USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 8 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 9 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 12 SER OG : rot 76:sc= 0.963 USER MOD Single : A 13 TYR OH : rot -57:sc= 0.802 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 89:sc= 0.507 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= -0.0998 USER MOD Single : A 30 SER OG : rot 75:sc= 1.3 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 38 TYR OH : rot -19:sc= 0.0125 USER MOD Single : A 39 GLN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.42) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 45 THR OG1 : rot -6:sc= 1.01 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.12) USER MOD Single : A 53 MET CE :methyl -124:sc= -3.47! (180deg=-6.21!) USER MOD Single : A 54 SER OG : rot 110:sc= -0.216 USER MOD Single : A 60 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 64 ASN : amide:sc= 0.863 K(o=0.86,f=-0.46) USER MOD Single : A 69 GLN : amide:sc=-0.000854 X(o=-0.00085,f=-0.00085) USER MOD Single : A 74 SER OG : rot 81:sc= 1.25 USER MOD Single : A 78 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.78) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.577 -10.459 11.291 1.00 5.14 N ATOM 2 CA GLU A 1 18.156 -9.672 10.146 1.00 62.32 C ATOM 3 C GLU A 1 18.559 -10.369 8.846 1.00 53.14 C ATOM 4 O GLU A 1 19.748 -10.533 8.551 1.00 74.21 O ATOM 5 CB GLU A 1 18.763 -8.259 10.208 1.00 33.34 C ATOM 6 CG GLU A 1 18.432 -7.366 9.013 1.00 14.32 C ATOM 7 CD GLU A 1 19.101 -6.013 9.097 1.00 34.35 C ATOM 8 OE1 GLU A 1 20.351 -5.941 9.003 1.00 72.34 O ATOM 9 OE2 GLU A 1 18.403 -4.990 9.256 1.00 55.12 O ATOM 0 H1 GLU A 1 18.297 -9.974 12.167 1.00 5.14 H new ATOM 0 H2 GLU A 1 18.125 -11.395 11.254 1.00 5.14 H new ATOM 0 H3 GLU A 1 19.611 -10.572 11.273 1.00 5.14 H new ATOM 0 HA GLU A 1 17.070 -9.581 10.170 1.00 62.32 H new ATOM 0 HB2 GLU A 1 18.415 -7.769 11.117 1.00 33.34 H new ATOM 0 HB3 GLU A 1 19.846 -8.348 10.288 1.00 33.34 H new ATOM 0 HG2 GLU A 1 18.742 -7.864 8.095 1.00 14.32 H new ATOM 0 HG3 GLU A 1 17.352 -7.230 8.953 1.00 14.32 H new ATOM 16 N SER A 2 17.582 -10.816 8.123 1.00 30.52 N ATOM 17 CA SER A 2 17.785 -11.392 6.835 1.00 60.13 C ATOM 18 C SER A 2 17.447 -10.325 5.799 1.00 64.02 C ATOM 19 O SER A 2 17.091 -9.194 6.167 1.00 62.13 O ATOM 20 CB SER A 2 16.879 -12.610 6.686 1.00 42.50 C ATOM 21 OG SER A 2 17.103 -13.525 7.758 1.00 12.11 O ATOM 0 H SER A 2 16.606 -10.790 8.417 1.00 30.52 H new ATOM 0 HA SER A 2 18.815 -11.720 6.699 1.00 60.13 H new ATOM 0 HB2 SER A 2 15.835 -12.297 6.678 1.00 42.50 H new ATOM 0 HB3 SER A 2 17.072 -13.101 5.732 1.00 42.50 H new ATOM 0 HG SER A 2 16.515 -14.302 7.653 1.00 12.11 H new ATOM 27 N ASP A 3 17.558 -10.634 4.546 1.00 24.20 N ATOM 28 CA ASP A 3 17.248 -9.657 3.537 1.00 74.42 C ATOM 29 C ASP A 3 16.076 -10.065 2.719 1.00 34.54 C ATOM 30 O ASP A 3 16.163 -10.940 1.857 1.00 40.45 O ATOM 31 CB ASP A 3 18.432 -9.310 2.639 1.00 21.04 C ATOM 32 CG ASP A 3 19.516 -8.553 3.359 1.00 31.22 C ATOM 33 OD1 ASP A 3 19.458 -7.304 3.405 1.00 30.43 O ATOM 34 OD2 ASP A 3 20.449 -9.190 3.891 1.00 23.12 O ATOM 0 H ASP A 3 17.857 -11.543 4.194 1.00 24.20 H new ATOM 0 HA ASP A 3 16.994 -8.749 4.084 1.00 74.42 H new ATOM 0 HB2 ASP A 3 18.850 -10.229 2.228 1.00 21.04 H new ATOM 0 HB3 ASP A 3 18.080 -8.715 1.796 1.00 21.04 H new ATOM 39 N SER A 4 14.982 -9.470 3.019 1.00 61.13 N ATOM 40 CA SER A 4 13.800 -9.647 2.281 1.00 61.00 C ATOM 41 C SER A 4 13.806 -8.571 1.227 1.00 50.44 C ATOM 42 O SER A 4 13.628 -7.389 1.513 1.00 5.44 O ATOM 43 CB SER A 4 12.579 -9.610 3.203 1.00 43.45 C ATOM 44 OG SER A 4 11.387 -9.898 2.487 1.00 50.22 O ATOM 0 H SER A 4 14.887 -8.830 3.807 1.00 61.13 H new ATOM 0 HA SER A 4 13.746 -10.623 1.798 1.00 61.00 H new ATOM 0 HB2 SER A 4 12.706 -10.333 4.009 1.00 43.45 H new ATOM 0 HB3 SER A 4 12.500 -8.627 3.667 1.00 43.45 H new ATOM 0 HG SER A 4 10.623 -9.870 3.100 1.00 50.22 H new ATOM 50 N VAL A 5 14.113 -8.982 0.027 1.00 21.12 N ATOM 51 CA VAL A 5 14.342 -8.096 -1.080 1.00 74.12 C ATOM 52 C VAL A 5 13.074 -7.384 -1.495 1.00 21.20 C ATOM 53 O VAL A 5 13.077 -6.166 -1.739 1.00 41.10 O ATOM 54 CB VAL A 5 14.936 -8.880 -2.255 1.00 54.22 C ATOM 55 CG1 VAL A 5 15.239 -7.966 -3.409 1.00 41.01 C ATOM 56 CG2 VAL A 5 16.188 -9.604 -1.798 1.00 23.32 C ATOM 0 H VAL A 5 14.213 -9.968 -0.213 1.00 21.12 H new ATOM 0 HA VAL A 5 15.052 -7.331 -0.765 1.00 74.12 H new ATOM 0 HB VAL A 5 14.206 -9.613 -2.598 1.00 54.22 H new ATOM 0 HG11 VAL A 5 15.660 -8.545 -4.231 1.00 41.01 H new ATOM 0 HG12 VAL A 5 14.321 -7.481 -3.740 1.00 41.01 H new ATOM 0 HG13 VAL A 5 15.957 -7.208 -3.094 1.00 41.01 H new ATOM 0 HG21 VAL A 5 16.611 -10.162 -2.633 1.00 23.32 H new ATOM 0 HG22 VAL A 5 16.918 -8.878 -1.440 1.00 23.32 H new ATOM 0 HG23 VAL A 5 15.936 -10.293 -0.992 1.00 23.32 H new ATOM 66 N GLU A 6 11.990 -8.116 -1.521 1.00 40.04 N ATOM 67 CA GLU A 6 10.705 -7.543 -1.894 1.00 55.12 C ATOM 68 C GLU A 6 10.273 -6.558 -0.832 1.00 75.23 C ATOM 69 O GLU A 6 9.721 -5.499 -1.118 1.00 51.41 O ATOM 70 CB GLU A 6 9.667 -8.637 -2.055 1.00 53.11 C ATOM 71 CG GLU A 6 10.109 -9.710 -3.015 1.00 64.12 C ATOM 72 CD GLU A 6 10.466 -9.176 -4.375 1.00 43.10 C ATOM 73 OE1 GLU A 6 11.619 -8.803 -4.596 1.00 71.32 O ATOM 74 OE2 GLU A 6 9.596 -9.143 -5.259 1.00 72.00 O ATOM 0 H GLU A 6 11.963 -9.109 -1.290 1.00 40.04 H new ATOM 0 HA GLU A 6 10.803 -7.025 -2.848 1.00 55.12 H new ATOM 0 HB2 GLU A 6 9.461 -9.085 -1.083 1.00 53.11 H new ATOM 0 HB3 GLU A 6 8.733 -8.199 -2.408 1.00 53.11 H new ATOM 0 HG2 GLU A 6 10.972 -10.229 -2.598 1.00 64.12 H new ATOM 0 HG3 GLU A 6 9.313 -10.447 -3.118 1.00 64.12 H new ATOM 81 N PHE A 7 10.620 -6.893 0.383 1.00 24.03 N ATOM 82 CA PHE A 7 10.334 -6.106 1.534 1.00 52.14 C ATOM 83 C PHE A 7 11.156 -4.849 1.497 1.00 73.02 C ATOM 84 O PHE A 7 10.631 -3.808 1.641 1.00 33.34 O ATOM 85 CB PHE A 7 10.630 -6.953 2.747 1.00 5.22 C ATOM 86 CG PHE A 7 10.502 -6.323 4.096 1.00 5.35 C ATOM 87 CD1 PHE A 7 9.262 -6.177 4.688 1.00 24.03 C ATOM 88 CD2 PHE A 7 11.626 -5.920 4.789 1.00 54.40 C ATOM 89 CE1 PHE A 7 9.142 -5.628 5.951 1.00 71.45 C ATOM 90 CE2 PHE A 7 11.520 -5.377 6.053 1.00 54.31 C ATOM 91 CZ PHE A 7 10.273 -5.230 6.637 1.00 30.20 C ATOM 0 H PHE A 7 11.126 -7.752 0.596 1.00 24.03 H new ATOM 0 HA PHE A 7 9.289 -5.799 1.566 1.00 52.14 H new ATOM 0 HB2 PHE A 7 9.967 -7.818 2.719 1.00 5.22 H new ATOM 0 HB3 PHE A 7 11.649 -7.329 2.650 1.00 5.22 H new ATOM 0 HD1 PHE A 7 8.377 -6.495 4.158 1.00 24.03 H new ATOM 0 HD2 PHE A 7 12.600 -6.031 4.336 1.00 54.40 H new ATOM 0 HE1 PHE A 7 8.167 -5.511 6.400 1.00 71.45 H new ATOM 0 HE2 PHE A 7 12.407 -5.067 6.585 1.00 54.31 H new ATOM 0 HZ PHE A 7 10.185 -4.805 7.626 1.00 30.20 H new ATOM 101 N ASN A 8 12.440 -4.963 1.238 1.00 51.43 N ATOM 102 CA ASN A 8 13.315 -3.783 1.161 1.00 63.35 C ATOM 103 C ASN A 8 12.926 -2.847 0.024 1.00 32.12 C ATOM 104 O ASN A 8 13.033 -1.621 0.159 1.00 44.54 O ATOM 105 CB ASN A 8 14.800 -4.155 1.123 1.00 61.34 C ATOM 106 CG ASN A 8 15.372 -4.427 2.513 1.00 15.04 C ATOM 107 OD1 ASN A 8 15.862 -3.513 3.187 1.00 3.43 O ATOM 108 ND2 ASN A 8 15.301 -5.652 2.965 1.00 53.13 N ATOM 0 H ASN A 8 12.913 -5.852 1.076 1.00 51.43 H new ATOM 0 HA ASN A 8 13.161 -3.229 2.087 1.00 63.35 H new ATOM 0 HB2 ASN A 8 14.934 -5.039 0.500 1.00 61.34 H new ATOM 0 HB3 ASN A 8 15.362 -3.347 0.655 1.00 61.34 H new ATOM 0 HD21 ASN A 8 15.655 -5.874 3.896 1.00 53.13 H new ATOM 0 HD22 ASN A 8 14.892 -6.386 2.387 1.00 53.13 H new ATOM 115 N ASN A 9 12.443 -3.413 -1.079 1.00 44.45 N ATOM 116 CA ASN A 9 11.869 -2.605 -2.170 1.00 21.44 C ATOM 117 C ASN A 9 10.671 -1.851 -1.637 1.00 65.51 C ATOM 118 O ASN A 9 10.554 -0.633 -1.805 1.00 13.52 O ATOM 119 CB ASN A 9 11.437 -3.474 -3.368 1.00 32.12 C ATOM 120 CG ASN A 9 12.545 -3.745 -4.372 1.00 70.34 C ATOM 121 OD1 ASN A 9 12.724 -2.992 -5.338 1.00 0.32 O ATOM 122 ND2 ASN A 9 13.289 -4.800 -4.172 1.00 61.03 N ATOM 0 H ASN A 9 12.434 -4.419 -1.248 1.00 44.45 H new ATOM 0 HA ASN A 9 12.636 -1.916 -2.524 1.00 21.44 H new ATOM 0 HB2 ASN A 9 11.059 -4.426 -2.995 1.00 32.12 H new ATOM 0 HB3 ASN A 9 10.610 -2.982 -3.880 1.00 32.12 H new ATOM 0 HD21 ASN A 9 14.043 -5.023 -4.822 1.00 61.03 H new ATOM 0 HD22 ASN A 9 13.116 -5.401 -3.366 1.00 61.03 H new ATOM 129 N ALA A 10 9.812 -2.584 -0.944 1.00 54.04 N ATOM 130 CA ALA A 10 8.635 -2.037 -0.305 1.00 14.11 C ATOM 131 C ALA A 10 9.018 -0.978 0.736 1.00 62.40 C ATOM 132 O ALA A 10 8.376 0.052 0.825 1.00 44.41 O ATOM 133 CB ALA A 10 7.820 -3.157 0.350 1.00 73.24 C ATOM 0 H ALA A 10 9.919 -3.590 -0.811 1.00 54.04 H new ATOM 0 HA ALA A 10 8.024 -1.556 -1.069 1.00 14.11 H new ATOM 0 HB1 ALA A 10 6.937 -2.733 0.828 1.00 73.24 H new ATOM 0 HB2 ALA A 10 7.512 -3.875 -0.410 1.00 73.24 H new ATOM 0 HB3 ALA A 10 8.431 -3.661 1.099 1.00 73.24 H new ATOM 139 N ILE A 11 10.077 -1.231 1.501 1.00 53.43 N ATOM 140 CA ILE A 11 10.514 -0.307 2.536 1.00 23.42 C ATOM 141 C ILE A 11 11.016 0.970 1.928 1.00 20.24 C ATOM 142 O ILE A 11 10.716 2.028 2.411 1.00 41.14 O ATOM 143 CB ILE A 11 11.625 -0.853 3.456 1.00 23.34 C ATOM 144 CG1 ILE A 11 11.273 -2.222 4.019 1.00 41.15 C ATOM 145 CG2 ILE A 11 11.880 0.124 4.591 1.00 33.20 C ATOM 146 CD1 ILE A 11 9.864 -2.386 4.547 1.00 71.24 C ATOM 0 H ILE A 11 10.648 -2.072 1.421 1.00 53.43 H new ATOM 0 HA ILE A 11 9.627 -0.144 3.148 1.00 23.42 H new ATOM 0 HB ILE A 11 12.528 -0.965 2.856 1.00 23.34 H new ATOM 0 HG12 ILE A 11 11.435 -2.965 3.238 1.00 41.15 H new ATOM 0 HG13 ILE A 11 11.970 -2.450 4.826 1.00 41.15 H new ATOM 0 HG21 ILE A 11 12.666 -0.267 5.238 1.00 33.20 H new ATOM 0 HG22 ILE A 11 12.192 1.085 4.181 1.00 33.20 H new ATOM 0 HG23 ILE A 11 10.966 0.256 5.170 1.00 33.20 H new ATOM 0 HD11 ILE A 11 9.732 -3.401 4.921 1.00 71.24 H new ATOM 0 HD12 ILE A 11 9.694 -1.676 5.356 1.00 71.24 H new ATOM 0 HD13 ILE A 11 9.151 -2.199 3.744 1.00 71.24 H new ATOM 158 N SER A 12 11.780 0.859 0.861 1.00 5.11 N ATOM 159 CA SER A 12 12.296 2.023 0.172 1.00 71.14 C ATOM 160 C SER A 12 11.144 2.842 -0.397 1.00 35.44 C ATOM 161 O SER A 12 11.148 4.068 -0.321 1.00 25.14 O ATOM 162 CB SER A 12 13.286 1.597 -0.893 1.00 43.44 C ATOM 163 OG SER A 12 14.333 0.846 -0.288 1.00 1.33 O ATOM 0 H SER A 12 12.059 -0.032 0.450 1.00 5.11 H new ATOM 0 HA SER A 12 12.832 2.663 0.873 1.00 71.14 H new ATOM 0 HB2 SER A 12 12.785 0.997 -1.653 1.00 43.44 H new ATOM 0 HB3 SER A 12 13.695 2.473 -1.397 1.00 43.44 H new ATOM 0 HG SER A 12 14.009 -0.054 -0.074 1.00 1.33 H new ATOM 169 N TYR A 13 10.143 2.143 -0.917 1.00 22.13 N ATOM 170 CA TYR A 13 8.905 2.757 -1.344 1.00 42.45 C ATOM 171 C TYR A 13 8.255 3.501 -0.159 1.00 73.14 C ATOM 172 O TYR A 13 7.885 4.671 -0.276 1.00 11.22 O ATOM 173 CB TYR A 13 7.979 1.667 -1.929 1.00 22.14 C ATOM 174 CG TYR A 13 6.501 1.984 -1.922 1.00 51.44 C ATOM 175 CD1 TYR A 13 5.971 2.997 -2.700 1.00 31.33 C ATOM 176 CD2 TYR A 13 5.633 1.250 -1.123 1.00 52.53 C ATOM 177 CE1 TYR A 13 4.622 3.267 -2.677 1.00 32.22 C ATOM 178 CE2 TYR A 13 4.286 1.515 -1.100 1.00 74.44 C ATOM 179 CZ TYR A 13 3.787 2.526 -1.877 1.00 25.13 C ATOM 180 OH TYR A 13 2.448 2.799 -1.857 1.00 71.14 O ATOM 0 H TYR A 13 10.173 1.132 -1.052 1.00 22.13 H new ATOM 0 HA TYR A 13 9.093 3.495 -2.124 1.00 42.45 H new ATOM 0 HB2 TYR A 13 8.284 1.471 -2.957 1.00 22.14 H new ATOM 0 HB3 TYR A 13 8.136 0.745 -1.369 1.00 22.14 H new ATOM 0 HD1 TYR A 13 6.623 3.582 -3.332 1.00 31.33 H new ATOM 0 HD2 TYR A 13 6.026 0.455 -0.507 1.00 52.53 H new ATOM 0 HE1 TYR A 13 4.220 4.062 -3.288 1.00 32.22 H new ATOM 0 HE2 TYR A 13 3.626 0.932 -0.475 1.00 74.44 H new ATOM 0 HH TYR A 13 2.309 3.734 -1.598 1.00 71.14 H new ATOM 190 N VAL A 14 8.168 2.822 0.974 1.00 74.53 N ATOM 191 CA VAL A 14 7.604 3.390 2.189 1.00 25.34 C ATOM 192 C VAL A 14 8.428 4.577 2.699 1.00 52.31 C ATOM 193 O VAL A 14 7.875 5.599 3.048 1.00 34.11 O ATOM 194 CB VAL A 14 7.427 2.325 3.310 1.00 60.30 C ATOM 195 CG1 VAL A 14 6.994 2.977 4.607 1.00 41.21 C ATOM 196 CG2 VAL A 14 6.396 1.286 2.898 1.00 72.04 C ATOM 0 H VAL A 14 8.487 1.859 1.077 1.00 74.53 H new ATOM 0 HA VAL A 14 6.613 3.756 1.923 1.00 25.34 H new ATOM 0 HB VAL A 14 8.389 1.837 3.463 1.00 60.30 H new ATOM 0 HG11 VAL A 14 6.876 2.214 5.376 1.00 41.21 H new ATOM 0 HG12 VAL A 14 7.749 3.697 4.922 1.00 41.21 H new ATOM 0 HG13 VAL A 14 6.044 3.490 4.457 1.00 41.21 H new ATOM 0 HG21 VAL A 14 6.284 0.549 3.693 1.00 72.04 H new ATOM 0 HG22 VAL A 14 5.438 1.775 2.719 1.00 72.04 H new ATOM 0 HG23 VAL A 14 6.725 0.789 1.986 1.00 72.04 H new ATOM 206 N ASN A 15 9.736 4.431 2.715 1.00 11.13 N ATOM 207 CA ASN A 15 10.673 5.462 3.128 1.00 12.02 C ATOM 208 C ASN A 15 10.456 6.754 2.351 1.00 11.40 C ATOM 209 O ASN A 15 10.545 7.862 2.914 1.00 73.41 O ATOM 210 CB ASN A 15 12.072 4.949 2.858 1.00 15.31 C ATOM 211 CG ASN A 15 13.139 5.855 3.364 1.00 13.42 C ATOM 212 OD1 ASN A 15 13.622 6.743 2.652 1.00 61.40 O ATOM 213 ND2 ASN A 15 13.521 5.643 4.579 1.00 32.53 N ATOM 0 H ASN A 15 10.194 3.565 2.432 1.00 11.13 H new ATOM 0 HA ASN A 15 10.525 5.680 4.186 1.00 12.02 H new ATOM 0 HB2 ASN A 15 12.188 3.969 3.321 1.00 15.31 H new ATOM 0 HB3 ASN A 15 12.200 4.812 1.784 1.00 15.31 H new ATOM 0 HD21 ASN A 15 14.253 6.221 4.992 1.00 32.53 H new ATOM 0 HD22 ASN A 15 13.091 4.897 5.126 1.00 32.53 H new ATOM 220 N LYS A 16 10.164 6.613 1.070 1.00 3.05 N ATOM 221 CA LYS A 16 9.871 7.764 0.232 1.00 23.44 C ATOM 222 C LYS A 16 8.596 8.432 0.708 1.00 50.12 C ATOM 223 O LYS A 16 8.528 9.647 0.804 1.00 44.21 O ATOM 224 CB LYS A 16 9.756 7.384 -1.243 1.00 1.44 C ATOM 225 CG LYS A 16 11.011 6.757 -1.800 1.00 52.10 C ATOM 226 CD LYS A 16 10.960 6.520 -3.296 1.00 2.43 C ATOM 227 CE LYS A 16 10.985 7.835 -4.056 1.00 73.41 C ATOM 228 NZ LYS A 16 11.125 7.631 -5.500 1.00 12.33 N ATOM 0 H LYS A 16 10.123 5.715 0.587 1.00 3.05 H new ATOM 0 HA LYS A 16 10.703 8.463 0.319 1.00 23.44 H new ATOM 0 HB2 LYS A 16 8.925 6.689 -1.368 1.00 1.44 H new ATOM 0 HB3 LYS A 16 9.516 8.275 -1.823 1.00 1.44 H new ATOM 0 HG2 LYS A 16 11.861 7.401 -1.572 1.00 52.10 H new ATOM 0 HG3 LYS A 16 11.187 5.807 -1.296 1.00 52.10 H new ATOM 0 HD2 LYS A 16 11.807 5.904 -3.599 1.00 2.43 H new ATOM 0 HD3 LYS A 16 10.056 5.966 -3.550 1.00 2.43 H new ATOM 0 HE2 LYS A 16 10.067 8.387 -3.855 1.00 73.41 H new ATOM 0 HE3 LYS A 16 11.811 8.447 -3.694 1.00 73.41 H new ATOM 0 HZ1 LYS A 16 11.019 8.542 -5.991 1.00 12.33 H new ATOM 0 HZ2 LYS A 16 12.064 7.234 -5.705 1.00 12.33 H new ATOM 0 HZ3 LYS A 16 10.391 6.972 -5.830 1.00 12.33 H new ATOM 242 N ILE A 17 7.611 7.620 1.058 1.00 63.31 N ATOM 243 CA ILE A 17 6.356 8.093 1.586 1.00 62.22 C ATOM 244 C ILE A 17 6.601 8.832 2.898 1.00 2.41 C ATOM 245 O ILE A 17 6.131 9.950 3.078 1.00 44.13 O ATOM 246 CB ILE A 17 5.403 6.919 1.876 1.00 31.35 C ATOM 247 CG1 ILE A 17 5.168 6.074 0.623 1.00 3.25 C ATOM 248 CG2 ILE A 17 4.100 7.447 2.431 1.00 34.51 C ATOM 249 CD1 ILE A 17 4.371 4.814 0.879 1.00 41.21 C ATOM 0 H ILE A 17 7.668 6.605 0.980 1.00 63.31 H new ATOM 0 HA ILE A 17 5.907 8.753 0.844 1.00 62.22 H new ATOM 0 HB ILE A 17 5.864 6.269 2.620 1.00 31.35 H new ATOM 0 HG12 ILE A 17 4.647 6.678 -0.119 1.00 3.25 H new ATOM 0 HG13 ILE A 17 6.132 5.802 0.193 1.00 3.25 H new ATOM 0 HG21 ILE A 17 3.427 6.614 2.635 1.00 34.51 H new ATOM 0 HG22 ILE A 17 4.293 7.993 3.355 1.00 34.51 H new ATOM 0 HG23 ILE A 17 3.639 8.115 1.704 1.00 34.51 H new ATOM 0 HD11 ILE A 17 4.245 4.267 -0.055 1.00 41.21 H new ATOM 0 HD12 ILE A 17 4.901 4.188 1.597 1.00 41.21 H new ATOM 0 HD13 ILE A 17 3.392 5.078 1.280 1.00 41.21 H new ATOM 261 N LYS A 18 7.367 8.189 3.793 1.00 61.23 N ATOM 262 CA LYS A 18 7.697 8.724 5.103 1.00 2.43 C ATOM 263 C LYS A 18 8.239 10.139 4.976 1.00 10.12 C ATOM 264 O LYS A 18 7.864 11.008 5.710 1.00 12.20 O ATOM 265 CB LYS A 18 8.774 7.857 5.790 1.00 3.32 C ATOM 266 CG LYS A 18 8.419 6.393 5.928 1.00 51.51 C ATOM 267 CD LYS A 18 9.358 5.642 6.815 1.00 2.14 C ATOM 268 CE LYS A 18 9.016 5.964 8.219 1.00 73.25 C ATOM 269 NZ LYS A 18 9.858 5.266 9.207 1.00 65.22 N ATOM 0 H LYS A 18 7.775 7.271 3.615 1.00 61.23 H new ATOM 0 HA LYS A 18 6.784 8.723 5.699 1.00 2.43 H new ATOM 0 HB2 LYS A 18 9.702 7.939 5.224 1.00 3.32 H new ATOM 0 HB3 LYS A 18 8.969 8.264 6.782 1.00 3.32 H new ATOM 0 HG2 LYS A 18 7.407 6.307 6.324 1.00 51.51 H new ATOM 0 HG3 LYS A 18 8.415 5.932 4.940 1.00 51.51 H new ATOM 0 HD2 LYS A 18 9.274 4.570 6.638 1.00 2.14 H new ATOM 0 HD3 LYS A 18 10.390 5.920 6.601 1.00 2.14 H new ATOM 0 HE2 LYS A 18 9.110 7.039 8.369 1.00 73.25 H new ATOM 0 HE3 LYS A 18 7.972 5.707 8.398 1.00 73.25 H new ATOM 0 HZ1 LYS A 18 9.564 5.537 10.167 1.00 65.22 H new ATOM 0 HZ2 LYS A 18 9.751 4.238 9.090 1.00 65.22 H new ATOM 0 HZ3 LYS A 18 10.854 5.529 9.062 1.00 65.22 H new ATOM 283 N THR A 19 9.131 10.311 4.033 1.00 13.24 N ATOM 284 CA THR A 19 9.799 11.534 3.719 1.00 2.24 C ATOM 285 C THR A 19 8.880 12.553 2.990 1.00 23.52 C ATOM 286 O THR A 19 8.881 13.740 3.296 1.00 21.42 O ATOM 287 CB THR A 19 10.971 11.133 2.821 1.00 13.14 C ATOM 288 OG1 THR A 19 11.939 10.356 3.541 1.00 0.31 O ATOM 289 CG2 THR A 19 11.587 12.286 2.098 1.00 4.45 C ATOM 0 H THR A 19 9.424 9.544 3.428 1.00 13.24 H new ATOM 0 HA THR A 19 10.119 12.038 4.631 1.00 2.24 H new ATOM 0 HB THR A 19 10.556 10.496 2.039 1.00 13.14 H new ATOM 0 HG1 THR A 19 11.707 9.406 3.480 1.00 0.31 H new ATOM 0 HG21 THR A 19 12.411 11.930 1.480 1.00 4.45 H new ATOM 0 HG22 THR A 19 10.838 12.761 1.465 1.00 4.45 H new ATOM 0 HG23 THR A 19 11.962 13.010 2.821 1.00 4.45 H new ATOM 297 N ARG A 20 8.139 12.097 2.034 1.00 24.22 N ATOM 298 CA ARG A 20 7.305 12.977 1.238 1.00 22.34 C ATOM 299 C ARG A 20 6.100 13.469 1.988 1.00 13.13 C ATOM 300 O ARG A 20 5.561 14.531 1.707 1.00 14.24 O ATOM 301 CB ARG A 20 6.941 12.298 -0.059 1.00 33.04 C ATOM 302 CG ARG A 20 8.082 12.332 -1.060 1.00 24.04 C ATOM 303 CD ARG A 20 8.304 13.744 -1.576 1.00 0.22 C ATOM 304 NE ARG A 20 9.359 13.814 -2.584 1.00 74.00 N ATOM 305 CZ ARG A 20 9.721 14.936 -3.219 1.00 14.41 C ATOM 306 NH1 ARG A 20 9.138 16.101 -2.912 1.00 4.34 N ATOM 307 NH2 ARG A 20 10.669 14.896 -4.146 1.00 61.03 N ATOM 0 H ARG A 20 8.085 11.112 1.773 1.00 24.22 H new ATOM 0 HA ARG A 20 7.881 13.873 1.007 1.00 22.34 H new ATOM 0 HB2 ARG A 20 6.664 11.263 0.139 1.00 33.04 H new ATOM 0 HB3 ARG A 20 6.066 12.785 -0.490 1.00 33.04 H new ATOM 0 HG2 ARG A 20 8.994 11.963 -0.591 1.00 24.04 H new ATOM 0 HG3 ARG A 20 7.861 11.666 -1.894 1.00 24.04 H new ATOM 0 HD2 ARG A 20 7.374 14.122 -2.002 1.00 0.22 H new ATOM 0 HD3 ARG A 20 8.560 14.396 -0.741 1.00 0.22 H new ATOM 0 HE ARG A 20 9.852 12.953 -2.819 1.00 74.00 H new ATOM 0 HH11 ARG A 20 8.416 16.136 -2.193 1.00 4.34 H new ATOM 0 HH12 ARG A 20 9.416 16.954 -3.397 1.00 4.34 H new ATOM 0 HH21 ARG A 20 11.122 14.011 -4.375 1.00 61.03 H new ATOM 0 HH22 ARG A 20 10.945 15.750 -4.630 1.00 61.03 H new ATOM 321 N PHE A 21 5.708 12.720 2.947 1.00 71.44 N ATOM 322 CA PHE A 21 4.604 13.060 3.777 1.00 34.15 C ATOM 323 C PHE A 21 5.132 13.132 5.196 1.00 50.20 C ATOM 324 O PHE A 21 4.443 12.850 6.160 1.00 12.43 O ATOM 325 CB PHE A 21 3.508 11.999 3.602 1.00 54.04 C ATOM 326 CG PHE A 21 3.046 11.870 2.156 1.00 1.33 C ATOM 327 CD1 PHE A 21 3.683 11.001 1.279 1.00 32.21 C ATOM 328 CD2 PHE A 21 1.989 12.619 1.681 1.00 22.31 C ATOM 329 CE1 PHE A 21 3.277 10.885 -0.027 1.00 74.15 C ATOM 330 CE2 PHE A 21 1.573 12.509 0.366 1.00 52.32 C ATOM 331 CZ PHE A 21 2.219 11.640 -0.488 1.00 75.24 C ATOM 0 H PHE A 21 6.151 11.833 3.187 1.00 71.44 H new ATOM 0 HA PHE A 21 4.157 14.020 3.517 1.00 34.15 H new ATOM 0 HB2 PHE A 21 3.881 11.035 3.948 1.00 54.04 H new ATOM 0 HB3 PHE A 21 2.655 12.255 4.231 1.00 54.04 H new ATOM 0 HD1 PHE A 21 4.513 10.406 1.631 1.00 32.21 H new ATOM 0 HD2 PHE A 21 1.479 13.301 2.345 1.00 22.31 H new ATOM 0 HE1 PHE A 21 3.785 10.203 -0.693 1.00 74.15 H new ATOM 0 HE2 PHE A 21 0.744 13.102 0.009 1.00 52.32 H new ATOM 0 HZ PHE A 21 1.897 11.551 -1.515 1.00 75.24 H new ATOM 341 N LEU A 22 6.370 13.602 5.288 1.00 43.44 N ATOM 342 CA LEU A 22 7.131 13.672 6.524 1.00 3.32 C ATOM 343 C LEU A 22 6.482 14.619 7.515 1.00 73.11 C ATOM 344 O LEU A 22 6.444 14.351 8.725 1.00 33.12 O ATOM 345 CB LEU A 22 8.573 14.114 6.195 1.00 62.00 C ATOM 346 CG LEU A 22 9.716 13.325 6.785 1.00 70.40 C ATOM 347 CD1 LEU A 22 11.045 13.899 6.333 1.00 24.32 C ATOM 348 CD2 LEU A 22 9.629 13.327 8.251 1.00 43.34 C ATOM 0 H LEU A 22 6.884 13.954 4.481 1.00 43.44 H new ATOM 0 HA LEU A 22 7.151 12.688 6.992 1.00 3.32 H new ATOM 0 HB2 LEU A 22 8.685 14.101 5.111 1.00 62.00 H new ATOM 0 HB3 LEU A 22 8.684 15.150 6.515 1.00 62.00 H new ATOM 0 HG LEU A 22 9.648 12.296 6.432 1.00 70.40 H new ATOM 0 HD11 LEU A 22 11.859 13.318 6.768 1.00 24.32 H new ATOM 0 HD12 LEU A 22 11.109 13.856 5.246 1.00 24.32 H new ATOM 0 HD13 LEU A 22 11.124 14.936 6.660 1.00 24.32 H new ATOM 0 HD21 LEU A 22 10.459 12.755 8.666 1.00 43.34 H new ATOM 0 HD22 LEU A 22 9.677 14.353 8.617 1.00 43.34 H new ATOM 0 HD23 LEU A 22 8.686 12.875 8.560 1.00 43.34 H new ATOM 360 N ASP A 23 5.951 15.706 7.013 1.00 1.44 N ATOM 361 CA ASP A 23 5.303 16.702 7.860 1.00 53.32 C ATOM 362 C ASP A 23 3.811 16.419 7.934 1.00 33.32 C ATOM 363 O ASP A 23 3.058 17.089 8.648 1.00 51.22 O ATOM 364 CB ASP A 23 5.573 18.108 7.312 1.00 11.03 C ATOM 365 CG ASP A 23 5.065 19.235 8.190 1.00 2.43 C ATOM 366 OD1 ASP A 23 5.716 19.556 9.202 1.00 11.21 O ATOM 367 OD2 ASP A 23 4.057 19.887 7.830 1.00 52.14 O ATOM 0 H ASP A 23 5.950 15.933 6.019 1.00 1.44 H new ATOM 0 HA ASP A 23 5.713 16.647 8.869 1.00 53.32 H new ATOM 0 HB2 ASP A 23 6.647 18.229 7.173 1.00 11.03 H new ATOM 0 HB3 ASP A 23 5.112 18.195 6.328 1.00 11.03 H new ATOM 372 N HIS A 24 3.394 15.383 7.234 1.00 51.34 N ATOM 373 CA HIS A 24 1.999 15.001 7.170 1.00 52.44 C ATOM 374 C HIS A 24 1.823 13.531 7.594 1.00 22.11 C ATOM 375 O HIS A 24 1.497 12.672 6.756 1.00 32.14 O ATOM 376 CB HIS A 24 1.464 15.177 5.745 1.00 34.11 C ATOM 377 CG HIS A 24 1.495 16.575 5.200 1.00 41.45 C ATOM 378 ND1 HIS A 24 2.509 17.075 4.404 1.00 21.12 N ATOM 379 CD2 HIS A 24 0.587 17.566 5.313 1.00 52.21 C ATOM 380 CE1 HIS A 24 2.193 18.322 4.064 1.00 12.21 C ATOM 381 NE2 HIS A 24 1.027 18.676 4.592 1.00 31.13 N ATOM 0 H HIS A 24 4.015 14.782 6.693 1.00 51.34 H new ATOM 0 HA HIS A 24 1.441 15.643 7.851 1.00 52.44 H new ATOM 0 HB2 HIS A 24 2.041 14.536 5.079 1.00 34.11 H new ATOM 0 HB3 HIS A 24 0.434 14.820 5.718 1.00 34.11 H new ATOM 0 HD2 HIS A 24 -0.335 17.509 5.873 1.00 52.21 H new ATOM 0 HE1 HIS A 24 2.803 18.961 3.442 1.00 12.21 H new ATOM 0 HE2 HIS A 24 0.552 19.573 4.491 1.00 31.13 H new ATOM 389 N PRO A 25 2.008 13.205 8.897 1.00 53.44 N ATOM 390 CA PRO A 25 1.953 11.820 9.380 1.00 73.51 C ATOM 391 C PRO A 25 0.570 11.212 9.208 1.00 41.52 C ATOM 392 O PRO A 25 0.425 9.999 9.103 1.00 3.50 O ATOM 393 CB PRO A 25 2.309 11.930 10.871 1.00 4.15 C ATOM 394 CG PRO A 25 2.944 13.266 11.011 1.00 12.11 C ATOM 395 CD PRO A 25 2.273 14.139 10.000 1.00 33.24 C ATOM 0 HA PRO A 25 2.629 11.171 8.823 1.00 73.51 H new ATOM 0 HB2 PRO A 25 1.421 11.846 11.497 1.00 4.15 H new ATOM 0 HB3 PRO A 25 2.989 11.135 11.175 1.00 4.15 H new ATOM 0 HG2 PRO A 25 2.811 13.660 12.019 1.00 12.11 H new ATOM 0 HG3 PRO A 25 4.017 13.211 10.830 1.00 12.11 H new ATOM 0 HD2 PRO A 25 1.354 14.578 10.389 1.00 33.24 H new ATOM 0 HD3 PRO A 25 2.913 14.964 9.688 1.00 33.24 H new ATOM 403 N GLU A 26 -0.433 12.068 9.140 1.00 42.11 N ATOM 404 CA GLU A 26 -1.801 11.652 8.974 1.00 22.12 C ATOM 405 C GLU A 26 -1.998 10.909 7.645 1.00 65.52 C ATOM 406 O GLU A 26 -2.749 9.950 7.571 1.00 4.21 O ATOM 407 CB GLU A 26 -2.718 12.864 9.058 1.00 45.33 C ATOM 408 CG GLU A 26 -2.469 13.895 7.988 1.00 71.41 C ATOM 409 CD GLU A 26 -3.355 15.097 8.122 1.00 73.32 C ATOM 410 OE1 GLU A 26 -3.016 16.018 8.871 1.00 5.11 O ATOM 411 OE2 GLU A 26 -4.415 15.137 7.481 1.00 42.12 O ATOM 0 H GLU A 26 -0.313 13.079 9.200 1.00 42.11 H new ATOM 0 HA GLU A 26 -2.054 10.958 9.776 1.00 22.12 H new ATOM 0 HB2 GLU A 26 -3.753 12.529 8.992 1.00 45.33 H new ATOM 0 HB3 GLU A 26 -2.596 13.332 10.035 1.00 45.33 H new ATOM 0 HG2 GLU A 26 -1.427 14.211 8.030 1.00 71.41 H new ATOM 0 HG3 GLU A 26 -2.625 13.441 7.009 1.00 71.41 H new ATOM 418 N ILE A 27 -1.271 11.326 6.619 1.00 65.31 N ATOM 419 CA ILE A 27 -1.388 10.726 5.308 1.00 51.11 C ATOM 420 C ILE A 27 -0.722 9.365 5.329 1.00 2.35 C ATOM 421 O ILE A 27 -1.240 8.390 4.791 1.00 52.50 O ATOM 422 CB ILE A 27 -0.747 11.634 4.245 1.00 40.24 C ATOM 423 CG1 ILE A 27 -1.387 13.022 4.363 1.00 11.03 C ATOM 424 CG2 ILE A 27 -0.955 11.052 2.830 1.00 63.35 C ATOM 425 CD1 ILE A 27 -0.841 14.031 3.411 1.00 22.42 C ATOM 0 H ILE A 27 -0.590 12.084 6.675 1.00 65.31 H new ATOM 0 HA ILE A 27 -2.440 10.606 5.051 1.00 51.11 H new ATOM 0 HB ILE A 27 0.328 11.703 4.410 1.00 40.24 H new ATOM 0 HG12 ILE A 27 -2.461 12.929 4.200 1.00 11.03 H new ATOM 0 HG13 ILE A 27 -1.249 13.388 5.381 1.00 11.03 H new ATOM 0 HG21 ILE A 27 -0.494 11.711 2.094 1.00 63.35 H new ATOM 0 HG22 ILE A 27 -0.496 10.065 2.772 1.00 63.35 H new ATOM 0 HG23 ILE A 27 -2.022 10.969 2.624 1.00 63.35 H new ATOM 0 HD11 ILE A 27 -1.348 14.984 3.561 1.00 22.42 H new ATOM 0 HD12 ILE A 27 0.227 14.156 3.587 1.00 22.42 H new ATOM 0 HD13 ILE A 27 -1.003 13.691 2.388 1.00 22.42 H new ATOM 437 N TYR A 28 0.397 9.307 6.035 1.00 44.11 N ATOM 438 CA TYR A 28 1.166 8.085 6.223 1.00 41.31 C ATOM 439 C TYR A 28 0.282 7.041 6.905 1.00 53.43 C ATOM 440 O TYR A 28 0.166 5.900 6.454 1.00 31.40 O ATOM 441 CB TYR A 28 2.360 8.392 7.132 1.00 1.05 C ATOM 442 CG TYR A 28 3.381 7.285 7.242 1.00 43.40 C ATOM 443 CD1 TYR A 28 4.257 7.024 6.205 1.00 22.41 C ATOM 444 CD2 TYR A 28 3.464 6.503 8.383 1.00 54.23 C ATOM 445 CE1 TYR A 28 5.176 6.017 6.292 1.00 41.43 C ATOM 446 CE2 TYR A 28 4.395 5.488 8.482 1.00 41.20 C ATOM 447 CZ TYR A 28 5.243 5.245 7.434 1.00 71.21 C ATOM 448 OH TYR A 28 6.185 4.245 7.533 1.00 53.41 O ATOM 0 H TYR A 28 0.803 10.119 6.500 1.00 44.11 H new ATOM 0 HA TYR A 28 1.512 7.708 5.260 1.00 41.31 H new ATOM 0 HB2 TYR A 28 2.857 9.289 6.762 1.00 1.05 H new ATOM 0 HB3 TYR A 28 1.987 8.622 8.130 1.00 1.05 H new ATOM 0 HD1 TYR A 28 4.214 7.627 5.310 1.00 22.41 H new ATOM 0 HD2 TYR A 28 2.791 6.690 9.207 1.00 54.23 H new ATOM 0 HE1 TYR A 28 5.849 5.825 5.469 1.00 41.43 H new ATOM 0 HE2 TYR A 28 4.454 4.890 9.379 1.00 41.20 H new ATOM 0 HH TYR A 28 6.098 3.798 8.401 1.00 53.41 H new ATOM 458 N ARG A 29 -0.372 7.473 7.968 1.00 20.32 N ATOM 459 CA ARG A 29 -1.232 6.621 8.766 1.00 35.01 C ATOM 460 C ARG A 29 -2.455 6.168 7.985 1.00 55.32 C ATOM 461 O ARG A 29 -2.855 5.001 8.061 1.00 12.32 O ATOM 462 CB ARG A 29 -1.643 7.345 10.021 1.00 22.01 C ATOM 463 CG ARG A 29 -0.473 7.630 10.917 1.00 40.43 C ATOM 464 CD ARG A 29 -0.813 8.682 11.916 1.00 20.13 C ATOM 465 NE ARG A 29 0.359 9.048 12.722 1.00 24.10 N ATOM 466 CZ ARG A 29 0.439 10.084 13.555 1.00 11.44 C ATOM 467 NH1 ARG A 29 -0.656 10.760 13.890 1.00 12.14 N ATOM 468 NH2 ARG A 29 1.620 10.407 14.092 1.00 61.03 N ATOM 0 H ARG A 29 -0.320 8.435 8.304 1.00 20.32 H new ATOM 0 HA ARG A 29 -0.670 5.727 9.034 1.00 35.01 H new ATOM 0 HB2 ARG A 29 -2.132 8.282 9.755 1.00 22.01 H new ATOM 0 HB3 ARG A 29 -2.376 6.746 10.562 1.00 22.01 H new ATOM 0 HG2 ARG A 29 -0.173 6.717 11.432 1.00 40.43 H new ATOM 0 HG3 ARG A 29 0.379 7.953 10.318 1.00 40.43 H new ATOM 0 HD2 ARG A 29 -1.195 9.565 11.403 1.00 20.13 H new ATOM 0 HD3 ARG A 29 -1.609 8.324 12.569 1.00 20.13 H new ATOM 0 HE ARG A 29 1.185 8.456 12.636 1.00 24.10 H new ATOM 0 HH11 ARG A 29 -1.561 10.486 13.509 1.00 12.14 H new ATOM 0 HH12 ARG A 29 -0.591 11.553 14.528 1.00 12.14 H new ATOM 0 HH21 ARG A 29 2.451 9.861 13.863 1.00 61.03 H new ATOM 0 HH22 ARG A 29 1.690 11.199 14.731 1.00 61.03 H new ATOM 482 N SER A 30 -3.022 7.081 7.203 1.00 44.14 N ATOM 483 CA SER A 30 -4.173 6.775 6.374 1.00 5.00 C ATOM 484 C SER A 30 -3.813 5.742 5.315 1.00 70.43 C ATOM 485 O SER A 30 -4.651 4.987 4.854 1.00 50.31 O ATOM 486 CB SER A 30 -4.735 8.039 5.738 1.00 5.50 C ATOM 487 OG SER A 30 -5.114 8.974 6.739 1.00 3.11 O ATOM 0 H SER A 30 -2.697 8.045 7.129 1.00 44.14 H new ATOM 0 HA SER A 30 -4.949 6.349 7.010 1.00 5.00 H new ATOM 0 HB2 SER A 30 -3.989 8.484 5.080 1.00 5.50 H new ATOM 0 HB3 SER A 30 -5.597 7.790 5.120 1.00 5.50 H new ATOM 0 HG SER A 30 -4.312 9.393 7.115 1.00 3.11 H new ATOM 493 N PHE A 31 -2.580 5.735 4.908 1.00 53.44 N ATOM 494 CA PHE A 31 -2.118 4.732 3.998 1.00 75.41 C ATOM 495 C PHE A 31 -1.941 3.392 4.701 1.00 42.15 C ATOM 496 O PHE A 31 -2.368 2.348 4.196 1.00 1.45 O ATOM 497 CB PHE A 31 -0.839 5.163 3.335 1.00 12.21 C ATOM 498 CG PHE A 31 -0.161 4.044 2.631 1.00 61.52 C ATOM 499 CD1 PHE A 31 -0.712 3.511 1.478 1.00 5.43 C ATOM 500 CD2 PHE A 31 0.993 3.492 3.144 1.00 2.15 C ATOM 501 CE1 PHE A 31 -0.126 2.453 0.842 1.00 63.33 C ATOM 502 CE2 PHE A 31 1.598 2.424 2.517 1.00 31.12 C ATOM 503 CZ PHE A 31 1.038 1.899 1.359 1.00 62.24 C ATOM 0 H PHE A 31 -1.874 6.414 5.193 1.00 53.44 H new ATOM 0 HA PHE A 31 -2.876 4.605 3.225 1.00 75.41 H new ATOM 0 HB2 PHE A 31 -1.053 5.960 2.623 1.00 12.21 H new ATOM 0 HB3 PHE A 31 -0.166 5.578 4.085 1.00 12.21 H new ATOM 0 HD1 PHE A 31 -1.619 3.938 1.075 1.00 5.43 H new ATOM 0 HD2 PHE A 31 1.427 3.900 4.045 1.00 2.15 H new ATOM 0 HE1 PHE A 31 -0.566 2.050 -0.058 1.00 63.33 H new ATOM 0 HE2 PHE A 31 2.503 1.997 2.924 1.00 31.12 H new ATOM 0 HZ PHE A 31 1.507 1.062 0.862 1.00 62.24 H new ATOM 513 N LEU A 32 -1.305 3.426 5.851 1.00 33.40 N ATOM 514 CA LEU A 32 -1.068 2.242 6.656 1.00 30.32 C ATOM 515 C LEU A 32 -2.363 1.514 6.971 1.00 61.03 C ATOM 516 O LEU A 32 -2.399 0.273 7.016 1.00 22.35 O ATOM 517 CB LEU A 32 -0.355 2.629 7.936 1.00 61.22 C ATOM 518 CG LEU A 32 1.057 3.167 7.780 1.00 4.53 C ATOM 519 CD1 LEU A 32 1.614 3.487 9.133 1.00 54.05 C ATOM 520 CD2 LEU A 32 1.958 2.174 7.040 1.00 22.44 C ATOM 0 H LEU A 32 -0.933 4.283 6.260 1.00 33.40 H new ATOM 0 HA LEU A 32 -0.440 1.560 6.083 1.00 30.32 H new ATOM 0 HB2 LEU A 32 -0.954 3.382 8.448 1.00 61.22 H new ATOM 0 HB3 LEU A 32 -0.319 1.755 8.586 1.00 61.22 H new ATOM 0 HG LEU A 32 1.022 4.075 7.178 1.00 4.53 H new ATOM 0 HD11 LEU A 32 2.628 3.874 9.027 1.00 54.05 H new ATOM 0 HD12 LEU A 32 0.988 4.237 9.616 1.00 54.05 H new ATOM 0 HD13 LEU A 32 1.632 2.583 9.742 1.00 54.05 H new ATOM 0 HD21 LEU A 32 2.960 2.592 6.947 1.00 22.44 H new ATOM 0 HD22 LEU A 32 2.005 1.239 7.599 1.00 22.44 H new ATOM 0 HD23 LEU A 32 1.551 1.983 6.047 1.00 22.44 H new ATOM 532 N GLU A 33 -3.423 2.274 7.140 1.00 71.14 N ATOM 533 CA GLU A 33 -4.716 1.719 7.431 1.00 5.44 C ATOM 534 C GLU A 33 -5.262 0.963 6.205 1.00 55.52 C ATOM 535 O GLU A 33 -5.988 -0.006 6.349 1.00 70.12 O ATOM 536 CB GLU A 33 -5.681 2.815 7.875 1.00 20.24 C ATOM 537 CG GLU A 33 -6.419 3.535 6.755 1.00 64.24 C ATOM 538 CD GLU A 33 -7.322 4.607 7.273 1.00 0.44 C ATOM 539 OE1 GLU A 33 -8.341 4.281 7.891 1.00 23.53 O ATOM 540 OE2 GLU A 33 -7.040 5.790 7.072 1.00 62.23 O ATOM 0 H GLU A 33 -3.407 3.292 7.079 1.00 71.14 H new ATOM 0 HA GLU A 33 -4.615 1.008 8.251 1.00 5.44 H new ATOM 0 HB2 GLU A 33 -6.418 2.375 8.547 1.00 20.24 H new ATOM 0 HB3 GLU A 33 -5.124 3.553 8.452 1.00 20.24 H new ATOM 0 HG2 GLU A 33 -5.695 3.973 6.068 1.00 64.24 H new ATOM 0 HG3 GLU A 33 -7.004 2.813 6.185 1.00 64.24 H new ATOM 547 N ILE A 34 -4.863 1.394 5.006 1.00 60.22 N ATOM 548 CA ILE A 34 -5.266 0.775 3.774 1.00 43.33 C ATOM 549 C ILE A 34 -4.598 -0.562 3.657 1.00 50.11 C ATOM 550 O ILE A 34 -5.215 -1.523 3.283 1.00 32.31 O ATOM 551 CB ILE A 34 -4.899 1.670 2.568 1.00 74.10 C ATOM 552 CG1 ILE A 34 -5.689 2.972 2.662 1.00 34.21 C ATOM 553 CG2 ILE A 34 -5.157 0.951 1.239 1.00 35.24 C ATOM 554 CD1 ILE A 34 -5.255 4.035 1.700 1.00 1.23 C ATOM 0 H ILE A 34 -4.243 2.194 4.879 1.00 60.22 H new ATOM 0 HA ILE A 34 -6.348 0.643 3.775 1.00 43.33 H new ATOM 0 HB ILE A 34 -3.833 1.895 2.597 1.00 74.10 H new ATOM 0 HG12 ILE A 34 -6.744 2.755 2.492 1.00 34.21 H new ATOM 0 HG13 ILE A 34 -5.603 3.361 3.676 1.00 34.21 H new ATOM 0 HG21 ILE A 34 -4.889 1.608 0.412 1.00 35.24 H new ATOM 0 HG22 ILE A 34 -4.554 0.044 1.193 1.00 35.24 H new ATOM 0 HG23 ILE A 34 -6.212 0.689 1.166 1.00 35.24 H new ATOM 0 HD11 ILE A 34 -5.871 4.924 1.838 1.00 1.23 H new ATOM 0 HD12 ILE A 34 -4.210 4.286 1.882 1.00 1.23 H new ATOM 0 HD13 ILE A 34 -5.368 3.670 0.679 1.00 1.23 H new ATOM 566 N LEU A 35 -3.341 -0.625 4.021 1.00 1.34 N ATOM 567 CA LEU A 35 -2.636 -1.889 4.006 1.00 23.23 C ATOM 568 C LEU A 35 -3.110 -2.813 5.114 1.00 55.41 C ATOM 569 O LEU A 35 -3.037 -4.022 4.989 1.00 20.42 O ATOM 570 CB LEU A 35 -1.119 -1.714 3.967 1.00 35.13 C ATOM 571 CG LEU A 35 -0.480 -1.742 2.561 1.00 74.32 C ATOM 572 CD1 LEU A 35 -0.500 -3.157 1.999 1.00 2.23 C ATOM 573 CD2 LEU A 35 -1.221 -0.815 1.606 1.00 23.35 C ATOM 0 H LEU A 35 -2.787 0.174 4.329 1.00 1.34 H new ATOM 0 HA LEU A 35 -2.890 -2.386 3.070 1.00 23.23 H new ATOM 0 HB2 LEU A 35 -0.868 -0.765 4.442 1.00 35.13 H new ATOM 0 HB3 LEU A 35 -0.665 -2.501 4.569 1.00 35.13 H new ATOM 0 HG LEU A 35 0.551 -1.400 2.658 1.00 74.32 H new ATOM 0 HD11 LEU A 35 -0.047 -3.161 1.008 1.00 2.23 H new ATOM 0 HD12 LEU A 35 0.062 -3.818 2.658 1.00 2.23 H new ATOM 0 HD13 LEU A 35 -1.530 -3.506 1.928 1.00 2.23 H new ATOM 0 HD21 LEU A 35 -0.751 -0.854 0.623 1.00 23.35 H new ATOM 0 HD22 LEU A 35 -2.260 -1.133 1.524 1.00 23.35 H new ATOM 0 HD23 LEU A 35 -1.183 0.206 1.987 1.00 23.35 H new ATOM 585 N HIS A 36 -3.604 -2.235 6.192 1.00 0.12 N ATOM 586 CA HIS A 36 -4.251 -3.006 7.249 1.00 70.00 C ATOM 587 C HIS A 36 -5.552 -3.593 6.679 1.00 43.03 C ATOM 588 O HIS A 36 -5.814 -4.782 6.788 1.00 24.21 O ATOM 589 CB HIS A 36 -4.528 -2.095 8.467 1.00 43.25 C ATOM 590 CG HIS A 36 -5.304 -2.742 9.579 1.00 13.20 C ATOM 591 ND1 HIS A 36 -6.489 -2.243 10.078 1.00 15.22 N ATOM 592 CD2 HIS A 36 -5.042 -3.865 10.290 1.00 2.42 C ATOM 593 CE1 HIS A 36 -6.901 -3.059 11.050 1.00 1.32 C ATOM 594 NE2 HIS A 36 -6.058 -4.064 11.218 1.00 51.22 N ATOM 0 H HIS A 36 -3.572 -1.230 6.364 1.00 0.12 H new ATOM 0 HA HIS A 36 -3.608 -3.818 7.588 1.00 70.00 H new ATOM 0 HB2 HIS A 36 -3.575 -1.745 8.864 1.00 43.25 H new ATOM 0 HB3 HIS A 36 -5.074 -1.215 8.127 1.00 43.25 H new ATOM 0 HD2 HIS A 36 -4.181 -4.504 10.157 1.00 2.42 H new ATOM 0 HE1 HIS A 36 -7.805 -2.917 11.624 1.00 1.32 H new ATOM 0 HE2 HIS A 36 -6.137 -4.828 11.890 1.00 51.22 H new ATOM 602 N THR A 37 -6.299 -2.730 6.031 1.00 62.34 N ATOM 603 CA THR A 37 -7.529 -3.042 5.331 1.00 1.32 C ATOM 604 C THR A 37 -7.295 -4.112 4.232 1.00 61.14 C ATOM 605 O THR A 37 -8.087 -5.035 4.055 1.00 31.12 O ATOM 606 CB THR A 37 -8.035 -1.707 4.724 1.00 33.24 C ATOM 607 OG1 THR A 37 -8.500 -0.830 5.756 1.00 14.51 O ATOM 608 CG2 THR A 37 -9.068 -1.862 3.635 1.00 4.14 C ATOM 0 H THR A 37 -6.055 -1.741 5.973 1.00 62.34 H new ATOM 0 HA THR A 37 -8.269 -3.467 6.009 1.00 1.32 H new ATOM 0 HB THR A 37 -7.171 -1.263 4.230 1.00 33.24 H new ATOM 0 HG1 THR A 37 -7.737 -0.362 6.156 1.00 14.51 H new ATOM 0 HG21 THR A 37 -9.363 -0.878 3.271 1.00 4.14 H new ATOM 0 HG22 THR A 37 -8.647 -2.442 2.814 1.00 4.14 H new ATOM 0 HG23 THR A 37 -9.942 -2.378 4.033 1.00 4.14 H new ATOM 616 N TYR A 38 -6.182 -3.993 3.551 1.00 4.41 N ATOM 617 CA TYR A 38 -5.818 -4.875 2.472 1.00 32.12 C ATOM 618 C TYR A 38 -5.491 -6.271 3.007 1.00 24.21 C ATOM 619 O TYR A 38 -5.727 -7.297 2.352 1.00 33.32 O ATOM 620 CB TYR A 38 -4.637 -4.270 1.714 1.00 4.33 C ATOM 621 CG TYR A 38 -4.328 -4.949 0.438 1.00 70.31 C ATOM 622 CD1 TYR A 38 -5.115 -4.698 -0.637 1.00 31.34 C ATOM 623 CD2 TYR A 38 -3.256 -5.816 0.298 1.00 50.01 C ATOM 624 CE1 TYR A 38 -4.869 -5.295 -1.870 1.00 15.25 C ATOM 625 CE2 TYR A 38 -2.990 -6.422 -0.915 1.00 11.54 C ATOM 626 CZ TYR A 38 -3.805 -6.157 -1.998 1.00 11.42 C ATOM 627 OH TYR A 38 -3.546 -6.755 -3.211 1.00 22.32 O ATOM 0 H TYR A 38 -5.491 -3.266 3.736 1.00 4.41 H new ATOM 0 HA TYR A 38 -6.656 -4.985 1.784 1.00 32.12 H new ATOM 0 HB2 TYR A 38 -4.848 -3.220 1.513 1.00 4.33 H new ATOM 0 HB3 TYR A 38 -3.754 -4.301 2.353 1.00 4.33 H new ATOM 0 HD1 TYR A 38 -5.950 -4.021 -0.535 1.00 31.34 H new ATOM 0 HD2 TYR A 38 -2.621 -6.020 1.147 1.00 50.01 H new ATOM 0 HE1 TYR A 38 -5.506 -5.084 -2.716 1.00 15.25 H new ATOM 0 HE2 TYR A 38 -2.153 -7.097 -1.015 1.00 11.54 H new ATOM 0 HH TYR A 38 -4.348 -6.715 -3.773 1.00 22.32 H new ATOM 637 N GLN A 39 -4.966 -6.299 4.210 1.00 71.12 N ATOM 638 CA GLN A 39 -4.635 -7.528 4.895 1.00 13.44 C ATOM 639 C GLN A 39 -5.869 -8.297 5.310 1.00 2.31 C ATOM 640 O GLN A 39 -5.802 -9.499 5.498 1.00 62.22 O ATOM 641 CB GLN A 39 -3.707 -7.281 6.064 1.00 52.31 C ATOM 642 CG GLN A 39 -2.291 -6.982 5.632 1.00 55.41 C ATOM 643 CD GLN A 39 -1.414 -6.543 6.767 1.00 41.15 C ATOM 644 OE1 GLN A 39 -0.783 -7.359 7.446 1.00 31.13 O ATOM 645 NE2 GLN A 39 -1.342 -5.260 6.970 1.00 21.33 N ATOM 0 H GLN A 39 -4.754 -5.459 4.748 1.00 71.12 H new ATOM 0 HA GLN A 39 -4.099 -8.155 4.183 1.00 13.44 H new ATOM 0 HB2 GLN A 39 -4.086 -6.446 6.654 1.00 52.31 H new ATOM 0 HB3 GLN A 39 -3.707 -8.156 6.714 1.00 52.31 H new ATOM 0 HG2 GLN A 39 -1.862 -7.872 5.171 1.00 55.41 H new ATOM 0 HG3 GLN A 39 -2.306 -6.204 4.869 1.00 55.41 H new ATOM 0 HE21 GLN A 39 -1.880 -4.620 6.386 1.00 21.33 H new ATOM 0 HE22 GLN A 39 -0.747 -4.894 7.713 1.00 21.33 H new ATOM 654 N LYS A 40 -6.998 -7.608 5.430 1.00 23.43 N ATOM 655 CA LYS A 40 -8.266 -8.251 5.795 1.00 10.22 C ATOM 656 C LYS A 40 -8.719 -9.203 4.675 1.00 11.51 C ATOM 657 O LYS A 40 -9.580 -10.058 4.865 1.00 13.25 O ATOM 658 CB LYS A 40 -9.355 -7.215 6.039 1.00 23.25 C ATOM 659 CG LYS A 40 -8.968 -6.100 7.003 1.00 34.23 C ATOM 660 CD LYS A 40 -8.509 -6.582 8.378 1.00 53.50 C ATOM 661 CE LYS A 40 -9.606 -7.295 9.146 1.00 1.03 C ATOM 662 NZ LYS A 40 -9.191 -7.556 10.540 1.00 22.20 N ATOM 0 H LYS A 40 -7.067 -6.601 5.281 1.00 23.43 H new ATOM 0 HA LYS A 40 -8.102 -8.813 6.714 1.00 10.22 H new ATOM 0 HB2 LYS A 40 -9.635 -6.770 5.084 1.00 23.25 H new ATOM 0 HB3 LYS A 40 -10.239 -7.721 6.426 1.00 23.25 H new ATOM 0 HG2 LYS A 40 -8.169 -5.510 6.554 1.00 34.23 H new ATOM 0 HG3 LYS A 40 -9.822 -5.435 7.132 1.00 34.23 H new ATOM 0 HD2 LYS A 40 -7.660 -7.255 8.258 1.00 53.50 H new ATOM 0 HD3 LYS A 40 -8.160 -5.729 8.960 1.00 53.50 H new ATOM 0 HE2 LYS A 40 -10.512 -6.689 9.140 1.00 1.03 H new ATOM 0 HE3 LYS A 40 -9.848 -8.236 8.652 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 -9.958 -8.044 11.045 1.00 22.20 H new ATOM 0 HZ2 LYS A 40 -8.339 -8.153 10.543 1.00 22.20 H new ATOM 0 HZ3 LYS A 40 -8.983 -6.654 11.015 1.00 22.20 H new ATOM 676 N GLU A 41 -8.149 -9.012 3.495 1.00 50.13 N ATOM 677 CA GLU A 41 -8.402 -9.878 2.363 1.00 20.14 C ATOM 678 C GLU A 41 -7.476 -11.073 2.395 1.00 64.44 C ATOM 679 O GLU A 41 -7.875 -12.200 2.070 1.00 3.01 O ATOM 680 CB GLU A 41 -8.201 -9.122 1.055 1.00 42.11 C ATOM 681 CG GLU A 41 -9.234 -8.060 0.808 1.00 12.33 C ATOM 682 CD GLU A 41 -10.611 -8.649 0.770 1.00 0.01 C ATOM 683 OE1 GLU A 41 -10.937 -9.361 -0.207 1.00 44.42 O ATOM 684 OE2 GLU A 41 -11.385 -8.446 1.720 1.00 1.34 O ATOM 0 H GLU A 41 -7.499 -8.251 3.299 1.00 50.13 H new ATOM 0 HA GLU A 41 -9.435 -10.220 2.425 1.00 20.14 H new ATOM 0 HB2 GLU A 41 -7.213 -8.662 1.060 1.00 42.11 H new ATOM 0 HB3 GLU A 41 -8.218 -9.832 0.228 1.00 42.11 H new ATOM 0 HG2 GLU A 41 -9.179 -7.305 1.592 1.00 12.33 H new ATOM 0 HG3 GLU A 41 -9.024 -7.556 -0.135 1.00 12.33 H new ATOM 691 N GLN A 42 -6.245 -10.823 2.801 1.00 5.30 N ATOM 692 CA GLN A 42 -5.216 -11.843 2.839 1.00 61.10 C ATOM 693 C GLN A 42 -5.448 -12.791 3.997 1.00 42.41 C ATOM 694 O GLN A 42 -5.346 -14.010 3.852 1.00 12.52 O ATOM 695 CB GLN A 42 -3.841 -11.208 2.951 1.00 61.43 C ATOM 696 CG GLN A 42 -3.506 -10.243 1.821 1.00 44.13 C ATOM 697 CD GLN A 42 -3.542 -10.890 0.444 1.00 31.12 C ATOM 698 OE1 GLN A 42 -3.282 -12.087 0.282 1.00 42.42 O ATOM 699 NE2 GLN A 42 -3.858 -10.109 -0.548 1.00 22.43 N ATOM 0 H GLN A 42 -5.931 -9.905 3.114 1.00 5.30 H new ATOM 0 HA GLN A 42 -5.264 -12.410 1.910 1.00 61.10 H new ATOM 0 HB2 GLN A 42 -3.775 -10.676 3.900 1.00 61.43 H new ATOM 0 HB3 GLN A 42 -3.089 -11.997 2.975 1.00 61.43 H new ATOM 0 HG2 GLN A 42 -4.210 -9.412 1.842 1.00 44.13 H new ATOM 0 HG3 GLN A 42 -2.514 -9.825 1.992 1.00 44.13 H new ATOM 0 HE21 GLN A 42 -4.067 -9.125 -0.376 1.00 22.43 H new ATOM 0 HE22 GLN A 42 -3.897 -10.481 -1.497 1.00 22.43 H new ATOM 708 N LEU A 43 -5.748 -12.233 5.137 1.00 64.42 N ATOM 709 CA LEU A 43 -6.060 -13.012 6.302 1.00 62.52 C ATOM 710 C LEU A 43 -7.516 -13.394 6.216 1.00 22.13 C ATOM 711 O LEU A 43 -8.330 -12.622 5.697 1.00 73.02 O ATOM 712 CB LEU A 43 -5.780 -12.227 7.619 1.00 32.42 C ATOM 713 CG LEU A 43 -4.320 -12.049 8.077 1.00 21.51 C ATOM 714 CD1 LEU A 43 -3.743 -13.374 8.421 1.00 60.11 C ATOM 715 CD2 LEU A 43 -3.462 -11.356 7.029 1.00 22.41 C ATOM 0 H LEU A 43 -5.783 -11.224 5.284 1.00 64.42 H new ATOM 0 HA LEU A 43 -5.425 -13.897 6.328 1.00 62.52 H new ATOM 0 HB2 LEU A 43 -6.216 -11.234 7.511 1.00 32.42 H new ATOM 0 HB3 LEU A 43 -6.320 -12.727 8.423 1.00 32.42 H new ATOM 0 HG LEU A 43 -4.325 -11.405 8.957 1.00 21.51 H new ATOM 0 HD11 LEU A 43 -2.710 -13.248 8.745 1.00 60.11 H new ATOM 0 HD12 LEU A 43 -4.323 -13.826 9.226 1.00 60.11 H new ATOM 0 HD13 LEU A 43 -3.772 -14.022 7.545 1.00 60.11 H new ATOM 0 HD21 LEU A 43 -2.443 -11.255 7.402 1.00 22.41 H new ATOM 0 HD22 LEU A 43 -3.457 -11.948 6.114 1.00 22.41 H new ATOM 0 HD23 LEU A 43 -3.871 -10.368 6.820 1.00 22.41 H new ATOM 727 N HIS A 44 -7.864 -14.563 6.684 1.00 64.53 N ATOM 728 CA HIS A 44 -9.239 -14.991 6.611 1.00 74.53 C ATOM 729 C HIS A 44 -10.031 -14.399 7.774 1.00 41.34 C ATOM 730 O HIS A 44 -10.297 -15.060 8.778 1.00 23.52 O ATOM 731 CB HIS A 44 -9.363 -16.527 6.538 1.00 1.02 C ATOM 732 CG HIS A 44 -10.760 -17.019 6.258 1.00 63.21 C ATOM 733 ND1 HIS A 44 -11.469 -17.857 7.092 1.00 10.42 N ATOM 734 CD2 HIS A 44 -11.560 -16.798 5.185 1.00 1.04 C ATOM 735 CE1 HIS A 44 -12.645 -18.115 6.520 1.00 15.22 C ATOM 736 NE2 HIS A 44 -12.753 -17.496 5.354 1.00 53.31 N ATOM 0 H HIS A 44 -7.225 -15.230 7.115 1.00 64.53 H new ATOM 0 HA HIS A 44 -9.669 -14.614 5.683 1.00 74.53 H new ATOM 0 HB2 HIS A 44 -8.696 -16.898 5.760 1.00 1.02 H new ATOM 0 HB3 HIS A 44 -9.021 -16.954 7.481 1.00 1.02 H new ATOM 0 HD2 HIS A 44 -11.311 -16.179 4.335 1.00 1.04 H new ATOM 0 HE1 HIS A 44 -13.409 -18.746 6.950 1.00 15.22 H new ATOM 0 HE2 HIS A 44 -13.546 -17.525 4.713 1.00 53.31 H new ATOM 744 N THR A 45 -10.276 -13.125 7.666 1.00 13.13 N ATOM 745 CA THR A 45 -11.030 -12.346 8.604 1.00 2.25 C ATOM 746 C THR A 45 -11.486 -11.083 7.895 1.00 42.12 C ATOM 747 O THR A 45 -10.700 -10.165 7.684 1.00 35.21 O ATOM 748 CB THR A 45 -10.199 -11.959 9.862 1.00 41.31 C ATOM 749 OG1 THR A 45 -9.777 -13.146 10.569 1.00 22.22 O ATOM 750 CG2 THR A 45 -11.019 -11.087 10.801 1.00 61.31 C ATOM 0 H THR A 45 -9.937 -12.573 6.879 1.00 13.13 H new ATOM 0 HA THR A 45 -11.874 -12.942 8.952 1.00 2.25 H new ATOM 0 HB THR A 45 -9.324 -11.402 9.528 1.00 41.31 H new ATOM 0 HG1 THR A 45 -10.186 -13.935 10.157 1.00 22.22 H new ATOM 0 HG21 THR A 45 -10.419 -10.828 11.674 1.00 61.31 H new ATOM 0 HG22 THR A 45 -11.318 -10.176 10.283 1.00 61.31 H new ATOM 0 HG23 THR A 45 -11.908 -11.632 11.120 1.00 61.31 H new ATOM 758 N LYS A 46 -12.726 -11.095 7.469 1.00 12.50 N ATOM 759 CA LYS A 46 -13.334 -9.986 6.762 1.00 20.24 C ATOM 760 C LYS A 46 -13.311 -8.686 7.546 1.00 52.12 C ATOM 761 O LYS A 46 -12.564 -7.767 7.218 1.00 2.34 O ATOM 762 CB LYS A 46 -14.767 -10.343 6.379 1.00 45.44 C ATOM 763 CG LYS A 46 -14.887 -11.288 5.199 1.00 3.43 C ATOM 764 CD LYS A 46 -15.144 -10.533 3.898 1.00 10.03 C ATOM 765 CE LYS A 46 -14.032 -9.556 3.526 1.00 32.44 C ATOM 766 NZ LYS A 46 -12.763 -10.223 3.129 1.00 52.32 N ATOM 0 H LYS A 46 -13.354 -11.887 7.604 1.00 12.50 H new ATOM 0 HA LYS A 46 -12.735 -9.816 5.867 1.00 20.24 H new ATOM 0 HB2 LYS A 46 -15.258 -10.795 7.241 1.00 45.44 H new ATOM 0 HB3 LYS A 46 -15.307 -9.425 6.149 1.00 45.44 H new ATOM 0 HG2 LYS A 46 -13.972 -11.873 5.106 1.00 3.43 H new ATOM 0 HG3 LYS A 46 -15.699 -11.993 5.378 1.00 3.43 H new ATOM 0 HD2 LYS A 46 -15.269 -11.253 3.089 1.00 10.03 H new ATOM 0 HD3 LYS A 46 -16.083 -9.986 3.985 1.00 10.03 H new ATOM 0 HE2 LYS A 46 -14.373 -8.925 2.705 1.00 32.44 H new ATOM 0 HE3 LYS A 46 -13.838 -8.899 4.374 1.00 32.44 H new ATOM 0 HZ1 LYS A 46 -12.144 -9.536 2.653 1.00 52.32 H new ATOM 0 HZ2 LYS A 46 -12.285 -10.592 3.976 1.00 52.32 H new ATOM 0 HZ3 LYS A 46 -12.972 -11.008 2.480 1.00 52.32 H new ATOM 780 N GLY A 47 -14.162 -8.596 8.530 1.00 21.55 N ATOM 781 CA GLY A 47 -14.255 -7.402 9.337 1.00 23.34 C ATOM 782 C GLY A 47 -15.171 -6.393 8.688 1.00 45.31 C ATOM 783 O GLY A 47 -16.144 -5.940 9.295 1.00 44.54 O ATOM 0 H GLY A 47 -14.808 -9.339 8.797 1.00 21.55 H new ATOM 0 HA2 GLY A 47 -14.629 -7.655 10.329 1.00 23.34 H new ATOM 0 HA3 GLY A 47 -13.264 -6.969 9.471 1.00 23.34 H new ATOM 787 N ARG A 48 -14.855 -6.061 7.450 1.00 72.22 N ATOM 788 CA ARG A 48 -15.631 -5.155 6.644 1.00 22.12 C ATOM 789 C ARG A 48 -16.978 -5.838 6.347 1.00 42.32 C ATOM 790 O ARG A 48 -17.009 -7.022 5.974 1.00 64.11 O ATOM 791 CB ARG A 48 -14.867 -4.846 5.351 1.00 12.53 C ATOM 792 CG ARG A 48 -15.253 -3.536 4.667 1.00 55.34 C ATOM 793 CD ARG A 48 -14.524 -3.395 3.353 1.00 64.33 C ATOM 794 NE ARG A 48 -14.574 -2.031 2.791 1.00 11.22 N ATOM 795 CZ ARG A 48 -14.308 -1.724 1.501 1.00 23.12 C ATOM 796 NH1 ARG A 48 -14.211 -2.681 0.592 1.00 0.44 N ATOM 797 NH2 ARG A 48 -14.187 -0.459 1.124 1.00 22.45 N ATOM 0 H ARG A 48 -14.031 -6.426 6.972 1.00 72.22 H new ATOM 0 HA ARG A 48 -15.807 -4.211 7.160 1.00 22.12 H new ATOM 0 HB2 ARG A 48 -13.801 -4.820 5.575 1.00 12.53 H new ATOM 0 HB3 ARG A 48 -15.026 -5.665 4.649 1.00 12.53 H new ATOM 0 HG2 ARG A 48 -16.329 -3.510 4.498 1.00 55.34 H new ATOM 0 HG3 ARG A 48 -15.012 -2.694 5.316 1.00 55.34 H new ATOM 0 HD2 ARG A 48 -13.482 -3.683 3.493 1.00 64.33 H new ATOM 0 HD3 ARG A 48 -14.953 -4.091 2.633 1.00 64.33 H new ATOM 0 HE ARG A 48 -14.826 -1.268 3.419 1.00 11.22 H new ATOM 0 HH11 ARG A 48 -14.337 -3.656 0.863 1.00 0.44 H new ATOM 0 HH12 ARG A 48 -14.010 -2.443 -0.379 1.00 0.44 H new ATOM 0 HH21 ARG A 48 -14.295 0.290 1.808 1.00 22.45 H new ATOM 0 HH22 ARG A 48 -13.986 -0.234 0.150 1.00 22.45 H new ATOM 811 N PRO A 49 -18.082 -5.113 6.516 1.00 64.33 N ATOM 812 CA PRO A 49 -19.435 -5.669 6.449 1.00 52.45 C ATOM 813 C PRO A 49 -19.842 -6.279 5.098 1.00 61.10 C ATOM 814 O PRO A 49 -20.147 -5.559 4.134 1.00 1.03 O ATOM 815 CB PRO A 49 -20.348 -4.499 6.818 1.00 71.42 C ATOM 816 CG PRO A 49 -19.527 -3.271 6.642 1.00 0.00 C ATOM 817 CD PRO A 49 -18.092 -3.674 6.785 1.00 55.43 C ATOM 0 HA PRO A 49 -19.506 -6.522 7.124 1.00 52.45 H new ATOM 0 HB2 PRO A 49 -21.230 -4.475 6.178 1.00 71.42 H new ATOM 0 HB3 PRO A 49 -20.702 -4.588 7.845 1.00 71.42 H new ATOM 0 HG2 PRO A 49 -19.706 -2.826 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.792 -2.521 7.387 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.457 -3.135 6.082 1.00 55.43 H new ATOM 0 HD3 PRO A 49 -17.717 -3.455 7.785 1.00 55.43 H new ATOM 825 N PHE A 50 -19.753 -7.613 5.042 1.00 31.14 N ATOM 826 CA PHE A 50 -20.238 -8.470 3.940 1.00 74.10 C ATOM 827 C PHE A 50 -19.556 -8.172 2.578 1.00 75.24 C ATOM 828 O PHE A 50 -19.959 -8.685 1.531 1.00 15.13 O ATOM 829 CB PHE A 50 -21.792 -8.381 3.864 1.00 15.33 C ATOM 830 CG PHE A 50 -22.468 -9.396 2.972 1.00 4.25 C ATOM 831 CD1 PHE A 50 -22.433 -10.746 3.287 1.00 75.13 C ATOM 832 CD2 PHE A 50 -23.134 -9.000 1.822 1.00 73.11 C ATOM 833 CE1 PHE A 50 -23.049 -11.680 2.475 1.00 32.15 C ATOM 834 CE2 PHE A 50 -23.750 -9.928 1.005 1.00 24.33 C ATOM 835 CZ PHE A 50 -23.708 -11.270 1.333 1.00 32.31 C ATOM 0 H PHE A 50 -19.323 -8.153 5.793 1.00 31.14 H new ATOM 0 HA PHE A 50 -19.953 -9.498 4.164 1.00 74.10 H new ATOM 0 HB2 PHE A 50 -22.192 -8.488 4.872 1.00 15.33 H new ATOM 0 HB3 PHE A 50 -22.063 -7.384 3.517 1.00 15.33 H new ATOM 0 HD1 PHE A 50 -21.918 -11.072 4.178 1.00 75.13 H new ATOM 0 HD2 PHE A 50 -23.172 -7.953 1.562 1.00 73.11 H new ATOM 0 HE1 PHE A 50 -23.015 -12.728 2.733 1.00 32.15 H new ATOM 0 HE2 PHE A 50 -24.264 -9.605 0.111 1.00 24.33 H new ATOM 0 HZ PHE A 50 -24.190 -11.997 0.697 1.00 32.31 H new ATOM 845 N ARG A 51 -18.513 -7.404 2.599 1.00 72.20 N ATOM 846 CA ARG A 51 -17.817 -7.043 1.392 1.00 43.24 C ATOM 847 C ARG A 51 -16.358 -6.864 1.704 1.00 62.14 C ATOM 848 O ARG A 51 -16.008 -6.287 2.732 1.00 41.24 O ATOM 849 CB ARG A 51 -18.412 -5.748 0.801 1.00 14.02 C ATOM 850 CG ARG A 51 -17.738 -5.238 -0.470 1.00 31.01 C ATOM 851 CD ARG A 51 -17.805 -6.253 -1.594 1.00 61.33 C ATOM 852 NE ARG A 51 -17.165 -5.758 -2.812 1.00 44.12 N ATOM 853 CZ ARG A 51 -16.997 -6.467 -3.932 1.00 73.34 C ATOM 854 NH1 ARG A 51 -17.277 -7.768 -3.948 1.00 71.43 N ATOM 855 NH2 ARG A 51 -16.484 -5.891 -5.011 1.00 42.23 N ATOM 0 H ARG A 51 -18.115 -7.007 3.450 1.00 72.20 H new ATOM 0 HA ARG A 51 -17.931 -7.834 0.651 1.00 43.24 H new ATOM 0 HB2 ARG A 51 -19.468 -5.917 0.589 1.00 14.02 H new ATOM 0 HB3 ARG A 51 -18.360 -4.966 1.558 1.00 14.02 H new ATOM 0 HG2 ARG A 51 -18.217 -4.312 -0.788 1.00 31.01 H new ATOM 0 HG3 ARG A 51 -16.696 -5.000 -0.257 1.00 31.01 H new ATOM 0 HD2 ARG A 51 -17.320 -7.177 -1.279 1.00 61.33 H new ATOM 0 HD3 ARG A 51 -18.847 -6.495 -1.804 1.00 61.33 H new ATOM 0 HE ARG A 51 -16.820 -4.798 -2.806 1.00 44.12 H new ATOM 0 HH11 ARG A 51 -17.621 -8.226 -3.104 1.00 71.43 H new ATOM 0 HH12 ARG A 51 -17.148 -8.307 -4.804 1.00 71.43 H new ATOM 0 HH21 ARG A 51 -16.218 -4.907 -4.986 1.00 42.23 H new ATOM 0 HH22 ARG A 51 -16.356 -6.432 -5.866 1.00 42.23 H new ATOM 869 N GLY A 52 -15.522 -7.391 0.861 1.00 62.35 N ATOM 870 CA GLY A 52 -14.123 -7.239 1.034 1.00 44.52 C ATOM 871 C GLY A 52 -13.604 -6.052 0.302 1.00 32.15 C ATOM 872 O GLY A 52 -14.370 -5.293 -0.292 1.00 53.34 O ATOM 0 H GLY A 52 -15.795 -7.934 0.042 1.00 62.35 H new ATOM 0 HA2 GLY A 52 -13.896 -7.140 2.096 1.00 44.52 H new ATOM 0 HA3 GLY A 52 -13.613 -8.136 0.682 1.00 44.52 H new ATOM 876 N MET A 53 -12.333 -5.868 0.366 1.00 31.15 N ATOM 877 CA MET A 53 -11.664 -4.789 -0.277 1.00 31.25 C ATOM 878 C MET A 53 -11.283 -5.243 -1.666 1.00 65.04 C ATOM 879 O MET A 53 -10.488 -6.184 -1.819 1.00 71.21 O ATOM 880 CB MET A 53 -10.405 -4.510 0.505 1.00 4.53 C ATOM 881 CG MET A 53 -9.765 -3.210 0.200 1.00 21.35 C ATOM 882 SD MET A 53 -8.109 -3.149 0.895 1.00 54.14 S ATOM 883 CE MET A 53 -7.660 -1.430 0.707 1.00 15.20 C ATOM 0 H MET A 53 -11.707 -6.485 0.885 1.00 31.15 H new ATOM 0 HA MET A 53 -12.292 -3.900 -0.328 1.00 31.25 H new ATOM 0 HB2 MET A 53 -10.639 -4.544 1.569 1.00 4.53 H new ATOM 0 HB3 MET A 53 -9.688 -5.308 0.311 1.00 4.53 H new ATOM 0 HG2 MET A 53 -9.719 -3.064 -0.879 1.00 21.35 H new ATOM 0 HG3 MET A 53 -10.367 -2.397 0.606 1.00 21.35 H new ATOM 0 HE1 MET A 53 -6.730 -1.356 0.143 1.00 15.20 H new ATOM 0 HE2 MET A 53 -8.451 -0.904 0.173 1.00 15.20 H new ATOM 0 HE3 MET A 53 -7.525 -0.980 1.690 1.00 15.20 H new ATOM 893 N SER A 54 -11.852 -4.648 -2.671 1.00 2.20 N ATOM 894 CA SER A 54 -11.490 -5.022 -4.006 1.00 23.32 C ATOM 895 C SER A 54 -10.167 -4.350 -4.334 1.00 23.11 C ATOM 896 O SER A 54 -9.932 -3.232 -3.916 1.00 1.35 O ATOM 897 CB SER A 54 -12.587 -4.576 -4.956 1.00 50.45 C ATOM 898 OG SER A 54 -13.828 -5.107 -4.538 1.00 64.41 O ATOM 0 H SER A 54 -12.557 -3.914 -2.596 1.00 2.20 H new ATOM 0 HA SER A 54 -11.377 -6.102 -4.104 1.00 23.32 H new ATOM 0 HB2 SER A 54 -12.637 -3.487 -4.982 1.00 50.45 H new ATOM 0 HB3 SER A 54 -12.361 -4.909 -5.969 1.00 50.45 H new ATOM 0 HG SER A 54 -14.394 -4.384 -4.195 1.00 64.41 H new ATOM 904 N GLU A 55 -9.361 -4.982 -5.138 1.00 2.41 N ATOM 905 CA GLU A 55 -8.029 -4.538 -5.419 1.00 64.43 C ATOM 906 C GLU A 55 -8.026 -3.246 -6.232 1.00 21.30 C ATOM 907 O GLU A 55 -7.157 -2.389 -6.063 1.00 13.43 O ATOM 908 CB GLU A 55 -7.333 -5.654 -6.123 1.00 41.33 C ATOM 909 CG GLU A 55 -5.894 -5.433 -6.300 1.00 43.21 C ATOM 910 CD GLU A 55 -5.219 -6.665 -6.777 1.00 62.23 C ATOM 911 OE1 GLU A 55 -4.809 -7.475 -5.937 1.00 24.13 O ATOM 912 OE2 GLU A 55 -5.121 -6.863 -8.002 1.00 21.42 O ATOM 0 H GLU A 55 -9.619 -5.839 -5.627 1.00 2.41 H new ATOM 0 HA GLU A 55 -7.502 -4.296 -4.496 1.00 64.43 H new ATOM 0 HB2 GLU A 55 -7.484 -6.576 -5.561 1.00 41.33 H new ATOM 0 HB3 GLU A 55 -7.793 -5.798 -7.101 1.00 41.33 H new ATOM 0 HG2 GLU A 55 -5.732 -4.626 -7.015 1.00 43.21 H new ATOM 0 HG3 GLU A 55 -5.453 -5.115 -5.355 1.00 43.21 H new ATOM 919 N GLU A 56 -9.019 -3.092 -7.062 1.00 53.34 N ATOM 920 CA GLU A 56 -9.188 -1.883 -7.828 1.00 33.32 C ATOM 921 C GLU A 56 -9.509 -0.709 -6.890 1.00 14.13 C ATOM 922 O GLU A 56 -9.038 0.417 -7.092 1.00 22.11 O ATOM 923 CB GLU A 56 -10.297 -2.074 -8.850 1.00 72.41 C ATOM 924 CG GLU A 56 -10.518 -0.885 -9.750 1.00 14.14 C ATOM 925 CD GLU A 56 -11.565 -1.150 -10.782 1.00 71.12 C ATOM 926 OE1 GLU A 56 -11.239 -1.758 -11.822 1.00 65.22 O ATOM 927 OE2 GLU A 56 -12.730 -0.759 -10.582 1.00 54.30 O ATOM 0 H GLU A 56 -9.735 -3.799 -7.229 1.00 53.34 H new ATOM 0 HA GLU A 56 -8.262 -1.657 -8.357 1.00 33.32 H new ATOM 0 HB2 GLU A 56 -10.063 -2.943 -9.465 1.00 72.41 H new ATOM 0 HB3 GLU A 56 -11.226 -2.296 -8.325 1.00 72.41 H new ATOM 0 HG2 GLU A 56 -10.812 -0.025 -9.148 1.00 14.14 H new ATOM 0 HG3 GLU A 56 -9.581 -0.624 -10.243 1.00 14.14 H new ATOM 934 N GLU A 57 -10.249 -0.989 -5.822 1.00 45.15 N ATOM 935 CA GLU A 57 -10.610 0.047 -4.887 1.00 22.53 C ATOM 936 C GLU A 57 -9.425 0.291 -3.963 1.00 25.22 C ATOM 937 O GLU A 57 -9.248 1.383 -3.424 1.00 34.12 O ATOM 938 CB GLU A 57 -11.901 -0.306 -4.124 1.00 52.32 C ATOM 939 CG GLU A 57 -11.712 -0.892 -2.751 1.00 45.21 C ATOM 940 CD GLU A 57 -13.015 -1.184 -2.078 1.00 42.41 C ATOM 941 OE1 GLU A 57 -13.721 -0.232 -1.652 1.00 44.41 O ATOM 942 OE2 GLU A 57 -13.362 -2.365 -1.934 1.00 21.53 O ATOM 0 H GLU A 57 -10.603 -1.918 -5.592 1.00 45.15 H new ATOM 0 HA GLU A 57 -10.834 0.971 -5.419 1.00 22.53 H new ATOM 0 HB2 GLU A 57 -12.505 0.597 -4.033 1.00 52.32 H new ATOM 0 HB3 GLU A 57 -12.473 -1.013 -4.724 1.00 52.32 H new ATOM 0 HG2 GLU A 57 -11.130 -1.811 -2.827 1.00 45.21 H new ATOM 0 HG3 GLU A 57 -11.136 -0.199 -2.138 1.00 45.21 H new ATOM 949 N VAL A 58 -8.583 -0.736 -3.840 1.00 15.43 N ATOM 950 CA VAL A 58 -7.370 -0.662 -3.099 1.00 61.53 C ATOM 951 C VAL A 58 -6.454 0.353 -3.731 1.00 13.22 C ATOM 952 O VAL A 58 -6.041 1.317 -3.084 1.00 31.40 O ATOM 953 CB VAL A 58 -6.665 -2.039 -3.072 1.00 22.31 C ATOM 954 CG1 VAL A 58 -5.274 -1.929 -2.548 1.00 51.20 C ATOM 955 CG2 VAL A 58 -7.443 -3.015 -2.244 1.00 31.20 C ATOM 0 H VAL A 58 -8.748 -1.647 -4.268 1.00 15.43 H new ATOM 0 HA VAL A 58 -7.604 -0.365 -2.077 1.00 61.53 H new ATOM 0 HB VAL A 58 -6.617 -2.401 -4.099 1.00 22.31 H new ATOM 0 HG11 VAL A 58 -4.808 -2.914 -2.543 1.00 51.20 H new ATOM 0 HG12 VAL A 58 -4.697 -1.258 -3.185 1.00 51.20 H new ATOM 0 HG13 VAL A 58 -5.298 -1.534 -1.533 1.00 51.20 H new ATOM 0 HG21 VAL A 58 -6.930 -3.977 -2.238 1.00 31.20 H new ATOM 0 HG22 VAL A 58 -7.526 -2.641 -1.223 1.00 31.20 H new ATOM 0 HG23 VAL A 58 -8.440 -3.138 -2.667 1.00 31.20 H new ATOM 965 N PHE A 59 -6.198 0.166 -5.020 1.00 74.41 N ATOM 966 CA PHE A 59 -5.305 1.031 -5.750 1.00 11.13 C ATOM 967 C PHE A 59 -5.838 2.458 -5.754 1.00 73.42 C ATOM 968 O PHE A 59 -5.068 3.408 -5.707 1.00 12.12 O ATOM 969 CB PHE A 59 -5.070 0.516 -7.180 1.00 70.40 C ATOM 970 CG PHE A 59 -3.973 1.261 -7.901 1.00 54.50 C ATOM 971 CD1 PHE A 59 -2.649 0.895 -7.727 1.00 1.44 C ATOM 972 CD2 PHE A 59 -4.260 2.330 -8.731 1.00 23.10 C ATOM 973 CE1 PHE A 59 -1.636 1.581 -8.361 1.00 3.41 C ATOM 974 CE2 PHE A 59 -3.251 3.020 -9.370 1.00 1.24 C ATOM 975 CZ PHE A 59 -1.937 2.645 -9.184 1.00 21.22 C ATOM 0 H PHE A 59 -6.604 -0.586 -5.577 1.00 74.41 H new ATOM 0 HA PHE A 59 -4.339 1.029 -5.246 1.00 11.13 H new ATOM 0 HB2 PHE A 59 -4.818 -0.544 -7.142 1.00 70.40 H new ATOM 0 HB3 PHE A 59 -5.996 0.603 -7.749 1.00 70.40 H new ATOM 0 HD1 PHE A 59 -2.407 0.060 -7.086 1.00 1.44 H new ATOM 0 HD2 PHE A 59 -5.287 2.628 -8.881 1.00 23.10 H new ATOM 0 HE1 PHE A 59 -0.608 1.285 -8.213 1.00 3.41 H new ATOM 0 HE2 PHE A 59 -3.490 3.853 -10.015 1.00 1.24 H new ATOM 0 HZ PHE A 59 -1.145 3.184 -9.682 1.00 21.22 H new ATOM 985 N THR A 60 -7.155 2.591 -5.747 1.00 3.43 N ATOM 986 CA THR A 60 -7.794 3.827 -5.705 1.00 44.33 C ATOM 987 C THR A 60 -7.441 4.614 -4.428 1.00 52.11 C ATOM 988 O THR A 60 -7.027 5.768 -4.518 1.00 12.34 O ATOM 989 CB THR A 60 -9.291 3.602 -5.795 1.00 43.12 C ATOM 990 OG1 THR A 60 -9.621 3.057 -7.090 1.00 65.33 O ATOM 991 CG2 THR A 60 -10.000 4.877 -5.569 1.00 30.22 C ATOM 0 H THR A 60 -7.796 1.798 -5.772 1.00 3.43 H new ATOM 0 HA THR A 60 -7.453 4.427 -6.549 1.00 44.33 H new ATOM 0 HB THR A 60 -9.602 2.892 -5.029 1.00 43.12 H new ATOM 0 HG1 THR A 60 -9.565 2.079 -7.057 1.00 65.33 H new ATOM 0 HG21 THR A 60 -11.075 4.712 -5.634 1.00 30.22 H new ATOM 0 HG22 THR A 60 -9.751 5.261 -4.580 1.00 30.22 H new ATOM 0 HG23 THR A 60 -9.697 5.601 -6.326 1.00 30.22 H new ATOM 999 N GLU A 61 -7.544 3.980 -3.256 1.00 54.54 N ATOM 1000 CA GLU A 61 -7.275 4.676 -2.020 1.00 61.34 C ATOM 1001 C GLU A 61 -5.814 5.043 -1.909 1.00 23.12 C ATOM 1002 O GLU A 61 -5.458 6.062 -1.336 1.00 72.23 O ATOM 1003 CB GLU A 61 -7.728 3.856 -0.828 1.00 21.04 C ATOM 1004 CG GLU A 61 -9.213 3.910 -0.629 1.00 75.13 C ATOM 1005 CD GLU A 61 -9.659 5.294 -0.231 1.00 42.55 C ATOM 1006 OE1 GLU A 61 -9.880 6.138 -1.104 1.00 51.33 O ATOM 1007 OE2 GLU A 61 -9.785 5.573 0.987 1.00 52.40 O ATOM 0 H GLU A 61 -7.808 3.001 -3.150 1.00 54.54 H new ATOM 0 HA GLU A 61 -7.848 5.603 -2.024 1.00 61.34 H new ATOM 0 HB2 GLU A 61 -7.420 2.819 -0.965 1.00 21.04 H new ATOM 0 HB3 GLU A 61 -7.230 4.220 0.071 1.00 21.04 H new ATOM 0 HG2 GLU A 61 -9.717 3.613 -1.549 1.00 75.13 H new ATOM 0 HG3 GLU A 61 -9.506 3.195 0.140 1.00 75.13 H new ATOM 1014 N VAL A 62 -4.982 4.222 -2.491 1.00 24.52 N ATOM 1015 CA VAL A 62 -3.559 4.451 -2.506 1.00 2.31 C ATOM 1016 C VAL A 62 -3.206 5.601 -3.482 1.00 71.22 C ATOM 1017 O VAL A 62 -2.363 6.447 -3.186 1.00 34.01 O ATOM 1018 CB VAL A 62 -2.813 3.153 -2.870 1.00 35.01 C ATOM 1019 CG1 VAL A 62 -1.329 3.333 -2.758 1.00 42.33 C ATOM 1020 CG2 VAL A 62 -3.256 2.040 -1.949 1.00 41.01 C ATOM 0 H VAL A 62 -5.272 3.370 -2.971 1.00 24.52 H new ATOM 0 HA VAL A 62 -3.238 4.753 -1.509 1.00 2.31 H new ATOM 0 HB VAL A 62 -3.052 2.899 -3.903 1.00 35.01 H new ATOM 0 HG11 VAL A 62 -0.829 2.401 -3.021 1.00 42.33 H new ATOM 0 HG12 VAL A 62 -1.006 4.122 -3.437 1.00 42.33 H new ATOM 0 HG13 VAL A 62 -1.072 3.607 -1.735 1.00 42.33 H new ATOM 0 HG21 VAL A 62 -2.728 1.122 -2.207 1.00 41.01 H new ATOM 0 HG22 VAL A 62 -3.031 2.310 -0.917 1.00 41.01 H new ATOM 0 HG23 VAL A 62 -4.329 1.884 -2.057 1.00 41.01 H new ATOM 1030 N ALA A 63 -3.885 5.643 -4.620 1.00 44.32 N ATOM 1031 CA ALA A 63 -3.706 6.729 -5.596 1.00 24.14 C ATOM 1032 C ALA A 63 -4.215 8.043 -5.011 1.00 54.14 C ATOM 1033 O ALA A 63 -3.662 9.097 -5.240 1.00 15.22 O ATOM 1034 CB ALA A 63 -4.427 6.408 -6.901 1.00 12.44 C ATOM 0 H ALA A 63 -4.569 4.939 -4.898 1.00 44.32 H new ATOM 0 HA ALA A 63 -2.643 6.829 -5.815 1.00 24.14 H new ATOM 0 HB1 ALA A 63 -4.281 7.225 -7.608 1.00 12.44 H new ATOM 0 HB2 ALA A 63 -4.024 5.487 -7.322 1.00 12.44 H new ATOM 0 HB3 ALA A 63 -5.492 6.282 -6.707 1.00 12.44 H new ATOM 1040 N ASN A 64 -5.279 7.935 -4.253 1.00 50.33 N ATOM 1041 CA ASN A 64 -5.880 9.040 -3.509 1.00 4.51 C ATOM 1042 C ASN A 64 -4.927 9.551 -2.425 1.00 40.44 C ATOM 1043 O ASN A 64 -4.801 10.762 -2.197 1.00 44.30 O ATOM 1044 CB ASN A 64 -7.206 8.526 -2.933 1.00 43.45 C ATOM 1045 CG ASN A 64 -7.797 9.265 -1.734 1.00 75.42 C ATOM 1046 OD1 ASN A 64 -7.619 10.460 -1.540 1.00 10.31 O ATOM 1047 ND2 ASN A 64 -8.514 8.533 -0.913 1.00 53.32 N ATOM 0 H ASN A 64 -5.774 7.052 -4.126 1.00 50.33 H new ATOM 0 HA ASN A 64 -6.071 9.895 -4.157 1.00 4.51 H new ATOM 0 HB2 ASN A 64 -7.946 8.540 -3.733 1.00 43.45 H new ATOM 0 HB3 ASN A 64 -7.065 7.484 -2.647 1.00 43.45 H new ATOM 0 HD21 ASN A 64 -8.939 8.958 -0.089 1.00 53.32 H new ATOM 0 HD22 ASN A 64 -8.646 7.539 -1.099 1.00 53.32 H new ATOM 1054 N LEU A 65 -4.236 8.626 -1.809 1.00 61.12 N ATOM 1055 CA LEU A 65 -3.296 8.876 -0.762 1.00 13.41 C ATOM 1056 C LEU A 65 -2.097 9.674 -1.334 1.00 62.45 C ATOM 1057 O LEU A 65 -1.802 10.785 -0.887 1.00 10.44 O ATOM 1058 CB LEU A 65 -2.807 7.514 -0.299 1.00 42.51 C ATOM 1059 CG LEU A 65 -2.398 7.293 1.122 1.00 44.44 C ATOM 1060 CD1 LEU A 65 -1.272 8.151 1.480 1.00 23.11 C ATOM 1061 CD2 LEU A 65 -3.519 7.442 2.098 1.00 42.23 C ATOM 0 H LEU A 65 -4.322 7.636 -2.039 1.00 61.12 H new ATOM 0 HA LEU A 65 -3.744 9.445 0.053 1.00 13.41 H new ATOM 0 HB2 LEU A 65 -3.597 6.797 -0.521 1.00 42.51 H new ATOM 0 HB3 LEU A 65 -1.953 7.250 -0.923 1.00 42.51 H new ATOM 0 HG LEU A 65 -2.083 6.252 1.187 1.00 44.44 H new ATOM 0 HD11 LEU A 65 -0.993 7.971 2.518 1.00 23.11 H new ATOM 0 HD12 LEU A 65 -0.424 7.927 0.833 1.00 23.11 H new ATOM 0 HD13 LEU A 65 -1.557 9.196 1.356 1.00 23.11 H new ATOM 0 HD21 LEU A 65 -3.148 7.268 3.108 1.00 42.23 H new ATOM 0 HD22 LEU A 65 -3.928 8.450 2.031 1.00 42.23 H new ATOM 0 HD23 LEU A 65 -4.300 6.717 1.868 1.00 42.23 H new ATOM 1073 N PHE A 66 -1.455 9.115 -2.351 1.00 24.11 N ATOM 1074 CA PHE A 66 -0.237 9.704 -2.918 1.00 75.25 C ATOM 1075 C PHE A 66 -0.549 10.415 -4.211 1.00 2.25 C ATOM 1076 O PHE A 66 0.241 10.362 -5.160 1.00 52.43 O ATOM 1077 CB PHE A 66 0.800 8.614 -3.206 1.00 60.35 C ATOM 1078 CG PHE A 66 0.999 7.667 -2.088 1.00 31.14 C ATOM 1079 CD1 PHE A 66 1.457 8.103 -0.875 1.00 22.51 C ATOM 1080 CD2 PHE A 66 0.711 6.334 -2.248 1.00 11.20 C ATOM 1081 CE1 PHE A 66 1.618 7.227 0.158 1.00 10.50 C ATOM 1082 CE2 PHE A 66 0.875 5.458 -1.217 1.00 24.14 C ATOM 1083 CZ PHE A 66 1.326 5.903 -0.016 1.00 71.24 C ATOM 0 H PHE A 66 -1.754 8.252 -2.805 1.00 24.11 H new ATOM 0 HA PHE A 66 0.160 10.412 -2.191 1.00 75.25 H new ATOM 0 HB2 PHE A 66 0.491 8.057 -4.091 1.00 60.35 H new ATOM 0 HB3 PHE A 66 1.753 9.086 -3.443 1.00 60.35 H new ATOM 0 HD1 PHE A 66 1.693 9.148 -0.734 1.00 22.51 H new ATOM 0 HD2 PHE A 66 0.351 5.976 -3.201 1.00 11.20 H new ATOM 0 HE1 PHE A 66 1.976 7.580 1.114 1.00 10.50 H new ATOM 0 HE2 PHE A 66 0.647 4.411 -1.355 1.00 24.14 H new ATOM 0 HZ PHE A 66 1.454 5.210 0.803 1.00 71.24 H new ATOM 1093 N ARG A 67 -1.673 11.096 -4.234 1.00 32.15 N ATOM 1094 CA ARG A 67 -2.123 11.829 -5.386 1.00 24.23 C ATOM 1095 C ARG A 67 -1.053 12.799 -5.908 1.00 24.02 C ATOM 1096 O ARG A 67 -0.662 13.763 -5.231 1.00 32.43 O ATOM 1097 CB ARG A 67 -3.445 12.538 -5.070 1.00 75.42 C ATOM 1098 CG ARG A 67 -3.411 13.397 -3.811 1.00 35.51 C ATOM 1099 CD ARG A 67 -4.760 14.015 -3.506 1.00 41.15 C ATOM 1100 NE ARG A 67 -5.218 14.942 -4.550 1.00 12.21 N ATOM 1101 CZ ARG A 67 -6.192 15.846 -4.382 1.00 34.34 C ATOM 1102 NH1 ARG A 67 -6.868 15.904 -3.242 1.00 2.22 N ATOM 1103 NH2 ARG A 67 -6.499 16.674 -5.364 1.00 34.34 N ATOM 0 H ARG A 67 -2.307 11.154 -3.437 1.00 32.15 H new ATOM 0 HA ARG A 67 -2.302 11.121 -6.195 1.00 24.23 H new ATOM 0 HB2 ARG A 67 -3.718 13.167 -5.917 1.00 75.42 H new ATOM 0 HB3 ARG A 67 -4.229 11.789 -4.963 1.00 75.42 H new ATOM 0 HG2 ARG A 67 -3.092 12.787 -2.965 1.00 35.51 H new ATOM 0 HG3 ARG A 67 -2.670 14.187 -3.932 1.00 35.51 H new ATOM 0 HD2 ARG A 67 -5.497 13.222 -3.384 1.00 41.15 H new ATOM 0 HD3 ARG A 67 -4.703 14.546 -2.556 1.00 41.15 H new ATOM 0 HE ARG A 67 -4.765 14.894 -5.462 1.00 12.21 H new ATOM 0 HH11 ARG A 67 -6.648 15.257 -2.485 1.00 2.22 H new ATOM 0 HH12 ARG A 67 -7.608 16.596 -3.123 1.00 2.22 H new ATOM 0 HH21 ARG A 67 -5.995 16.625 -6.249 1.00 34.34 H new ATOM 0 HH22 ARG A 67 -7.241 17.363 -5.237 1.00 34.34 H new ATOM 1117 N GLY A 68 -0.540 12.491 -7.078 1.00 51.25 N ATOM 1118 CA GLY A 68 0.470 13.307 -7.691 1.00 72.11 C ATOM 1119 C GLY A 68 1.820 12.617 -7.745 1.00 2.31 C ATOM 1120 O GLY A 68 2.650 12.933 -8.592 1.00 15.23 O ATOM 0 H GLY A 68 -0.812 11.673 -7.624 1.00 51.25 H new ATOM 0 HA2 GLY A 68 0.158 13.567 -8.702 1.00 72.11 H new ATOM 0 HA3 GLY A 68 0.565 14.241 -7.136 1.00 72.11 H new ATOM 1124 N GLN A 69 2.050 11.679 -6.841 1.00 24.41 N ATOM 1125 CA GLN A 69 3.307 10.961 -6.777 1.00 73.53 C ATOM 1126 C GLN A 69 3.259 9.706 -7.645 1.00 51.02 C ATOM 1127 O GLN A 69 2.998 8.605 -7.151 1.00 4.50 O ATOM 1128 CB GLN A 69 3.595 10.574 -5.342 1.00 73.10 C ATOM 1129 CG GLN A 69 3.661 11.743 -4.383 1.00 64.13 C ATOM 1130 CD GLN A 69 4.866 12.598 -4.579 1.00 25.03 C ATOM 1131 OE1 GLN A 69 5.924 12.343 -4.013 1.00 3.25 O ATOM 1132 NE2 GLN A 69 4.724 13.623 -5.336 1.00 54.10 N ATOM 0 H GLN A 69 1.371 11.396 -6.134 1.00 24.41 H new ATOM 0 HA GLN A 69 4.098 11.611 -7.151 1.00 73.53 H new ATOM 0 HB2 GLN A 69 2.823 9.884 -5.002 1.00 73.10 H new ATOM 0 HB3 GLN A 69 4.542 10.036 -5.306 1.00 73.10 H new ATOM 0 HG2 GLN A 69 2.767 12.354 -4.504 1.00 64.13 H new ATOM 0 HG3 GLN A 69 3.654 11.366 -3.360 1.00 64.13 H new ATOM 0 HE21 GLN A 69 3.828 13.802 -5.790 1.00 54.10 H new ATOM 0 HE22 GLN A 69 5.507 14.260 -5.485 1.00 54.10 H new ATOM 1141 N GLU A 70 3.505 9.873 -8.927 1.00 12.41 N ATOM 1142 CA GLU A 70 3.409 8.774 -9.885 1.00 64.00 C ATOM 1143 C GLU A 70 4.421 7.669 -9.620 1.00 31.44 C ATOM 1144 O GLU A 70 4.129 6.491 -9.852 1.00 3.40 O ATOM 1145 CB GLU A 70 3.515 9.282 -11.318 1.00 5.42 C ATOM 1146 CG GLU A 70 2.376 10.200 -11.706 1.00 52.23 C ATOM 1147 CD GLU A 70 2.474 10.716 -13.117 1.00 54.02 C ATOM 1148 OE1 GLU A 70 3.316 11.587 -13.389 1.00 70.21 O ATOM 1149 OE2 GLU A 70 1.673 10.288 -13.983 1.00 23.35 O ATOM 0 H GLU A 70 3.776 10.765 -9.340 1.00 12.41 H new ATOM 0 HA GLU A 70 2.422 8.331 -9.749 1.00 64.00 H new ATOM 0 HB2 GLU A 70 4.459 9.812 -11.441 1.00 5.42 H new ATOM 0 HB3 GLU A 70 3.536 8.431 -11.999 1.00 5.42 H new ATOM 0 HG2 GLU A 70 1.433 9.666 -11.588 1.00 52.23 H new ATOM 0 HG3 GLU A 70 2.352 11.046 -11.019 1.00 52.23 H new ATOM 1156 N ASP A 71 5.580 8.035 -9.093 1.00 44.32 N ATOM 1157 CA ASP A 71 6.636 7.053 -8.794 1.00 15.24 C ATOM 1158 C ASP A 71 6.171 6.091 -7.721 1.00 20.45 C ATOM 1159 O ASP A 71 6.245 4.879 -7.889 1.00 74.43 O ATOM 1160 CB ASP A 71 7.937 7.745 -8.367 1.00 51.04 C ATOM 1161 CG ASP A 71 9.063 6.777 -8.016 1.00 74.54 C ATOM 1162 OD1 ASP A 71 9.869 6.418 -8.912 1.00 12.03 O ATOM 1163 OD2 ASP A 71 9.202 6.406 -6.828 1.00 51.41 O ATOM 0 H ASP A 71 5.822 8.998 -8.861 1.00 44.32 H new ATOM 0 HA ASP A 71 6.841 6.492 -9.706 1.00 15.24 H new ATOM 0 HB2 ASP A 71 8.271 8.399 -9.172 1.00 51.04 H new ATOM 0 HB3 ASP A 71 7.734 8.380 -7.504 1.00 51.04 H new ATOM 1168 N LEU A 72 5.602 6.639 -6.664 1.00 52.11 N ATOM 1169 CA LEU A 72 5.128 5.843 -5.541 1.00 41.35 C ATOM 1170 C LEU A 72 3.973 4.943 -5.965 1.00 61.21 C ATOM 1171 O LEU A 72 3.884 3.791 -5.556 1.00 54.41 O ATOM 1172 CB LEU A 72 4.691 6.742 -4.381 1.00 44.31 C ATOM 1173 CG LEU A 72 5.757 7.664 -3.783 1.00 72.41 C ATOM 1174 CD1 LEU A 72 5.149 8.484 -2.661 1.00 11.23 C ATOM 1175 CD2 LEU A 72 6.959 6.863 -3.275 1.00 2.24 C ATOM 0 H LEU A 72 5.455 7.643 -6.557 1.00 52.11 H new ATOM 0 HA LEU A 72 5.954 5.217 -5.205 1.00 41.35 H new ATOM 0 HB2 LEU A 72 3.861 7.360 -4.724 1.00 44.31 H new ATOM 0 HB3 LEU A 72 4.306 6.106 -3.584 1.00 44.31 H new ATOM 0 HG LEU A 72 6.115 8.335 -4.564 1.00 72.41 H new ATOM 0 HD11 LEU A 72 5.909 9.140 -2.236 1.00 11.23 H new ATOM 0 HD12 LEU A 72 4.329 9.085 -3.053 1.00 11.23 H new ATOM 0 HD13 LEU A 72 4.771 7.817 -1.886 1.00 11.23 H new ATOM 0 HD21 LEU A 72 7.699 7.544 -2.856 1.00 2.24 H new ATOM 0 HD22 LEU A 72 6.632 6.165 -2.505 1.00 2.24 H new ATOM 0 HD23 LEU A 72 7.403 6.309 -4.102 1.00 2.24 H new ATOM 1187 N LEU A 73 3.129 5.454 -6.829 1.00 5.12 N ATOM 1188 CA LEU A 73 1.964 4.707 -7.283 1.00 73.12 C ATOM 1189 C LEU A 73 2.410 3.559 -8.169 1.00 22.20 C ATOM 1190 O LEU A 73 1.865 2.451 -8.114 1.00 1.50 O ATOM 1191 CB LEU A 73 1.001 5.641 -8.024 1.00 42.44 C ATOM 1192 CG LEU A 73 0.533 6.866 -7.223 1.00 63.51 C ATOM 1193 CD1 LEU A 73 -0.389 7.750 -8.023 1.00 21.12 C ATOM 1194 CD2 LEU A 73 -0.112 6.461 -5.917 1.00 4.14 C ATOM 0 H LEU A 73 3.221 6.385 -7.236 1.00 5.12 H new ATOM 0 HA LEU A 73 1.435 4.292 -6.425 1.00 73.12 H new ATOM 0 HB2 LEU A 73 1.486 5.987 -8.937 1.00 42.44 H new ATOM 0 HB3 LEU A 73 0.125 5.068 -8.326 1.00 42.44 H new ATOM 0 HG LEU A 73 1.426 7.448 -6.994 1.00 63.51 H new ATOM 0 HD11 LEU A 73 -0.693 8.602 -7.416 1.00 21.12 H new ATOM 0 HD12 LEU A 73 0.130 8.106 -8.913 1.00 21.12 H new ATOM 0 HD13 LEU A 73 -1.271 7.182 -8.319 1.00 21.12 H new ATOM 0 HD21 LEU A 73 -0.431 7.352 -5.377 1.00 4.14 H new ATOM 0 HD22 LEU A 73 -0.978 5.830 -6.119 1.00 4.14 H new ATOM 0 HD23 LEU A 73 0.607 5.908 -5.312 1.00 4.14 H new ATOM 1206 N SER A 74 3.445 3.806 -8.926 1.00 2.43 N ATOM 1207 CA SER A 74 4.000 2.812 -9.786 1.00 52.01 C ATOM 1208 C SER A 74 4.783 1.761 -8.977 1.00 63.33 C ATOM 1209 O SER A 74 4.747 0.577 -9.304 1.00 12.41 O ATOM 1210 CB SER A 74 4.861 3.479 -10.843 1.00 13.13 C ATOM 1211 OG SER A 74 4.084 4.425 -11.571 1.00 30.10 O ATOM 0 H SER A 74 3.924 4.706 -8.959 1.00 2.43 H new ATOM 0 HA SER A 74 3.195 2.280 -10.292 1.00 52.01 H new ATOM 0 HB2 SER A 74 5.710 3.976 -10.373 1.00 13.13 H new ATOM 0 HB3 SER A 74 5.267 2.729 -11.522 1.00 13.13 H new ATOM 0 HG SER A 74 4.022 5.260 -11.061 1.00 30.10 H new ATOM 1217 N GLU A 75 5.475 2.185 -7.917 1.00 20.10 N ATOM 1218 CA GLU A 75 6.191 1.241 -7.049 1.00 31.30 C ATOM 1219 C GLU A 75 5.221 0.393 -6.257 1.00 3.23 C ATOM 1220 O GLU A 75 5.489 -0.774 -5.969 1.00 5.35 O ATOM 1221 CB GLU A 75 7.178 1.943 -6.129 1.00 12.32 C ATOM 1222 CG GLU A 75 8.344 2.562 -6.863 1.00 41.20 C ATOM 1223 CD GLU A 75 9.110 1.546 -7.679 1.00 1.53 C ATOM 1224 OE1 GLU A 75 10.036 0.901 -7.139 1.00 41.31 O ATOM 1225 OE2 GLU A 75 8.789 1.365 -8.872 1.00 50.32 O ATOM 0 H GLU A 75 5.556 3.163 -7.639 1.00 20.10 H new ATOM 0 HA GLU A 75 6.771 0.585 -7.698 1.00 31.30 H new ATOM 0 HB2 GLU A 75 6.655 2.720 -5.572 1.00 12.32 H new ATOM 0 HB3 GLU A 75 7.556 1.227 -5.399 1.00 12.32 H new ATOM 0 HG2 GLU A 75 7.980 3.352 -7.519 1.00 41.20 H new ATOM 0 HG3 GLU A 75 9.017 3.030 -6.144 1.00 41.20 H new ATOM 1232 N PHE A 76 4.088 0.976 -5.928 1.00 52.42 N ATOM 1233 CA PHE A 76 3.028 0.258 -5.272 1.00 52.51 C ATOM 1234 C PHE A 76 2.536 -0.858 -6.194 1.00 22.44 C ATOM 1235 O PHE A 76 2.404 -2.002 -5.783 1.00 2.13 O ATOM 1236 CB PHE A 76 1.886 1.215 -4.911 1.00 30.41 C ATOM 1237 CG PHE A 76 0.747 0.561 -4.194 1.00 10.14 C ATOM 1238 CD1 PHE A 76 0.879 0.179 -2.875 1.00 4.31 C ATOM 1239 CD2 PHE A 76 -0.449 0.319 -4.844 1.00 44.12 C ATOM 1240 CE1 PHE A 76 -0.155 -0.432 -2.210 1.00 32.54 C ATOM 1241 CE2 PHE A 76 -1.496 -0.299 -4.185 1.00 24.02 C ATOM 1242 CZ PHE A 76 -1.347 -0.674 -2.861 1.00 63.11 C ATOM 0 H PHE A 76 3.881 1.958 -6.109 1.00 52.42 H new ATOM 0 HA PHE A 76 3.398 -0.184 -4.347 1.00 52.51 H new ATOM 0 HB2 PHE A 76 2.281 2.017 -4.288 1.00 30.41 H new ATOM 0 HB3 PHE A 76 1.510 1.676 -5.824 1.00 30.41 H new ATOM 0 HD1 PHE A 76 1.809 0.363 -2.358 1.00 4.31 H new ATOM 0 HD2 PHE A 76 -0.567 0.615 -5.876 1.00 44.12 H new ATOM 0 HE1 PHE A 76 -0.035 -0.723 -1.177 1.00 32.54 H new ATOM 0 HE2 PHE A 76 -2.426 -0.488 -4.701 1.00 24.02 H new ATOM 0 HZ PHE A 76 -2.161 -1.155 -2.339 1.00 63.11 H new ATOM 1252 N GLY A 77 2.322 -0.513 -7.454 1.00 24.44 N ATOM 1253 CA GLY A 77 1.880 -1.491 -8.428 1.00 53.34 C ATOM 1254 C GLY A 77 2.961 -2.516 -8.754 1.00 71.21 C ATOM 1255 O GLY A 77 2.661 -3.644 -9.108 1.00 13.35 O ATOM 0 H GLY A 77 2.447 0.430 -7.822 1.00 24.44 H new ATOM 0 HA2 GLY A 77 0.998 -2.006 -8.047 1.00 53.34 H new ATOM 0 HA3 GLY A 77 1.581 -0.979 -9.343 1.00 53.34 H new ATOM 1259 N GLN A 78 4.212 -2.098 -8.649 1.00 62.12 N ATOM 1260 CA GLN A 78 5.366 -2.962 -8.841 1.00 30.23 C ATOM 1261 C GLN A 78 5.315 -4.057 -7.785 1.00 44.55 C ATOM 1262 O GLN A 78 5.345 -5.249 -8.098 1.00 44.40 O ATOM 1263 CB GLN A 78 6.646 -2.096 -8.675 1.00 50.54 C ATOM 1264 CG GLN A 78 7.999 -2.711 -9.078 1.00 32.42 C ATOM 1265 CD GLN A 78 8.439 -3.916 -8.254 1.00 51.21 C ATOM 1266 OE1 GLN A 78 8.173 -5.053 -8.608 1.00 14.40 O ATOM 1267 NE2 GLN A 78 9.090 -3.679 -7.148 1.00 30.30 N ATOM 0 H GLN A 78 4.458 -1.134 -8.425 1.00 62.12 H new ATOM 0 HA GLN A 78 5.370 -3.420 -9.830 1.00 30.23 H new ATOM 0 HB2 GLN A 78 6.509 -1.184 -9.256 1.00 50.54 H new ATOM 0 HB3 GLN A 78 6.714 -1.800 -7.628 1.00 50.54 H new ATOM 0 HG2 GLN A 78 7.947 -3.008 -10.126 1.00 32.42 H new ATOM 0 HG3 GLN A 78 8.766 -1.941 -9.003 1.00 32.42 H new ATOM 0 HE21 GLN A 78 9.300 -2.719 -6.875 1.00 30.30 H new ATOM 0 HE22 GLN A 78 9.389 -4.454 -6.556 1.00 30.30 H new ATOM 1276 N PHE A 79 5.203 -3.633 -6.540 1.00 4.40 N ATOM 1277 CA PHE A 79 5.169 -4.531 -5.412 1.00 21.53 C ATOM 1278 C PHE A 79 3.896 -5.382 -5.413 1.00 14.21 C ATOM 1279 O PHE A 79 3.920 -6.536 -5.003 1.00 75.12 O ATOM 1280 CB PHE A 79 5.310 -3.738 -4.099 1.00 70.22 C ATOM 1281 CG PHE A 79 5.345 -4.588 -2.855 1.00 54.44 C ATOM 1282 CD1 PHE A 79 6.448 -5.375 -2.569 1.00 71.23 C ATOM 1283 CD2 PHE A 79 4.272 -4.602 -1.976 1.00 52.23 C ATOM 1284 CE1 PHE A 79 6.483 -6.159 -1.433 1.00 14.32 C ATOM 1285 CE2 PHE A 79 4.302 -5.383 -0.839 1.00 33.41 C ATOM 1286 CZ PHE A 79 5.411 -6.163 -0.567 1.00 12.14 C ATOM 0 H PHE A 79 5.133 -2.648 -6.286 1.00 4.40 H new ATOM 0 HA PHE A 79 6.013 -5.216 -5.494 1.00 21.53 H new ATOM 0 HB2 PHE A 79 6.223 -3.145 -4.144 1.00 70.22 H new ATOM 0 HB3 PHE A 79 4.479 -3.037 -4.022 1.00 70.22 H new ATOM 0 HD1 PHE A 79 7.292 -5.376 -3.243 1.00 71.23 H new ATOM 0 HD2 PHE A 79 3.403 -3.995 -2.184 1.00 52.23 H new ATOM 0 HE1 PHE A 79 7.350 -6.768 -1.223 1.00 14.32 H new ATOM 0 HE2 PHE A 79 3.460 -5.385 -0.162 1.00 33.41 H new ATOM 0 HZ PHE A 79 5.437 -6.774 0.323 1.00 12.14 H new ATOM 1296 N LEU A 80 2.801 -4.824 -5.871 1.00 2.30 N ATOM 1297 CA LEU A 80 1.553 -5.555 -5.902 1.00 23.34 C ATOM 1298 C LEU A 80 1.395 -6.498 -7.079 1.00 73.13 C ATOM 1299 O LEU A 80 2.065 -6.374 -8.106 1.00 1.00 O ATOM 1300 CB LEU A 80 0.323 -4.669 -5.780 1.00 2.33 C ATOM 1301 CG LEU A 80 -0.221 -4.525 -4.378 1.00 52.54 C ATOM 1302 CD1 LEU A 80 0.592 -3.565 -3.551 1.00 60.13 C ATOM 1303 CD2 LEU A 80 -1.694 -4.197 -4.411 1.00 30.40 C ATOM 0 H LEU A 80 2.747 -3.870 -6.227 1.00 2.30 H new ATOM 0 HA LEU A 80 1.620 -6.173 -5.007 1.00 23.34 H new ATOM 0 HB2 LEU A 80 0.568 -3.678 -6.163 1.00 2.33 H new ATOM 0 HB3 LEU A 80 -0.462 -5.073 -6.419 1.00 2.33 H new ATOM 0 HG LEU A 80 -0.125 -5.485 -3.872 1.00 52.54 H new ATOM 0 HD11 LEU A 80 0.164 -3.493 -2.551 1.00 60.13 H new ATOM 0 HD12 LEU A 80 1.619 -3.924 -3.481 1.00 60.13 H new ATOM 0 HD13 LEU A 80 0.583 -2.582 -4.021 1.00 60.13 H new ATOM 0 HD21 LEU A 80 -2.067 -4.097 -3.392 1.00 30.40 H new ATOM 0 HD22 LEU A 80 -1.846 -3.260 -4.947 1.00 30.40 H new ATOM 0 HD23 LEU A 80 -2.234 -4.997 -4.918 1.00 30.40 H new ATOM 1315 N PRO A 81 0.554 -7.520 -6.896 1.00 54.34 N ATOM 1316 CA PRO A 81 0.189 -8.449 -7.954 1.00 14.11 C ATOM 1317 C PRO A 81 -0.941 -7.890 -8.824 1.00 25.13 C ATOM 1318 O PRO A 81 -1.711 -7.026 -8.375 1.00 4.42 O ATOM 1319 CB PRO A 81 -0.348 -9.642 -7.164 1.00 23.54 C ATOM 1320 CG PRO A 81 -0.974 -9.015 -5.961 1.00 22.02 C ATOM 1321 CD PRO A 81 -0.085 -7.890 -5.598 1.00 11.13 C ATOM 0 HA PRO A 81 1.020 -8.670 -8.624 1.00 14.11 H new ATOM 0 HB2 PRO A 81 -1.075 -10.212 -7.743 1.00 23.54 H new ATOM 0 HB3 PRO A 81 0.450 -10.331 -6.887 1.00 23.54 H new ATOM 0 HG2 PRO A 81 -1.982 -8.664 -6.181 1.00 22.02 H new ATOM 0 HG3 PRO A 81 -1.057 -9.731 -5.143 1.00 22.02 H new ATOM 0 HD2 PRO A 81 -0.645 -7.056 -5.174 1.00 11.13 H new ATOM 0 HD3 PRO A 81 0.656 -8.187 -4.856 1.00 11.13 H new ATOM 1329 N GLU A 82 -0.989 -8.344 -10.077 1.00 53.12 N ATOM 1330 CA GLU A 82 -2.094 -8.074 -11.019 1.00 3.23 C ATOM 1331 C GLU A 82 -2.346 -6.578 -11.261 1.00 14.10 C ATOM 1332 O GLU A 82 -3.417 -6.183 -11.730 1.00 23.05 O ATOM 1333 CB GLU A 82 -3.356 -8.768 -10.519 1.00 63.22 C ATOM 1334 CG GLU A 82 -3.177 -10.267 -10.376 1.00 10.30 C ATOM 1335 CD GLU A 82 -4.353 -10.943 -9.755 1.00 1.41 C ATOM 1336 OE1 GLU A 82 -4.420 -11.010 -8.510 1.00 54.22 O ATOM 1337 OE2 GLU A 82 -5.238 -11.425 -10.488 1.00 53.30 O ATOM 0 H GLU A 82 -0.251 -8.921 -10.480 1.00 53.12 H new ATOM 0 HA GLU A 82 -1.802 -8.477 -11.989 1.00 3.23 H new ATOM 0 HB2 GLU A 82 -3.641 -8.346 -9.555 1.00 63.22 H new ATOM 0 HB3 GLU A 82 -4.175 -8.567 -11.210 1.00 63.22 H new ATOM 0 HG2 GLU A 82 -2.995 -10.700 -11.360 1.00 10.30 H new ATOM 0 HG3 GLU A 82 -2.292 -10.465 -9.772 1.00 10.30 H new ATOM 1344 N ALA A 83 -1.339 -5.770 -11.009 1.00 41.21 N ATOM 1345 CA ALA A 83 -1.419 -4.331 -11.175 1.00 65.12 C ATOM 1346 C ALA A 83 -1.414 -3.959 -12.650 1.00 23.00 C ATOM 1347 O ALA A 83 -1.734 -2.834 -13.025 1.00 42.44 O ATOM 1348 CB ALA A 83 -0.293 -3.651 -10.436 1.00 43.22 C ATOM 0 H ALA A 83 -0.430 -6.095 -10.679 1.00 41.21 H new ATOM 0 HA ALA A 83 -2.360 -3.984 -10.748 1.00 65.12 H new ATOM 0 HB1 ALA A 83 -0.368 -2.572 -10.571 1.00 43.22 H new ATOM 0 HB2 ALA A 83 -0.358 -3.889 -9.374 1.00 43.22 H new ATOM 0 HB3 ALA A 83 0.662 -4.000 -10.828 1.00 43.22 H new ATOM 1354 N LYS A 84 -1.006 -4.903 -13.480 1.00 54.33 N ATOM 1355 CA LYS A 84 -1.054 -4.746 -14.921 1.00 54.11 C ATOM 1356 C LYS A 84 -2.494 -4.704 -15.425 1.00 75.51 C ATOM 1357 O LYS A 84 -2.757 -4.298 -16.555 1.00 3.13 O ATOM 1358 CB LYS A 84 -0.285 -5.858 -15.593 1.00 31.15 C ATOM 1359 CG LYS A 84 1.176 -5.842 -15.233 1.00 41.51 C ATOM 1360 CD LYS A 84 1.918 -6.959 -15.904 1.00 32.12 C ATOM 1361 CE LYS A 84 3.385 -6.944 -15.522 1.00 71.25 C ATOM 1362 NZ LYS A 84 4.121 -8.093 -16.086 1.00 2.50 N ATOM 0 H LYS A 84 -0.632 -5.801 -13.172 1.00 54.33 H new ATOM 0 HA LYS A 84 -0.587 -3.794 -15.175 1.00 54.11 H new ATOM 0 HB2 LYS A 84 -0.716 -6.818 -15.309 1.00 31.15 H new ATOM 0 HB3 LYS A 84 -0.391 -5.768 -16.674 1.00 31.15 H new ATOM 0 HG2 LYS A 84 1.613 -4.887 -15.524 1.00 41.51 H new ATOM 0 HG3 LYS A 84 1.287 -5.928 -14.152 1.00 41.51 H new ATOM 0 HD2 LYS A 84 1.475 -7.915 -15.623 1.00 32.12 H new ATOM 0 HD3 LYS A 84 1.819 -6.868 -16.986 1.00 32.12 H new ATOM 0 HE2 LYS A 84 3.840 -6.017 -15.871 1.00 71.25 H new ATOM 0 HE3 LYS A 84 3.476 -6.955 -14.436 1.00 71.25 H new ATOM 0 HZ1 LYS A 84 5.119 -8.041 -15.799 1.00 2.50 H new ATOM 0 HZ2 LYS A 84 3.705 -8.979 -15.733 1.00 2.50 H new ATOM 0 HZ3 LYS A 84 4.058 -8.070 -17.124 1.00 2.50 H new ATOM 1376 N ARG A 85 -3.418 -5.141 -14.592 1.00 51.13 N ATOM 1377 CA ARG A 85 -4.833 -5.086 -14.922 1.00 53.33 C ATOM 1378 C ARG A 85 -5.366 -3.684 -14.625 1.00 43.33 C ATOM 1379 O ARG A 85 -4.931 -3.043 -13.649 1.00 34.42 O ATOM 1380 CB ARG A 85 -5.604 -6.112 -14.102 1.00 74.55 C ATOM 1381 CG ARG A 85 -7.092 -6.163 -14.399 1.00 61.13 C ATOM 1382 CD ARG A 85 -7.805 -7.087 -13.428 1.00 50.42 C ATOM 1383 NE ARG A 85 -7.280 -8.453 -13.481 1.00 23.23 N ATOM 1384 CZ ARG A 85 -6.879 -9.165 -12.423 1.00 54.43 C ATOM 1385 NH1 ARG A 85 -6.954 -8.656 -11.183 1.00 61.14 N ATOM 1386 NH2 ARG A 85 -6.406 -10.383 -12.606 1.00 33.01 N ATOM 0 H ARG A 85 -3.215 -5.541 -13.676 1.00 51.13 H new ATOM 0 HA ARG A 85 -4.963 -5.313 -15.980 1.00 53.33 H new ATOM 0 HB2 ARG A 85 -5.176 -7.098 -14.282 1.00 74.55 H new ATOM 0 HB3 ARG A 85 -5.465 -5.892 -13.044 1.00 74.55 H new ATOM 0 HG2 ARG A 85 -7.515 -5.161 -14.332 1.00 61.13 H new ATOM 0 HG3 ARG A 85 -7.252 -6.508 -15.420 1.00 61.13 H new ATOM 0 HD2 ARG A 85 -7.701 -6.698 -12.415 1.00 50.42 H new ATOM 0 HD3 ARG A 85 -8.871 -7.100 -13.656 1.00 50.42 H new ATOM 0 HE ARG A 85 -7.215 -8.896 -14.397 1.00 23.23 H new ATOM 0 HH11 ARG A 85 -7.320 -7.715 -11.039 1.00 61.14 H new ATOM 0 HH12 ARG A 85 -6.645 -9.210 -10.385 1.00 61.14 H new ATOM 0 HH21 ARG A 85 -6.349 -10.772 -13.547 1.00 33.01 H new ATOM 0 HH22 ARG A 85 -6.097 -10.936 -11.806 1.00 33.01 H new TER 1400 ARG A 85