H new ATOM 0 HA TYR A 38 -6.626 -5.140 1.538 1.00 24.53 H new ATOM 0 HB2 TYR A 38 -5.019 -3.224 1.071 1.00 52.04 H new ATOM 0 HB3 TYR A 38 -3.740 -4.240 1.705 1.00 52.04 H new ATOM 0 HD1 TYR A 38 -6.321 -3.969 -0.842 1.00 12.12 H new ATOM 0 HD2 TYR A 38 -2.818 -5.999 0.389 1.00 21.13 H new ATOM 0 HE1 TYR A 38 -6.199 -5.052 -3.056 1.00 24.24 H new ATOM 0 HE2 TYR A 38 -2.687 -7.129 -1.792 1.00 42.10 H new ATOM 0 HH TYR A 38 -3.587 -7.388 -3.799 1.00 52.33 H new ATOM 637 N GLN A 39 -4.529 -6.335 3.734 1.00 22.52 N ATOM 638 CA GLN A 39 -4.056 -7.562 4.357 1.00 62.11 C ATOM 639 C GLN A 39 -5.217 -8.360 4.928 1.00 14.40 C ATOM 640 O GLN A 39 -5.117 -9.563 5.110 1.00 42.12 O ATOM 641 CB GLN A 39 -3.004 -7.296 5.428 1.00 4.54 C ATOM 642 CG GLN A 39 -1.701 -6.723 4.888 1.00 40.34 C ATOM 643 CD GLN A 39 -1.054 -7.597 3.819 1.00 22.34 C ATOM 644 OE1 GLN A 39 -1.196 -8.819 3.812 1.00 14.03 O ATOM 645 NE2 GLN A 39 -0.340 -6.980 2.915 1.00 42.50 N ATOM 0 H GLN A 39 -4.284 -5.487 4.246 1.00 22.52 H new ATOM 0 HA GLN A 39 -3.577 -8.154 3.577 1.00 62.11 H new ATOM 0 HB2 GLN A 39 -3.416 -6.605 6.163 1.00 4.54 H new ATOM 0 HB3 GLN A 39 -2.790 -8.228 5.952 1.00 4.54 H new ATOM 0 HG2 GLN A 39 -1.892 -5.734 4.472 1.00 40.34 H new ATOM 0 HG3 GLN A 39 -1.001 -6.592 5.713 1.00 40.34 H new ATOM 0 HE21 GLN A 39 -0.241 -5.965 2.948 1.00 42.50 H new ATOM 0 HE22 GLN A 39 0.119 -7.513 2.176 1.00 42.50 H new ATOM 654 N LYS A 40 -6.317 -7.675 5.215 1.00 51.24 N ATOM 655 CA LYS A 40 -7.547 -8.318 5.672 1.00 12.54 C ATOM 656 C LYS A 40 -8.112 -9.223 4.584 1.00 32.40 C ATOM 657 O LYS A 40 -8.838 -10.182 4.868 1.00 52.20 O ATOM 658 CB LYS A 40 -8.597 -7.284 6.065 1.00 4.22 C ATOM 659 CG LYS A 40 -8.205 -6.398 7.236 1.00 43.34 C ATOM 660 CD LYS A 40 -7.990 -7.178 8.528 1.00 2.42 C ATOM 661 CE LYS A 40 -9.265 -7.893 8.975 1.00 35.15 C ATOM 662 NZ LYS A 40 -9.084 -8.633 10.237 1.00 4.30 N ATOM 0 H LYS A 40 -6.384 -6.660 5.138 1.00 51.24 H new ATOM 0 HA LYS A 40 -7.299 -8.916 6.549 1.00 12.54 H new ATOM 0 HB2 LYS A 40 -8.806 -6.652 5.202 1.00 4.22 H new ATOM 0 HB3 LYS A 40 -9.523 -7.802 6.313 1.00 4.22 H new ATOM 0 HG2 LYS A 40 -7.291 -5.860 6.987 1.00 43.34 H new ATOM 0 HG3 LYS A 40 -8.982 -5.650 7.395 1.00 43.34 H new ATOM 0 HD2 LYS A 40 -7.194 -7.909 8.384 1.00 2.42 H new ATOM 0 HD3 LYS A 40 -7.660 -6.498 9.313 1.00 2.42 H new ATOM 0 HE2 LYS A 40 -10.064 -7.162 9.098 1.00 35.15 H new ATOM 0 HE3 LYS A 40 -9.583 -8.584 8.194 1.00 35.15 H new ATOM 0 HZ1 LYS A 40 -9.976 -9.100 10.497 1.00 4.30 H new ATOM 0 HZ2 LYS A 40 -8.341 -9.350 10.115 1.00 4.30 H new ATOM 0 HZ3 LYS A 40 -8.807 -7.972 10.990 1.00 4.30 H new ATOM 676 N GLU A 41 -7.801 -8.901 3.337 1.00 3.32 N ATOM 677 CA GLU A 41 -8.205 -9.726 2.225 1.00 72.52 C ATOM 678 C GLU A 41 -7.284 -10.938 2.225 1.00 10.14 C ATOM 679 O GLU A 41 -7.735 -12.086 2.188 1.00 14.13 O ATOM 680 CB GLU A 41 -8.041 -8.962 0.895 1.00 72.33 C ATOM 681 CG GLU A 41 -8.868 -9.496 -0.296 1.00 22.54 C ATOM 682 CD GLU A 41 -8.716 -10.984 -0.586 1.00 12.35 C ATOM 683 OE1 GLU A 41 -7.712 -11.395 -1.173 1.00 22.41 O ATOM 684 OE2 GLU A 41 -9.638 -11.775 -0.234 1.00 72.21 O ATOM 0 H GLU A 41 -7.269 -8.071 3.077 1.00 3.32 H new ATOM 0 HA GLU A 41 -9.252 -10.012 2.321 1.00 72.52 H new ATOM 0 HB2 GLU A 41 -8.311 -7.919 1.062 1.00 72.33 H new ATOM 0 HB3 GLU A 41 -6.987 -8.978 0.617 1.00 72.33 H new ATOM 0 HG2 GLU A 41 -9.921 -9.286 -0.108 1.00 22.54 H new ATOM 0 HG3 GLU A 41 -8.587 -8.939 -1.190 1.00 22.54 H new ATOM 691 N GLN A 42 -5.996 -10.653 2.322 1.00 24.30 N ATOM 692 CA GLN A 42 -4.943 -11.656 2.268 1.00 72.13 C ATOM 693 C GLN A 42 -5.100 -12.691 3.366 1.00 15.12 C ATOM 694 O GLN A 42 -5.062 -13.896 3.107 1.00 24.43 O ATOM 695 CB GLN A 42 -3.577 -10.993 2.376 1.00 52.45 C ATOM 696 CG GLN A 42 -3.343 -9.912 1.339 1.00 50.25 C ATOM 697 CD GLN A 42 -3.481 -10.412 -0.081 1.00 63.32 C ATOM 698 OE1 GLN A 42 -3.180 -11.567 -0.394 1.00 32.13 O ATOM 699 NE2 GLN A 42 -3.992 -9.567 -0.934 1.00 32.13 N ATOM 0 H GLN A 42 -5.646 -9.703 2.443 1.00 24.30 H new ATOM 0 HA GLN A 42 -5.024 -12.167 1.308 1.00 72.13 H new ATOM 0 HB2 GLN A 42 -3.470 -10.560 3.371 1.00 52.45 H new ATOM 0 HB3 GLN A 42 -2.804 -11.755 2.275 1.00 52.45 H new ATOM 0 HG2 GLN A 42 -4.052 -9.101 1.503 1.00 50.25 H new ATOM 0 HG3 GLN A 42 -2.345 -9.496 1.476 1.00 50.25 H new ATOM 0 HE21 GLN A 42 -4.227 -8.620 -0.636 1.00 32.13 H new ATOM 0 HE22 GLN A 42 -4.156 -9.853 -1.899 1.00 32.13 H new ATOM 708 N LEU A 43 -5.261 -12.229 4.572 1.00 53.43 N ATOM 709 CA LEU A 43 -5.447 -13.074 5.690 1.00 65.12 C ATOM 710 C LEU A 43 -6.914 -12.986 6.103 1.00 74.43 C ATOM 711 O LEU A 43 -7.339 -12.037 6.783 1.00 3.13 O ATOM 712 CB LEU A 43 -4.468 -12.650 6.821 1.00 13.13 C ATOM 713 CG LEU A 43 -4.199 -13.645 7.942 1.00 51.15 C ATOM 714 CD1 LEU A 43 -5.315 -13.652 8.915 1.00 3.32 C ATOM 715 CD2 LEU A 43 -4.020 -15.021 7.356 1.00 63.43 C ATOM 0 H LEU A 43 -5.265 -11.234 4.798 1.00 53.43 H new ATOM 0 HA LEU A 43 -5.223 -14.115 5.458 1.00 65.12 H new ATOM 0 HB2 LEU A 43 -3.513 -12.400 6.360 1.00 13.13 H new ATOM 0 HB3 LEU A 43 -4.854 -11.735 7.271 1.00 13.13 H new ATOM 0 HG LEU A 43 -3.290 -13.348 8.466 1.00 51.15 H new ATOM 0 HD11 LEU A 43 -5.102 -14.370 9.707 1.00 3.32 H new ATOM 0 HD12 LEU A 43 -5.428 -12.657 9.347 1.00 3.32 H new ATOM 0 HD13 LEU A 43 -6.238 -13.934 8.408 1.00 3.32 H new ATOM 0 HD21 LEU A 43 -3.827 -15.735 8.157 1.00 63.43 H new ATOM 0 HD22 LEU A 43 -4.925 -15.310 6.822 1.00 63.43 H new ATOM 0 HD23 LEU A 43 -3.178 -15.015 6.664 1.00 63.43 H new ATOM 727 N HIS A 44 -7.680 -13.942 5.648 1.00 62.04 N ATOM 728 CA HIS A 44 -9.100 -13.985 5.896 1.00 63.13 C ATOM 729 C HIS A 44 -9.363 -14.812 7.143 1.00 40.12 C ATOM 730 O HIS A 44 -9.139 -16.029 7.156 1.00 50.35 O ATOM 731 CB HIS A 44 -9.834 -14.574 4.670 1.00 43.33 C ATOM 732 CG HIS A 44 -11.344 -14.597 4.770 1.00 44.13 C ATOM 733 ND1 HIS A 44 -12.168 -13.598 4.289 1.00 5.12 N ATOM 734 CD2 HIS A 44 -12.170 -15.542 5.278 1.00 54.25 C ATOM 735 CE1 HIS A 44 -13.429 -13.956 4.515 1.00 30.44 C ATOM 736 NE2 HIS A 44 -13.491 -15.137 5.114 1.00 63.33 N ATOM 0 H HIS A 44 -7.334 -14.722 5.089 1.00 62.04 H new ATOM 0 HA HIS A 44 -9.479 -12.976 6.059 1.00 63.13 H new ATOM 0 HB2 HIS A 44 -9.553 -13.998 3.788 1.00 43.33 H new ATOM 0 HB3 HIS A 44 -9.481 -15.593 4.511 1.00 43.33 H new ATOM 0 HD2 HIS A 44 -11.853 -16.466 5.739 1.00 54.25 H new ATOM 0 HE1 HIS A 44 -14.290 -13.362 4.246 1.00 30.44 H new ATOM 0 HE2 HIS A 44 -14.331 -15.643 5.396 1.00 63.33 H new ATOM 744 N THR A 45 -9.804 -14.165 8.186 1.00 5.25 N ATOM 745 CA THR A 45 -10.067 -14.840 9.428 1.00 55.54 C ATOM 746 C THR A 45 -11.561 -15.099 9.608 1.00 62.41 C ATOM 747 O THR A 45 -12.294 -14.253 10.151 1.00 3.33 O ATOM 748 CB THR A 45 -9.494 -14.045 10.620 1.00 60.43 C ATOM 749 OG1 THR A 45 -8.122 -13.728 10.336 1.00 44.13 O ATOM 750 CG2 THR A 45 -9.550 -14.865 11.902 1.00 42.30 C ATOM 0 H THR A 45 -9.990 -13.162 8.201 1.00 5.25 H new ATOM 0 HA THR A 45 -9.564 -15.806 9.397 1.00 55.54 H new ATOM 0 HB THR A 45 -10.087 -13.141 10.759 1.00 60.43 H new ATOM 0 HG1 THR A 45 -7.742 -13.221 11.083 1.00 44.13 H new ATOM 0 HG21 THR A 45 -9.140 -14.281 12.726 1.00 42.30 H new ATOM 0 HG22 THR A 45 -10.585 -15.126 12.122 1.00 42.30 H new ATOM 0 HG23 THR A 45 -8.965 -15.776 11.777 1.00 42.30 H new ATOM 758 N LYS A 46 -12.008 -16.239 9.061 1.00 2.50 N ATOM 759 CA LYS A 46 -13.383 -16.737 9.174 1.00 45.41 C ATOM 760 C LYS A 46 -14.438 -15.762 8.632 1.00 32.12 C ATOM 761 O LYS A 46 -14.125 -14.723 8.042 1.00 31.21 O ATOM 762 CB LYS A 46 -13.714 -17.093 10.627 1.00 73.11 C ATOM 763 CG LYS A 46 -12.915 -18.250 11.206 1.00 2.23 C ATOM 764 CD LYS A 46 -13.368 -18.596 12.626 1.00 1.21 C ATOM 765 CE LYS A 46 -14.814 -19.090 12.655 1.00 74.12 C ATOM 766 NZ LYS A 46 -15.291 -19.393 14.020 1.00 62.24 N ATOM 0 H LYS A 46 -11.406 -16.855 8.514 1.00 2.50 H new ATOM 0 HA LYS A 46 -13.424 -17.630 8.550 1.00 45.41 H new ATOM 0 HB2 LYS A 46 -13.549 -16.212 11.247 1.00 73.11 H new ATOM 0 HB3 LYS A 46 -14.775 -17.335 10.693 1.00 73.11 H new ATOM 0 HG2 LYS A 46 -13.025 -19.125 10.565 1.00 2.23 H new ATOM 0 HG3 LYS A 46 -11.856 -17.993 11.214 1.00 2.23 H new ATOM 0 HD2 LYS A 46 -12.713 -19.363 13.040 1.00 1.21 H new ATOM 0 HD3 LYS A 46 -13.271 -17.717 13.263 1.00 1.21 H new ATOM 0 HE2 LYS A 46 -15.460 -18.334 12.209 1.00 74.12 H new ATOM 0 HE3 LYS A 46 -14.899 -19.985 12.039 1.00 74.12 H new ATOM 0 HZ1 LYS A 46 -16.276 -19.723 13.978 1.00 62.24 H new ATOM 0 HZ2 LYS A 46 -14.695 -20.135 14.439 1.00 62.24 H new ATOM 0 HZ3 LYS A 46 -15.238 -18.535 14.605 1.00 62.24 H new ATOM 780 N GLY A 47 -15.681 -16.136 8.801 1.00 11.24 N ATOM 781 CA GLY A 47 -16.765 -15.276 8.461 1.00 4.45 C ATOM 782 C GLY A 47 -17.280 -15.475 7.070 1.00 33.14 C ATOM 783 O GLY A 47 -16.933 -16.452 6.385 1.00 12.24 O ATOM 0 H GLY A 47 -15.960 -17.042 9.177 1.00 11.24 H new ATOM 0 HA2 GLY A 47 -17.580 -15.437 9.167 1.00 4.45 H new ATOM 0 HA3 GLY A 47 -16.445 -14.240 8.575 1.00 4.45 H new ATOM 787 N ARG A 48 -18.099 -14.553 6.657 1.00 3.42 N ATOM 788 CA ARG A 48 -18.720 -14.535 5.380 1.00 41.30 C ATOM 789 C ARG A 48 -17.722 -14.063 4.333 1.00 51.22 C ATOM 790 O ARG A 48 -16.680 -13.497 4.690 1.00 71.15 O ATOM 791 CB ARG A 48 -19.892 -13.569 5.453 1.00 44.02 C ATOM 792 CG ARG A 48 -20.981 -13.988 6.413 1.00 22.31 C ATOM 793 CD ARG A 48 -22.089 -12.954 6.456 1.00 73.12 C ATOM 794 NE ARG A 48 -23.120 -13.256 7.461 1.00 12.20 N ATOM 795 CZ ARG A 48 -23.882 -12.322 8.069 1.00 15.23 C ATOM 796 NH1 ARG A 48 -23.714 -11.029 7.780 1.00 14.21 N ATOM 797 NH2 ARG A 48 -24.800 -12.680 8.959 1.00 40.22 N ATOM 0 H ARG A 48 -18.360 -13.756 7.237 1.00 3.42 H new ATOM 0 HA ARG A 48 -19.064 -15.531 5.103 1.00 41.30 H new ATOM 0 HB2 ARG A 48 -19.521 -12.587 5.748 1.00 44.02 H new ATOM 0 HB3 ARG A 48 -20.322 -13.462 4.457 1.00 44.02 H new ATOM 0 HG2 ARG A 48 -21.389 -14.952 6.109 1.00 22.31 H new ATOM 0 HG3 ARG A 48 -20.562 -14.120 7.410 1.00 22.31 H new ATOM 0 HD2 ARG A 48 -21.657 -11.976 6.669 1.00 73.12 H new ATOM 0 HD3 ARG A 48 -22.556 -12.889 5.473 1.00 73.12 H new ATOM 0 HE ARG A 48 -23.269 -14.233 7.714 1.00 12.20 H new ATOM 0 HH11 ARG A 48 -23.009 -10.746 7.099 1.00 14.21 H new ATOM 0 HH12 ARG A 48 -24.290 -10.324 8.240 1.00 14.21 H new ATOM 0 HH21 ARG A 48 -24.933 -13.665 9.187 1.00 40.22 H new ATOM 0 HH22 ARG A 48 -25.373 -11.970 9.415 1.00 40.22 H new ATOM 811 N PRO A 49 -18.003 -14.314 3.044 1.00 12.32 N ATOM 812 CA PRO A 49 -17.150 -13.848 1.947 1.00 12.02 C ATOM 813 C PRO A 49 -17.040 -12.330 1.987 1.00 22.11 C ATOM 814 O PRO A 49 -18.020 -11.615 1.749 1.00 73.05 O ATOM 815 CB PRO A 49 -17.890 -14.300 0.682 1.00 45.20 C ATOM 816 CG PRO A 49 -18.820 -15.377 1.136 1.00 51.25 C ATOM 817 CD PRO A 49 -19.170 -15.067 2.558 1.00 2.20 C ATOM 0 HA PRO A 49 -16.135 -14.241 1.998 1.00 12.02 H new ATOM 0 HB2 PRO A 49 -18.437 -13.473 0.229 1.00 45.20 H new ATOM 0 HB3 PRO A 49 -17.194 -14.672 -0.070 1.00 45.20 H new ATOM 0 HG2 PRO A 49 -19.715 -15.404 0.514 1.00 51.25 H new ATOM 0 HG3 PRO A 49 -18.347 -16.356 1.058 1.00 51.25 H new ATOM 0 HD2 PRO A 49 -20.085 -14.478 2.627 1.00 2.20 H new ATOM 0 HD3 PRO A 49 -19.332 -15.975 3.139 1.00 2.20 H new ATOM 825 N PHE A 50 -15.880 -11.845 2.311 1.00 73.33 N ATOM 826 CA PHE A 50 -15.676 -10.445 2.535 1.00 5.11 C ATOM 827 C PHE A 50 -14.232 -10.110 2.239 1.00 3.33 C ATOM 828 O PHE A 50 -13.324 -10.644 2.875 1.00 55.33 O ATOM 829 CB PHE A 50 -16.015 -10.145 4.005 1.00 61.31 C ATOM 830 CG PHE A 50 -15.978 -8.694 4.402 1.00 11.05 C ATOM 831 CD1 PHE A 50 -17.013 -7.841 4.062 1.00 31.31 C ATOM 832 CD2 PHE A 50 -14.916 -8.193 5.128 1.00 13.45 C ATOM 833 CE1 PHE A 50 -16.985 -6.512 4.435 1.00 70.23 C ATOM 834 CE2 PHE A 50 -14.881 -6.869 5.506 1.00 33.34 C ATOM 835 CZ PHE A 50 -15.917 -6.025 5.159 1.00 12.43 C ATOM 0 H PHE A 50 -15.041 -12.414 2.428 1.00 73.33 H new ATOM 0 HA PHE A 50 -16.312 -9.843 1.887 1.00 5.11 H new ATOM 0 HB2 PHE A 50 -17.011 -10.535 4.215 1.00 61.31 H new ATOM 0 HB3 PHE A 50 -15.318 -10.694 4.638 1.00 61.31 H new ATOM 0 HD1 PHE A 50 -17.853 -8.219 3.498 1.00 31.31 H new ATOM 0 HD2 PHE A 50 -14.102 -8.848 5.403 1.00 13.45 H new ATOM 0 HE1 PHE A 50 -17.797 -5.855 4.161 1.00 70.23 H new ATOM 0 HE2 PHE A 50 -14.043 -6.491 6.074 1.00 33.34 H new ATOM 0 HZ PHE A 50 -15.891 -4.986 5.454 1.00 12.43 H new ATOM 845 N ARG A 51 -14.015 -9.254 1.271 1.00 63.24 N ATOM 846 CA ARG A 51 -12.668 -8.879 0.888 1.00 51.51 C ATOM 847 C ARG A 51 -12.207 -7.600 1.502 1.00 13.11 C ATOM 848 O ARG A 51 -11.055 -7.201 1.347 1.00 24.23 O ATOM 849 CB ARG A 51 -12.480 -8.883 -0.600 1.00 10.41 C ATOM 850 CG ARG A 51 -12.308 -10.275 -1.162 1.00 54.14 C ATOM 851 CD ARG A 51 -11.809 -10.183 -2.558 1.00 41.21 C ATOM 852 NE ARG A 51 -11.273 -11.453 -3.065 1.00 22.12 N ATOM 853 CZ ARG A 51 -10.910 -11.676 -4.336 1.00 41.03 C ATOM 854 NH1 ARG A 51 -11.181 -10.781 -5.284 1.00 41.15 N ATOM 855 NH2 ARG A 51 -10.289 -12.805 -4.654 1.00 5.24 N ATOM 0 H ARG A 51 -14.752 -8.801 0.731 1.00 63.24 H new ATOM 0 HA ARG A 51 -12.023 -9.655 1.300 1.00 51.51 H new ATOM 0 HB2 ARG A 51 -13.340 -8.409 -1.072 1.00 10.41 H new ATOM 0 HB3 ARG A 51 -11.606 -8.283 -0.853 1.00 10.41 H new ATOM 0 HG2 ARG A 51 -11.607 -10.843 -0.550 1.00 54.14 H new ATOM 0 HG3 ARG A 51 -13.258 -10.809 -1.138 1.00 54.14 H new ATOM 0 HD2 ARG A 51 -12.621 -9.854 -3.206 1.00 41.21 H new ATOM 0 HD3 ARG A 51 -11.031 -9.421 -2.610 1.00 41.21 H new ATOM 0 HE ARG A 51 -11.169 -12.221 -2.402 1.00 22.12 H new ATOM 0 HH11 ARG A 51 -11.669 -9.917 -5.046 1.00 41.15 H new ATOM 0 HH12 ARG A 51 -10.901 -10.959 -6.249 1.00 41.15 H new ATOM 0 HH21 ARG A 51 -10.090 -13.498 -3.933 1.00 5.24 H new ATOM 0 HH22 ARG A 51 -10.011 -12.979 -5.620 1.00 5.24 H new ATOM 869 N GLY A 52 -13.092 -6.954 2.188 1.00 2.42 N ATOM 870 CA GLY A 52 -12.754 -5.758 2.881 1.00 32.01 C ATOM 871 C GLY A 52 -12.806 -4.549 1.999 1.00 4.25 C ATOM 872 O GLY A 52 -13.655 -3.665 2.161 1.00 43.23 O ATOM 0 H GLY A 52 -14.066 -7.241 2.283 1.00 2.42 H new ATOM 0 HA2 GLY A 52 -13.438 -5.622 3.719 1.00 32.01 H new ATOM 0 HA3 GLY A 52 -11.752 -5.855 3.300 1.00 32.01 H new ATOM 876 N MET A 53 -11.923 -4.527 1.072 1.00 33.53 N ATOM 877 CA MET A 53 -11.731 -3.475 0.181 1.00 33.03 C ATOM 878 C MET A 53 -11.385 -4.105 -1.142 1.00 30.44 C ATOM 879 O MET A 53 -10.454 -4.913 -1.223 1.00 63.21 O ATOM 880 CB MET A 53 -10.593 -2.660 0.754 1.00 52.21 C ATOM 881 CG MET A 53 -10.159 -1.498 -0.070 1.00 12.10 C ATOM 882 SD MET A 53 -8.921 -0.455 0.741 1.00 15.31 S ATOM 883 CE MET A 53 -7.524 -1.577 0.830 1.00 72.11 C ATOM 0 H MET A 53 -11.278 -5.302 0.916 1.00 33.53 H new ATOM 0 HA MET A 53 -12.594 -2.825 0.038 1.00 33.03 H new ATOM 0 HB2 MET A 53 -10.889 -2.295 1.738 1.00 52.21 H new ATOM 0 HB3 MET A 53 -9.737 -3.318 0.903 1.00 52.21 H new ATOM 0 HG2 MET A 53 -9.752 -1.864 -1.013 1.00 12.10 H new ATOM 0 HG3 MET A 53 -11.031 -0.890 -0.313 1.00 12.10 H new ATOM 0 HE1 MET A 53 -7.053 -1.495 1.810 1.00 72.11 H new ATOM 0 HE2 MET A 53 -7.868 -2.600 0.677 1.00 72.11 H new ATOM 0 HE3 MET A 53 -6.800 -1.319 0.057 1.00 72.11 H new ATOM 893 N SER A 54 -12.155 -3.803 -2.147 1.00 11.53 N ATOM 894 CA SER A 54 -11.984 -4.408 -3.436 1.00 61.54 C ATOM 895 C SER A 54 -10.756 -3.816 -4.119 1.00 74.34 C ATOM 896 O SER A 54 -10.464 -2.651 -3.925 1.00 31.21 O ATOM 897 CB SER A 54 -13.237 -4.156 -4.254 1.00 64.12 C ATOM 898 OG SER A 54 -14.396 -4.526 -3.509 1.00 72.41 O ATOM 0 H SER A 54 -12.920 -3.130 -2.096 1.00 11.53 H new ATOM 0 HA SER A 54 -11.830 -5.483 -3.339 1.00 61.54 H new ATOM 0 HB2 SER A 54 -13.294 -3.103 -4.530 1.00 64.12 H new ATOM 0 HB3 SER A 54 -13.195 -4.727 -5.182 1.00 64.12 H new ATOM 0 HG SER A 54 -15.198 -4.357 -4.046 1.00 72.41 H new ATOM 904 N GLU A 55 -10.089 -4.610 -4.950 1.00 71.40 N ATOM 905 CA GLU A 55 -8.844 -4.268 -5.625 1.00 65.44 C ATOM 906 C GLU A 55 -8.888 -2.886 -6.282 1.00 53.32 C ATOM 907 O GLU A 55 -7.973 -2.080 -6.110 1.00 34.13 O ATOM 908 CB GLU A 55 -8.618 -5.291 -6.698 1.00 24.14 C ATOM 909 CG GLU A 55 -7.312 -5.159 -7.391 1.00 64.42 C ATOM 910 CD GLU A 55 -7.341 -5.795 -8.742 1.00 51.13 C ATOM 911 OE1 GLU A 55 -7.541 -7.010 -8.840 1.00 55.44 O ATOM 912 OE2 GLU A 55 -7.193 -5.075 -9.748 1.00 53.11 O ATOM 0 H GLU A 55 -10.416 -5.548 -5.181 1.00 71.40 H new ATOM 0 HA GLU A 55 -8.046 -4.253 -4.883 1.00 65.44 H new ATOM 0 HB2 GLU A 55 -8.685 -6.286 -6.258 1.00 24.14 H new ATOM 0 HB3 GLU A 55 -9.418 -5.214 -7.434 1.00 24.14 H new ATOM 0 HG2 GLU A 55 -7.057 -4.104 -7.490 1.00 64.42 H new ATOM 0 HG3 GLU A 55 -6.531 -5.621 -6.787 1.00 64.42 H new ATOM 919 N GLU A 56 -9.950 -2.621 -7.008 1.00 1.44 N ATOM 920 CA GLU A 56 -10.086 -1.380 -7.718 1.00 5.44 C ATOM 921 C GLU A 56 -10.184 -0.208 -6.751 1.00 14.12 C ATOM 922 O GLU A 56 -9.590 0.845 -6.977 1.00 44.22 O ATOM 923 CB GLU A 56 -11.295 -1.427 -8.629 1.00 14.52 C ATOM 924 CG GLU A 56 -11.402 -0.234 -9.546 1.00 31.13 C ATOM 925 CD GLU A 56 -12.581 -0.328 -10.447 1.00 64.41 C ATOM 926 OE1 GLU A 56 -12.607 -1.217 -11.314 1.00 73.23 O ATOM 927 OE2 GLU A 56 -13.526 0.474 -10.301 1.00 20.23 O ATOM 0 H GLU A 56 -10.738 -3.259 -7.120 1.00 1.44 H new ATOM 0 HA GLU A 56 -9.196 -1.235 -8.330 1.00 5.44 H new ATOM 0 HB2 GLU A 56 -11.252 -2.335 -9.230 1.00 14.52 H new ATOM 0 HB3 GLU A 56 -12.197 -1.490 -8.020 1.00 14.52 H new ATOM 0 HG2 GLU A 56 -11.473 0.676 -8.950 1.00 31.13 H new ATOM 0 HG3 GLU A 56 -10.494 -0.154 -10.144 1.00 31.13 H new ATOM 934 N GLU A 57 -10.880 -0.406 -5.648 1.00 3.52 N ATOM 935 CA GLU A 57 -11.031 0.647 -4.684 1.00 4.43 C ATOM 936 C GLU A 57 -9.739 0.768 -3.876 1.00 12.44 C ATOM 937 O GLU A 57 -9.373 1.851 -3.457 1.00 73.21 O ATOM 938 CB GLU A 57 -12.268 0.439 -3.815 1.00 0.52 C ATOM 939 CG GLU A 57 -12.035 -0.285 -2.540 1.00 34.10 C ATOM 940 CD GLU A 57 -13.297 -0.583 -1.806 1.00 13.44 C ATOM 941 OE1 GLU A 57 -13.797 0.272 -1.070 1.00 24.00 O ATOM 942 OE2 GLU A 57 -13.821 -1.691 -1.963 1.00 5.51 O ATOM 0 H GLU A 57 -11.343 -1.282 -5.405 1.00 3.52 H new ATOM 0 HA GLU A 57 -11.199 1.595 -5.195 1.00 4.43 H new ATOM 0 HB2 GLU A 57 -12.699 1.414 -3.586 1.00 0.52 H new ATOM 0 HB3 GLU A 57 -13.010 -0.110 -4.395 1.00 0.52 H new ATOM 0 HG2 GLU A 57 -11.512 -1.218 -2.748 1.00 34.10 H new ATOM 0 HG3 GLU A 57 -11.382 0.311 -1.903 1.00 34.10 H new ATOM 949 N VAL A 58 -9.029 -0.362 -3.730 1.00 44.34 N ATOM 950 CA VAL A 58 -7.734 -0.409 -3.112 1.00 23.35 C ATOM 951 C VAL A 58 -6.796 0.510 -3.879 1.00 74.32 C ATOM 952 O VAL A 58 -6.211 1.444 -3.328 1.00 31.10 O ATOM 953 CB VAL A 58 -7.165 -1.858 -3.168 1.00 32.10 C ATOM 954 CG1 VAL A 58 -5.723 -1.890 -2.810 1.00 61.12 C ATOM 955 CG2 VAL A 58 -7.940 -2.802 -2.274 1.00 3.02 C ATOM 0 H VAL A 58 -9.361 -1.272 -4.049 1.00 44.34 H new ATOM 0 HA VAL A 58 -7.820 -0.095 -2.072 1.00 23.35 H new ATOM 0 HB VAL A 58 -7.275 -2.196 -4.198 1.00 32.10 H new ATOM 0 HG11 VAL A 58 -5.359 -2.916 -2.859 1.00 61.12 H new ATOM 0 HG12 VAL A 58 -5.161 -1.271 -3.509 1.00 61.12 H new ATOM 0 HG13 VAL A 58 -5.591 -1.506 -1.798 1.00 61.12 H new ATOM 0 HG21 VAL A 58 -7.511 -3.802 -2.342 1.00 3.02 H new ATOM 0 HG22 VAL A 58 -7.886 -2.453 -1.243 1.00 3.02 H new ATOM 0 HG23 VAL A 58 -8.982 -2.832 -2.593 1.00 3.02 H new ATOM 965 N PHE A 59 -6.737 0.260 -5.170 1.00 12.15 N ATOM 966 CA PHE A 59 -5.903 0.980 -6.105 1.00 11.25 C ATOM 967 C PHE A 59 -6.270 2.467 -6.093 1.00 73.12 C ATOM 968 O PHE A 59 -5.392 3.342 -6.193 1.00 2.12 O ATOM 969 CB PHE A 59 -6.107 0.353 -7.496 1.00 2.02 C ATOM 970 CG PHE A 59 -5.210 0.846 -8.591 1.00 23.42 C ATOM 971 CD1 PHE A 59 -3.908 0.388 -8.689 1.00 71.34 C ATOM 972 CD2 PHE A 59 -5.679 1.733 -9.544 1.00 30.04 C ATOM 973 CE1 PHE A 59 -3.090 0.809 -9.714 1.00 11.41 C ATOM 974 CE2 PHE A 59 -4.864 2.162 -10.570 1.00 4.40 C ATOM 975 CZ PHE A 59 -3.568 1.698 -10.656 1.00 73.51 C ATOM 0 H PHE A 59 -7.288 -0.476 -5.611 1.00 12.15 H new ATOM 0 HA PHE A 59 -4.851 0.908 -5.829 1.00 11.25 H new ATOM 0 HB2 PHE A 59 -5.975 -0.725 -7.407 1.00 2.02 H new ATOM 0 HB3 PHE A 59 -7.140 0.524 -7.799 1.00 2.02 H new ATOM 0 HD1 PHE A 59 -3.529 -0.307 -7.954 1.00 71.34 H new ATOM 0 HD2 PHE A 59 -6.695 2.093 -9.483 1.00 30.04 H new ATOM 0 HE1 PHE A 59 -2.076 0.444 -9.781 1.00 11.41 H new ATOM 0 HE2 PHE A 59 -5.239 2.859 -11.304 1.00 4.40 H new ATOM 0 HZ PHE A 59 -2.927 2.030 -11.460 1.00 73.51 H new ATOM 985 N THR A 60 -7.554 2.736 -5.917 1.00 12.11 N ATOM 986 CA THR A 60 -8.073 4.030 -5.847 1.00 13.01 C ATOM 987 C THR A 60 -7.640 4.755 -4.560 1.00 21.54 C ATOM 988 O THR A 60 -7.112 5.839 -4.643 1.00 71.12 O ATOM 989 CB THR A 60 -9.594 3.942 -5.926 1.00 71.54 C ATOM 990 OG1 THR A 60 -9.990 3.460 -7.215 1.00 55.25 O ATOM 991 CG2 THR A 60 -10.218 5.256 -5.653 1.00 44.42 C ATOM 0 H THR A 60 -8.263 2.009 -5.819 1.00 12.11 H new ATOM 0 HA THR A 60 -7.682 4.613 -6.681 1.00 13.01 H new ATOM 0 HB THR A 60 -9.937 3.243 -5.164 1.00 71.54 H new ATOM 0 HG1 THR A 60 -9.778 2.506 -7.287 1.00 55.25 H new ATOM 0 HG21 THR A 60 -11.302 5.164 -5.716 1.00 44.42 H new ATOM 0 HG22 THR A 60 -9.940 5.590 -4.654 1.00 44.42 H new ATOM 0 HG23 THR A 60 -9.872 5.983 -6.388 1.00 44.42 H new ATOM 999 N GLU A 61 -7.809 4.128 -3.388 1.00 23.41 N ATOM 1000 CA GLU A 61 -7.538 4.786 -2.118 1.00 1.41 C ATOM 1001 C GLU A 61 -6.075 5.148 -1.975 1.00 25.22 C ATOM 1002 O GLU A 61 -5.725 6.168 -1.390 1.00 62.24 O ATOM 1003 CB GLU A 61 -7.988 3.906 -0.972 1.00 53.12 C ATOM 1004 CG GLU A 61 -9.479 3.748 -0.925 1.00 24.03 C ATOM 1005 CD GLU A 61 -10.186 5.016 -0.549 1.00 13.43 C ATOM 1006 OE1 GLU A 61 -10.426 5.864 -1.421 1.00 64.15 O ATOM 1007 OE2 GLU A 61 -10.545 5.178 0.626 1.00 0.33 O ATOM 0 H GLU A 61 -8.133 3.165 -3.301 1.00 23.41 H new ATOM 0 HA GLU A 61 -8.104 5.717 -2.094 1.00 1.41 H new ATOM 0 HB2 GLU A 61 -7.524 2.924 -1.067 1.00 53.12 H new ATOM 0 HB3 GLU A 61 -7.641 4.333 -0.031 1.00 53.12 H new ATOM 0 HG2 GLU A 61 -9.835 3.414 -1.899 1.00 24.03 H new ATOM 0 HG3 GLU A 61 -9.735 2.968 -0.208 1.00 24.03 H new ATOM 1014 N VAL A 62 -5.229 4.331 -2.547 1.00 54.11 N ATOM 1015 CA VAL A 62 -3.807 4.572 -2.505 1.00 75.14 C ATOM 1016 C VAL A 62 -3.439 5.711 -3.460 1.00 34.32 C ATOM 1017 O VAL A 62 -2.646 6.591 -3.117 1.00 32.21 O ATOM 1018 CB VAL A 62 -3.020 3.303 -2.850 1.00 1.14 C ATOM 1019 CG1 VAL A 62 -1.537 3.519 -2.659 1.00 34.04 C ATOM 1020 CG2 VAL A 62 -3.499 2.154 -1.991 1.00 2.11 C ATOM 0 H VAL A 62 -5.501 3.487 -3.051 1.00 54.11 H new ATOM 0 HA VAL A 62 -3.539 4.863 -1.489 1.00 75.14 H new ATOM 0 HB VAL A 62 -3.193 3.062 -3.899 1.00 1.14 H new ATOM 0 HG11 VAL A 62 -1.001 2.604 -2.910 1.00 34.04 H new ATOM 0 HG12 VAL A 62 -1.200 4.327 -3.309 1.00 34.04 H new ATOM 0 HG13 VAL A 62 -1.338 3.782 -1.620 1.00 34.04 H new ATOM 0 HG21 VAL A 62 -2.936 1.254 -2.240 1.00 2.11 H new ATOM 0 HG22 VAL A 62 -3.347 2.398 -0.940 1.00 2.11 H new ATOM 0 HG23 VAL A 62 -4.560 1.981 -2.173 1.00 2.11 H new ATOM 1030 N ALA A 63 -4.066 5.721 -4.635 1.00 20.14 N ATOM 1031 CA ALA A 63 -3.850 6.787 -5.616 1.00 53.45 C ATOM 1032 C ALA A 63 -4.429 8.083 -5.088 1.00 52.44 C ATOM 1033 O ALA A 63 -3.951 9.151 -5.382 1.00 25.21 O ATOM 1034 CB ALA A 63 -4.491 6.434 -6.945 1.00 51.35 C ATOM 0 H ALA A 63 -4.728 5.004 -4.932 1.00 20.14 H new ATOM 0 HA ALA A 63 -2.778 6.905 -5.776 1.00 53.45 H new ATOM 0 HB1 ALA A 63 -4.318 7.240 -7.658 1.00 51.35 H new ATOM 0 HB2 ALA A 63 -4.053 5.512 -7.327 1.00 51.35 H new ATOM 0 HB3 ALA A 63 -5.563 6.296 -6.807 1.00 51.35 H new ATOM 1040 N ASN A 64 -5.479 7.940 -4.329 1.00 23.50 N ATOM 1041 CA ASN A 64 -6.162 9.014 -3.632 1.00 74.53 C ATOM 1042 C ASN A 64 -5.261 9.627 -2.574 1.00 72.31 C ATOM 1043 O ASN A 64 -5.222 10.848 -2.404 1.00 63.44 O ATOM 1044 CB ASN A 64 -7.426 8.423 -3.016 1.00 74.14 C ATOM 1045 CG ASN A 64 -8.153 9.269 -1.995 1.00 3.33 C ATOM 1046 OD1 ASN A 64 -8.164 10.480 -2.057 1.00 55.34 O ATOM 1047 ND2 ASN A 64 -8.791 8.609 -1.054 1.00 35.43 N ATOM 0 H ASN A 64 -5.909 7.030 -4.166 1.00 23.50 H new ATOM 0 HA ASN A 64 -6.423 9.818 -4.320 1.00 74.53 H new ATOM 0 HB2 ASN A 64 -8.121 8.195 -3.824 1.00 74.14 H new ATOM 0 HB3 ASN A 64 -7.162 7.476 -2.545 1.00 74.14 H new ATOM 0 HD21 ASN A 64 -9.318 9.116 -0.343 1.00 35.43 H new ATOM 0 HD22 ASN A 64 -8.759 7.590 -1.034 1.00 35.43 H new ATOM 1054 N LEU A 65 -4.521 8.781 -1.889 1.00 32.44 N ATOM 1055 CA LEU A 65 -3.618 9.227 -0.866 1.00 55.11 C ATOM 1056 C LEU A 65 -2.451 9.980 -1.506 1.00 65.23 C ATOM 1057 O LEU A 65 -2.224 11.160 -1.247 1.00 21.55 O ATOM 1058 CB LEU A 65 -3.028 8.032 -0.111 1.00 55.54 C ATOM 1059 CG LEU A 65 -2.918 8.166 1.406 1.00 30.23 C ATOM 1060 CD1 LEU A 65 -2.854 9.584 1.841 1.00 52.15 C ATOM 1061 CD2 LEU A 65 -4.025 7.471 2.098 1.00 33.32 C ATOM 0 H LEU A 65 -4.533 7.771 -2.030 1.00 32.44 H new ATOM 0 HA LEU A 65 -4.174 9.868 -0.182 1.00 55.11 H new ATOM 0 HB2 LEU A 65 -3.637 7.156 -0.332 1.00 55.54 H new ATOM 0 HB3 LEU A 65 -2.032 7.836 -0.508 1.00 55.54 H new ATOM 0 HG LEU A 65 -1.980 7.687 1.687 1.00 30.23 H new ATOM 0 HD11 LEU A 65 -2.776 9.628 2.927 1.00 52.15 H new ATOM 0 HD12 LEU A 65 -1.982 10.062 1.395 1.00 52.15 H new ATOM 0 HD13 LEU A 65 -3.757 10.104 1.520 1.00 52.15 H new ATOM 0 HD21 LEU A 65 -3.912 7.589 3.176 1.00 33.32 H new ATOM 0 HD22 LEU A 65 -4.977 7.900 1.784 1.00 33.32 H new ATOM 0 HD23 LEU A 65 -4.004 6.411 1.845 1.00 33.32 H new ATOM 1073 N PHE A 66 -1.752 9.301 -2.384 1.00 15.52 N ATOM 1074 CA PHE A 66 -0.537 9.837 -2.949 1.00 21.35 C ATOM 1075 C PHE A 66 -0.775 10.415 -4.330 1.00 71.52 C ATOM 1076 O PHE A 66 0.089 10.294 -5.203 1.00 40.32 O ATOM 1077 CB PHE A 66 0.518 8.727 -3.051 1.00 54.30 C ATOM 1078 CG PHE A 66 0.772 7.979 -1.777 1.00 71.11 C ATOM 1079 CD1 PHE A 66 1.112 8.648 -0.617 1.00 31.10 C ATOM 1080 CD2 PHE A 66 0.662 6.601 -1.743 1.00 3.13 C ATOM 1081 CE1 PHE A 66 1.341 7.960 0.551 1.00 1.32 C ATOM 1082 CE2 PHE A 66 0.890 5.907 -0.578 1.00 65.55 C ATOM 1083 CZ PHE A 66 1.231 6.589 0.571 1.00 74.54 C ATOM 0 H PHE A 66 -2.005 8.373 -2.724 1.00 15.52 H new ATOM 0 HA PHE A 66 -0.189 10.635 -2.293 1.00 21.35 H new ATOM 0 HB2 PHE A 66 0.204 8.017 -3.816 1.00 54.30 H new ATOM 0 HB3 PHE A 66 1.456 9.167 -3.390 1.00 54.30 H new ATOM 0 HD1 PHE A 66 1.199 9.724 -0.628 1.00 31.10 H new ATOM 0 HD2 PHE A 66 0.394 6.064 -2.641 1.00 3.13 H new ATOM 0 HE1 PHE A 66 1.607 8.495 1.451 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.802 4.831 -0.563 1.00 65.55 H new ATOM 0 HZ PHE A 66 1.412 6.046 1.487 1.00 74.54 H new ATOM 1093 N ARG A 67 -1.906 11.084 -4.527 1.00 33.13 N ATOM 1094 CA ARG A 67 -2.197 11.690 -5.794 1.00 45.43 C ATOM 1095 C ARG A 67 -1.145 12.745 -6.140 1.00 23.23 C ATOM 1096 O ARG A 67 -0.905 13.693 -5.376 1.00 31.24 O ATOM 1097 CB ARG A 67 -3.631 12.247 -5.840 1.00 41.41 C ATOM 1098 CG ARG A 67 -3.972 13.311 -4.811 1.00 71.45 C ATOM 1099 CD ARG A 67 -5.430 13.747 -4.935 1.00 11.31 C ATOM 1100 NE ARG A 67 -5.748 14.342 -6.257 1.00 4.31 N ATOM 1101 CZ ARG A 67 -7.004 14.590 -6.709 1.00 63.55 C ATOM 1102 NH1 ARG A 67 -8.058 14.205 -5.997 1.00 2.52 N ATOM 1103 NH2 ARG A 67 -7.197 15.188 -7.883 1.00 64.13 N ATOM 0 H ARG A 67 -2.627 11.213 -3.818 1.00 33.13 H new ATOM 0 HA ARG A 67 -2.147 10.919 -6.563 1.00 45.43 H new ATOM 0 HB2 ARG A 67 -3.805 12.662 -6.833 1.00 41.41 H new ATOM 0 HB3 ARG A 67 -4.325 11.416 -5.716 1.00 41.41 H new ATOM 0 HG2 ARG A 67 -3.789 12.924 -3.809 1.00 71.45 H new ATOM 0 HG3 ARG A 67 -3.319 14.173 -4.944 1.00 71.45 H new ATOM 0 HD2 ARG A 67 -6.076 12.886 -4.766 1.00 11.31 H new ATOM 0 HD3 ARG A 67 -5.654 14.473 -4.153 1.00 11.31 H new ATOM 0 HE ARG A 67 -4.968 14.581 -6.869 1.00 4.31 H new ATOM 0 HH11 ARG A 67 -7.924 13.722 -5.109 1.00 2.52 H new ATOM 0 HH12 ARG A 67 -9.001 14.393 -6.339 1.00 2.52 H new ATOM 0 HH21 ARG A 67 -6.397 15.464 -8.452 1.00 64.13 H new ATOM 0 HH22 ARG A 67 -8.145 15.370 -8.213 1.00 64.13 H new ATOM 1117 N GLY A 68 -0.479 12.525 -7.234 1.00 41.33 N ATOM 1118 CA GLY A 68 0.577 13.388 -7.661 1.00 60.41 C ATOM 1119 C GLY A 68 1.882 12.653 -7.657 1.00 32.22 C ATOM 1120 O GLY A 68 2.756 12.908 -8.482 1.00 43.42 O ATOM 0 H GLY A 68 -0.655 11.737 -7.857 1.00 41.33 H new ATOM 0 HA2 GLY A 68 0.366 13.764 -8.662 1.00 60.41 H new ATOM 0 HA3 GLY A 68 0.637 14.254 -7.002 1.00 60.41 H new ATOM 1124 N GLN A 69 2.015 11.722 -6.740 1.00 72.21 N ATOM 1125 CA GLN A 69 3.201 10.924 -6.626 1.00 72.12 C ATOM 1126 C GLN A 69 2.989 9.628 -7.388 1.00 13.34 C ATOM 1127 O GLN A 69 2.912 8.538 -6.809 1.00 72.42 O ATOM 1128 CB GLN A 69 3.477 10.637 -5.168 1.00 64.25 C ATOM 1129 CG GLN A 69 3.439 11.876 -4.293 1.00 31.30 C ATOM 1130 CD GLN A 69 4.485 12.916 -4.652 1.00 64.42 C ATOM 1131 OE1 GLN A 69 5.579 12.594 -5.135 1.00 32.03 O ATOM 1132 NE2 GLN A 69 4.161 14.163 -4.426 1.00 74.21 N ATOM 0 H GLN A 69 1.296 11.501 -6.051 1.00 72.21 H new ATOM 0 HA GLN A 69 4.056 11.455 -7.044 1.00 72.12 H new ATOM 0 HB2 GLN A 69 2.743 9.919 -4.801 1.00 64.25 H new ATOM 0 HB3 GLN A 69 4.456 10.167 -5.077 1.00 64.25 H new ATOM 0 HG2 GLN A 69 2.450 12.329 -4.365 1.00 31.30 H new ATOM 0 HG3 GLN A 69 3.578 11.579 -3.254 1.00 31.30 H new ATOM 0 HE21 GLN A 69 3.250 14.389 -4.027 1.00 74.21 H new ATOM 0 HE22 GLN A 69 4.819 14.909 -4.649 1.00 74.21 H new ATOM 1141 N GLU A 70 2.904 9.759 -8.686 1.00 74.43 N ATOM 1142 CA GLU A 70 2.627 8.660 -9.590 1.00 2.32 C ATOM 1143 C GLU A 70 3.782 7.669 -9.596 1.00 63.25 C ATOM 1144 O GLU A 70 3.607 6.485 -9.891 1.00 32.34 O ATOM 1145 CB GLU A 70 2.343 9.218 -10.975 1.00 72.45 C ATOM 1146 CG GLU A 70 1.159 10.176 -10.968 1.00 42.24 C ATOM 1147 CD GLU A 70 0.987 10.924 -12.252 1.00 64.23 C ATOM 1148 OE1 GLU A 70 1.608 11.998 -12.407 1.00 53.41 O ATOM 1149 OE2 GLU A 70 0.202 10.493 -13.121 1.00 52.40 O ATOM 0 H GLU A 70 3.028 10.653 -9.161 1.00 74.43 H new ATOM 0 HA GLU A 70 1.746 8.113 -9.253 1.00 2.32 H new ATOM 0 HB2 GLU A 70 3.227 9.736 -11.346 1.00 72.45 H new ATOM 0 HB3 GLU A 70 2.142 8.397 -11.663 1.00 72.45 H new ATOM 0 HG2 GLU A 70 0.249 9.614 -10.760 1.00 42.24 H new ATOM 0 HG3 GLU A 70 1.285 10.891 -10.155 1.00 42.24 H new ATOM 1156 N ASP A 71 4.948 8.160 -9.228 1.00 13.41 N ATOM 1157 CA ASP A 71 6.137 7.340 -9.072 1.00 22.20 C ATOM 1158 C ASP A 71 5.912 6.280 -7.992 1.00 45.13 C ATOM 1159 O ASP A 71 6.170 5.086 -8.209 1.00 45.40 O ATOM 1160 CB ASP A 71 7.340 8.218 -8.725 1.00 32.02 C ATOM 1161 CG ASP A 71 8.599 7.424 -8.469 1.00 32.23 C ATOM 1162 OD1 ASP A 71 9.276 7.021 -9.440 1.00 13.51 O ATOM 1163 OD2 ASP A 71 8.956 7.206 -7.302 1.00 55.00 O ATOM 0 H ASP A 71 5.101 9.148 -9.026 1.00 13.41 H new ATOM 0 HA ASP A 71 6.341 6.831 -10.014 1.00 22.20 H new ATOM 0 HB2 ASP A 71 7.519 8.918 -9.541 1.00 32.02 H new ATOM 0 HB3 ASP A 71 7.106 8.812 -7.841 1.00 32.02 H new ATOM 1168 N LEU A 72 5.364 6.712 -6.864 1.00 20.04 N ATOM 1169 CA LEU A 72 5.060 5.819 -5.752 1.00 31.22 C ATOM 1170 C LEU A 72 3.965 4.858 -6.135 1.00 32.33 C ATOM 1171 O LEU A 72 4.035 3.680 -5.837 1.00 52.11 O ATOM 1172 CB LEU A 72 4.625 6.607 -4.513 1.00 10.02 C ATOM 1173 CG LEU A 72 5.690 7.452 -3.826 1.00 32.11 C ATOM 1174 CD1 LEU A 72 5.062 8.271 -2.709 1.00 45.44 C ATOM 1175 CD2 LEU A 72 6.792 6.561 -3.269 1.00 41.54 C ATOM 0 H LEU A 72 5.118 7.687 -6.694 1.00 20.04 H new ATOM 0 HA LEU A 72 5.969 5.265 -5.517 1.00 31.22 H new ATOM 0 HB2 LEU A 72 3.803 7.264 -4.799 1.00 10.02 H new ATOM 0 HB3 LEU A 72 4.229 5.901 -3.783 1.00 10.02 H new ATOM 0 HG LEU A 72 6.128 8.130 -4.558 1.00 32.11 H new ATOM 0 HD11 LEU A 72 5.830 8.872 -2.223 1.00 45.44 H new ATOM 0 HD12 LEU A 72 4.297 8.927 -3.125 1.00 45.44 H new ATOM 0 HD13 LEU A 72 4.608 7.602 -1.978 1.00 45.44 H new ATOM 0 HD21 LEU A 72 7.547 7.178 -2.781 1.00 41.54 H new ATOM 0 HD22 LEU A 72 6.367 5.866 -2.545 1.00 41.54 H new ATOM 0 HD23 LEU A 72 7.253 6.000 -4.082 1.00 41.54 H new ATOM 1187 N LEU A 73 2.998 5.357 -6.878 1.00 20.31 N ATOM 1188 CA LEU A 73 1.826 4.574 -7.256 1.00 1.43 C ATOM 1189 C LEU A 73 2.227 3.447 -8.200 1.00 44.31 C ATOM 1190 O LEU A 73 1.602 2.387 -8.239 1.00 43.05 O ATOM 1191 CB LEU A 73 0.773 5.487 -7.901 1.00 1.51 C ATOM 1192 CG LEU A 73 0.323 6.694 -7.055 1.00 74.34 C ATOM 1193 CD1 LEU A 73 -0.688 7.550 -7.788 1.00 2.15 C ATOM 1194 CD2 LEU A 73 -0.239 6.258 -5.717 1.00 25.23 C ATOM 0 H LEU A 73 2.996 6.311 -7.238 1.00 20.31 H new ATOM 0 HA LEU A 73 1.390 4.126 -6.363 1.00 1.43 H new ATOM 0 HB2 LEU A 73 1.171 5.858 -8.846 1.00 1.51 H new ATOM 0 HB3 LEU A 73 -0.105 4.886 -8.138 1.00 1.51 H new ATOM 0 HG LEU A 73 1.213 7.297 -6.876 1.00 74.34 H new ATOM 0 HD11 LEU A 73 -0.979 8.390 -7.157 1.00 2.15 H new ATOM 0 HD12 LEU A 73 -0.246 7.926 -8.711 1.00 2.15 H new ATOM 0 HD13 LEU A 73 -1.568 6.952 -8.025 1.00 2.15 H new ATOM 0 HD21 LEU A 73 -0.546 7.136 -5.148 1.00 25.23 H new ATOM 0 HD22 LEU A 73 -1.101 5.610 -5.878 1.00 25.23 H new ATOM 0 HD23 LEU A 73 0.525 5.714 -5.161 1.00 25.23 H new ATOM 1206 N SER A 74 3.295 3.673 -8.921 1.00 13.35 N ATOM 1207 CA SER A 74 3.828 2.704 -9.833 1.00 41.54 C ATOM 1208 C SER A 74 4.613 1.612 -9.087 1.00 45.10 C ATOM 1209 O SER A 74 4.547 0.436 -9.450 1.00 51.12 O ATOM 1210 CB SER A 74 4.688 3.413 -10.858 1.00 33.34 C ATOM 1211 OG SER A 74 3.912 4.386 -11.549 1.00 4.31 O ATOM 0 H SER A 74 3.822 4.546 -8.888 1.00 13.35 H new ATOM 0 HA SER A 74 3.009 2.201 -10.348 1.00 41.54 H new ATOM 0 HB2 SER A 74 5.535 3.892 -10.367 1.00 33.34 H new ATOM 0 HB3 SER A 74 5.096 2.691 -11.565 1.00 33.34 H new ATOM 0 HG SER A 74 3.899 5.220 -11.034 1.00 4.31 H new ATOM 1217 N GLU A 75 5.326 1.983 -8.028 1.00 14.04 N ATOM 1218 CA GLU A 75 6.049 0.988 -7.239 1.00 41.51 C ATOM 1219 C GLU A 75 5.102 0.244 -6.318 1.00 62.40 C ATOM 1220 O GLU A 75 5.369 -0.886 -5.918 1.00 63.43 O ATOM 1221 CB GLU A 75 7.197 1.590 -6.446 1.00 70.21 C ATOM 1222 CG GLU A 75 8.340 2.096 -7.296 1.00 51.03 C ATOM 1223 CD GLU A 75 9.506 2.546 -6.459 1.00 0.22 C ATOM 1224 OE1 GLU A 75 10.329 1.690 -6.048 1.00 61.10 O ATOM 1225 OE2 GLU A 75 9.640 3.756 -6.211 1.00 41.41 O ATOM 0 H GLU A 75 5.419 2.944 -7.700 1.00 14.04 H new ATOM 0 HA GLU A 75 6.486 0.284 -7.947 1.00 41.51 H new ATOM 0 HB2 GLU A 75 6.815 2.414 -5.844 1.00 70.21 H new ATOM 0 HB3 GLU A 75 7.578 0.839 -5.754 1.00 70.21 H new ATOM 0 HG2 GLU A 75 8.664 1.307 -7.975 1.00 51.03 H new ATOM 0 HG3 GLU A 75 7.994 2.926 -7.913 1.00 51.03 H new ATOM 1232 N PHE A 76 3.989 0.881 -6.001 1.00 31.51 N ATOM 1233 CA PHE A 76 2.947 0.283 -5.181 1.00 23.22 C ATOM 1234 C PHE A 76 2.456 -1.025 -5.805 1.00 72.31 C ATOM 1235 O PHE A 76 2.343 -2.046 -5.128 1.00 35.41 O ATOM 1236 CB PHE A 76 1.777 1.264 -5.004 1.00 34.24 C ATOM 1237 CG PHE A 76 0.662 0.716 -4.171 1.00 50.44 C ATOM 1238 CD1 PHE A 76 0.806 0.596 -2.803 1.00 62.43 C ATOM 1239 CD2 PHE A 76 -0.518 0.296 -4.760 1.00 61.42 C ATOM 1240 CE1 PHE A 76 -0.204 0.071 -2.033 1.00 41.43 C ATOM 1241 CE2 PHE A 76 -1.534 -0.238 -3.997 1.00 11.35 C ATOM 1242 CZ PHE A 76 -1.375 -0.350 -2.627 1.00 60.21 C ATOM 0 H PHE A 76 3.780 1.832 -6.306 1.00 31.51 H new ATOM 0 HA PHE A 76 3.366 0.060 -4.200 1.00 23.22 H new ATOM 0 HB2 PHE A 76 2.147 2.180 -4.544 1.00 34.24 H new ATOM 0 HB3 PHE A 76 1.388 1.535 -5.986 1.00 34.24 H new ATOM 0 HD1 PHE A 76 1.723 0.919 -2.333 1.00 62.43 H new ATOM 0 HD2 PHE A 76 -0.644 0.388 -5.829 1.00 61.42 H new ATOM 0 HE1 PHE A 76 -0.081 -0.012 -0.963 1.00 41.43 H new ATOM 0 HE2 PHE A 76 -2.449 -0.567 -4.466 1.00 11.35 H new ATOM 0 HZ PHE A 76 -2.168 -0.767 -2.023 1.00 60.21 H new ATOM 1252 N GLY A 77 2.226 -0.996 -7.110 1.00 50.14 N ATOM 1253 CA GLY A 77 1.750 -2.173 -7.812 1.00 72.22 C ATOM 1254 C GLY A 77 2.797 -3.270 -7.874 1.00 20.40 C ATOM 1255 O GLY A 77 2.470 -4.437 -8.037 1.00 30.31 O ATOM 0 H GLY A 77 2.361 -0.174 -7.699 1.00 50.14 H new ATOM 0 HA2 GLY A 77 0.858 -2.553 -7.315 1.00 72.22 H new ATOM 0 HA3 GLY A 77 1.457 -1.896 -8.825 1.00 72.22 H new ATOM 1259 N GLN A 78 4.045 -2.890 -7.713 1.00 24.34 N ATOM 1260 CA GLN A 78 5.152 -3.819 -7.728 1.00 33.00 C ATOM 1261 C GLN A 78 5.298 -4.465 -6.347 1.00 31.45 C ATOM 1262 O GLN A 78 5.581 -5.656 -6.225 1.00 73.41 O ATOM 1263 CB GLN A 78 6.429 -3.066 -8.100 1.00 2.35 C ATOM 1264 CG GLN A 78 7.685 -3.907 -8.089 1.00 25.12 C ATOM 1265 CD GLN A 78 8.925 -3.090 -8.374 1.00 60.10 C ATOM 1266 OE1 GLN A 78 8.993 -1.899 -8.047 1.00 73.13 O ATOM 1267 NE2 GLN A 78 9.904 -3.700 -8.975 1.00 74.14 N ATOM 0 H GLN A 78 4.322 -1.919 -7.567 1.00 24.34 H new ATOM 0 HA GLN A 78 4.971 -4.603 -8.463 1.00 33.00 H new ATOM 0 HB2 GLN A 78 6.305 -2.636 -9.094 1.00 2.35 H new ATOM 0 HB3 GLN A 78 6.559 -2.234 -7.407 1.00 2.35 H new ATOM 0 HG2 GLN A 78 7.787 -4.391 -7.118 1.00 25.12 H new ATOM 0 HG3 GLN A 78 7.596 -4.699 -8.832 1.00 25.12 H new ATOM 0 HE21 GLN A 78 9.812 -4.683 -9.230 1.00 74.14 H new ATOM 0 HE22 GLN A 78 10.763 -3.195 -9.191 1.00 74.14 H new ATOM 1276 N PHE A 79 5.084 -3.667 -5.317 1.00 44.21 N ATOM 1277 CA PHE A 79 5.190 -4.116 -3.939 1.00 24.40 C ATOM 1278 C PHE A 79 4.061 -5.094 -3.583 1.00 74.10 C ATOM 1279 O PHE A 79 4.237 -5.990 -2.746 1.00 71.11 O ATOM 1280 CB PHE A 79 5.207 -2.892 -2.988 1.00 70.42 C ATOM 1281 CG PHE A 79 5.198 -3.223 -1.510 1.00 52.23 C ATOM 1282 CD1 PHE A 79 6.293 -3.822 -0.899 1.00 55.42 C ATOM 1283 CD2 PHE A 79 4.085 -2.928 -0.735 1.00 41.31 C ATOM 1284 CE1 PHE A 79 6.269 -4.118 0.449 1.00 14.41 C ATOM 1285 CE2 PHE A 79 4.063 -3.224 0.613 1.00 33.41 C ATOM 1286 CZ PHE A 79 5.156 -3.820 1.204 1.00 32.53 C ATOM 0 H PHE A 79 4.830 -2.684 -5.412 1.00 44.21 H new ATOM 0 HA PHE A 79 6.127 -4.659 -3.818 1.00 24.40 H new ATOM 0 HB2 PHE A 79 6.093 -2.296 -3.205 1.00 70.42 H new ATOM 0 HB3 PHE A 79 4.341 -2.268 -3.209 1.00 70.42 H new ATOM 0 HD1 PHE A 79 7.170 -4.058 -1.484 1.00 55.42 H new ATOM 0 HD2 PHE A 79 3.225 -2.461 -1.192 1.00 41.31 H new ATOM 0 HE1 PHE A 79 7.125 -4.585 0.913 1.00 14.41 H new ATOM 0 HE2 PHE A 79 3.190 -2.989 1.204 1.00 33.41 H new ATOM 0 HZ PHE A 79 5.140 -4.053 2.258 1.00 32.53 H new ATOM 1296 N LEU A 80 2.934 -4.941 -4.229 1.00 30.13 N ATOM 1297 CA LEU A 80 1.768 -5.764 -3.952 1.00 71.44 C ATOM 1298 C LEU A 80 1.724 -7.098 -4.703 1.00 11.43 C ATOM 1299 O LEU A 80 2.440 -7.292 -5.699 1.00 23.22 O ATOM 1300 CB LEU A 80 0.474 -4.988 -4.158 1.00 52.02 C ATOM 1301 CG LEU A 80 -0.059 -4.306 -2.916 1.00 33.44 C ATOM 1302 CD1 LEU A 80 0.787 -3.133 -2.509 1.00 71.14 C ATOM 1303 CD2 LEU A 80 -1.506 -3.952 -3.093 1.00 75.04 C ATOM 0 H LEU A 80 2.791 -4.246 -4.962 1.00 30.13 H new ATOM 0 HA LEU A 80 1.867 -6.028 -2.899 1.00 71.44 H new ATOM 0 HB2 LEU A 80 0.637 -4.234 -4.928 1.00 52.02 H new ATOM 0 HB3 LEU A 80 -0.287 -5.671 -4.536 1.00 52.02 H new ATOM 0 HG LEU A 80 0.002 -5.010 -2.086 1.00 33.44 H new ATOM 0 HD11 LEU A 80 0.367 -2.675 -1.614 1.00 71.14 H new ATOM 0 HD12 LEU A 80 1.802 -3.471 -2.301 1.00 71.14 H new ATOM 0 HD13 LEU A 80 0.806 -2.401 -3.316 1.00 71.14 H new ATOM 0 HD21 LEU A 80 -1.874 -3.463 -2.191 1.00 75.04 H new ATOM 0 HD22 LEU A 80 -1.614 -3.277 -3.942 1.00 75.04 H new ATOM 0 HD23 LEU A 80 -2.083 -4.859 -3.275 1.00 75.04 H new ATOM 1315 N PRO A 81 0.887 -8.056 -4.196 1.00 14.42 N ATOM 1316 CA PRO A 81 0.690 -9.372 -4.816 1.00 32.23 C ATOM 1317 C PRO A 81 0.089 -9.262 -6.226 1.00 3.03 C ATOM 1318 O PRO A 81 -0.974 -8.655 -6.428 1.00 3.34 O ATOM 1319 CB PRO A 81 -0.295 -10.082 -3.867 1.00 53.50 C ATOM 1320 CG PRO A 81 -0.928 -8.998 -3.062 1.00 43.24 C ATOM 1321 CD PRO A 81 0.077 -7.919 -2.955 1.00 65.32 C ATOM 0 HA PRO A 81 1.632 -9.905 -4.943 1.00 32.23 H new ATOM 0 HB2 PRO A 81 -1.044 -10.643 -4.427 1.00 53.50 H new ATOM 0 HB3 PRO A 81 0.223 -10.795 -3.226 1.00 53.50 H new ATOM 0 HG2 PRO A 81 -1.837 -8.636 -3.543 1.00 43.24 H new ATOM 0 HG3 PRO A 81 -1.213 -9.363 -2.075 1.00 43.24 H new ATOM 0 HD2 PRO A 81 -0.395 -6.939 -2.893 1.00 65.32 H new ATOM 0 HD3 PRO A 81 0.692 -8.034 -2.062 1.00 65.32 H new ATOM 1329 N GLU A 82 0.751 -9.880 -7.180 1.00 33.51 N ATOM 1330 CA GLU A 82 0.361 -9.799 -8.579 1.00 1.53 C ATOM 1331 C GLU A 82 -0.912 -10.595 -8.886 1.00 3.12 C ATOM 1332 O GLU A 82 -1.741 -10.164 -9.692 1.00 75.41 O ATOM 1333 CB GLU A 82 1.515 -10.243 -9.476 1.00 64.12 C ATOM 1334 CG GLU A 82 2.008 -11.649 -9.202 1.00 40.10 C ATOM 1335 CD GLU A 82 3.171 -12.015 -10.064 1.00 53.01 C ATOM 1336 OE1 GLU A 82 2.956 -12.426 -11.214 1.00 14.33 O ATOM 1337 OE2 GLU A 82 4.327 -11.888 -9.607 1.00 11.20 O ATOM 0 H GLU A 82 1.577 -10.455 -7.012 1.00 33.51 H new ATOM 0 HA GLU A 82 0.128 -8.755 -8.789 1.00 1.53 H new ATOM 0 HB2 GLU A 82 1.198 -10.178 -10.517 1.00 64.12 H new ATOM 0 HB3 GLU A 82 2.345 -9.548 -9.352 1.00 64.12 H new ATOM 0 HG2 GLU A 82 2.293 -11.735 -8.154 1.00 40.10 H new ATOM 0 HG3 GLU A 82 1.196 -12.356 -9.370 1.00 40.10 H new ATOM 1344 N ALA A 83 -1.089 -11.725 -8.224 1.00 72.34 N ATOM 1345 CA ALA A 83 -2.249 -12.570 -8.463 1.00 61.25 C ATOM 1346 C ALA A 83 -3.499 -11.939 -7.869 1.00 43.22 C ATOM 1347 O ALA A 83 -4.611 -12.163 -8.336 1.00 63.43 O ATOM 1348 CB ALA A 83 -2.023 -13.967 -7.906 1.00 54.11 C ATOM 0 H ALA A 83 -0.445 -12.080 -7.517 1.00 72.34 H new ATOM 0 HA ALA A 83 -2.394 -12.660 -9.540 1.00 61.25 H new ATOM 0 HB1 ALA A 83 -2.903 -14.581 -8.096 1.00 54.11 H new ATOM 0 HB2 ALA A 83 -1.156 -14.416 -8.390 1.00 54.11 H new ATOM 0 HB3 ALA A 83 -1.848 -13.906 -6.832 1.00 54.11 H new ATOM 1354 N LYS A 84 -3.310 -11.149 -6.840 1.00 73.44 N ATOM 1355 CA LYS A 84 -4.400 -10.444 -6.197 1.00 70.13 C ATOM 1356 C LYS A 84 -4.787 -9.196 -6.967 1.00 1.43 C ATOM 1357 O LYS A 84 -5.849 -8.631 -6.739 1.00 2.50 O ATOM 1358 CB LYS A 84 -4.015 -10.100 -4.788 1.00 64.12 C ATOM 1359 CG LYS A 84 -3.884 -11.308 -3.892 1.00 52.01 C ATOM 1360 CD LYS A 84 -5.249 -11.875 -3.519 1.00 3.24 C ATOM 1361 CE LYS A 84 -5.124 -13.018 -2.533 1.00 32.53 C ATOM 1362 NZ LYS A 84 -6.436 -13.502 -2.074 1.00 54.23 N ATOM 0 H LYS A 84 -2.396 -10.974 -6.422 1.00 73.44 H new ATOM 0 HA LYS A 84 -5.272 -11.098 -6.182 1.00 70.13 H new ATOM 0 HB2 LYS A 84 -3.068 -9.560 -4.799 1.00 64.12 H new ATOM 0 HB3 LYS A 84 -4.762 -9.425 -4.369 1.00 64.12 H new ATOM 0 HG2 LYS A 84 -3.295 -12.075 -4.396 1.00 52.01 H new ATOM 0 HG3 LYS A 84 -3.342 -11.034 -2.987 1.00 52.01 H new ATOM 0 HD2 LYS A 84 -5.866 -11.087 -3.088 1.00 3.24 H new ATOM 0 HD3 LYS A 84 -5.758 -12.222 -4.418 1.00 3.24 H new ATOM 0 HE2 LYS A 84 -4.578 -13.839 -2.998 1.00 32.53 H new ATOM 0 HE3 LYS A 84 -4.538 -12.692 -1.674 1.00 32.53 H new ATOM 0 HZ1 LYS A 84 -6.354 -13.858 -1.100 1.00 54.23 H new ATOM 0 HZ2 LYS A 84 -7.123 -12.721 -2.100 1.00 54.23 H new ATOM 0 HZ3 LYS A 84 -6.760 -14.269 -2.697 1.00 54.23 H new ATOM 1376 N ARG A 85 -3.913 -8.760 -7.849 1.00 51.11 N ATOM 1377 CA ARG A 85 -4.205 -7.626 -8.707 1.00 42.42 C ATOM 1378 C ARG A 85 -4.689 -8.132 -10.065 1.00 31.24 C ATOM 1379 O ARG A 85 -4.740 -9.365 -10.297 1.00 71.44 O ATOM 1380 CB ARG A 85 -2.972 -6.721 -8.879 1.00 1.33 C ATOM 1381 CG ARG A 85 -3.237 -5.478 -9.730 1.00 61.11 C ATOM 1382 CD ARG A 85 -1.987 -4.620 -9.923 1.00 34.43 C ATOM 1383 NE ARG A 85 -0.940 -5.306 -10.698 1.00 33.11 N ATOM 1384 CZ ARG A 85 0.147 -4.717 -11.237 1.00 13.31 C ATOM 1385 NH1 ARG A 85 0.328 -3.397 -11.142 1.00 14.05 N ATOM 1386 NH2 ARG A 85 1.023 -5.447 -11.909 1.00 44.12 N ATOM 0 H ARG A 85 -2.992 -9.173 -7.993 1.00 51.11 H new ATOM 0 HA ARG A 85 -4.987 -7.028 -8.240 1.00 42.42 H new ATOM 0 HB2 ARG A 85 -2.621 -6.409 -7.895 1.00 1.33 H new ATOM 0 HB3 ARG A 85 -2.169 -7.299 -9.336 1.00 1.33 H new ATOM 0 HG2 ARG A 85 -3.617 -5.784 -10.705 1.00 61.11 H new ATOM 0 HG3 ARG A 85 -4.015 -4.878 -9.258 1.00 61.11 H new ATOM 0 HD2 ARG A 85 -2.261 -3.695 -10.430 1.00 34.43 H new ATOM 0 HD3 ARG A 85 -1.588 -4.342 -8.947 1.00 34.43 H new ATOM 0 HE ARG A 85 -1.045 -6.311 -10.839 1.00 33.11 H new ATOM 0 HH11 ARG A 85 -0.360 -2.821 -10.657 1.00 14.05 H new ATOM 0 HH12 ARG A 85 1.155 -2.965 -11.554 1.00 14.05 H new ATOM 0 HH21 ARG A 85 0.874 -6.450 -12.017 1.00 44.12 H new ATOM 0 HH22 ARG A 85 1.847 -5.006 -12.319 1.00 44.12 H new TER 1400 ARG A 85