USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 0 X(o=-0.047,f=-0.052) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= -0.0475 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0461 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.3!) USER MOD Single : A 6 GLN : amide:sc= 0.593 K(o=0.59,f=-0.031) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0118) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.29) USER MOD Single : A 33 SER OG : rot -94:sc= 0.0819 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0.0975 (180deg=0.0635) USER MOD Single : A 47 ASN : amide:sc= 0.21 K(o=0.21,f=-6!) USER MOD Single : A 56 GLN : amide:sc=-0.00959 X(o=-0.0096,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 2.06 (180deg=1.93) USER MOD Single : A 61 SER OG : rot 8:sc= 0.902 USER MOD Single : A 64 SER OG : rot 111:sc= 0.0188 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.0592 K(o=0.059,f=-3.1!) USER MOD Single : A 68 ASN : amide:sc= 0.15 K(o=0.15,f=-4.6!) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 1.77 (180deg=1.01) USER MOD Single : A 70 SER OG : rot -173:sc= 1.28 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 166:sc= -6.13! (180deg=-6.74!) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.112) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.784 -1.183 -7.523 1.00 11.42 N ATOM 2 CA GLY A 1 13.941 -0.492 -6.545 1.00 32.40 C ATOM 3 C GLY A 1 14.736 0.441 -5.647 1.00 54.31 C ATOM 4 O GLY A 1 15.871 0.814 -5.956 1.00 15.53 O ATOM 0 H1 GLY A 1 14.370 -1.082 -8.472 1.00 11.42 H new ATOM 0 H2 GLY A 1 15.737 -0.767 -7.515 1.00 11.42 H new ATOM 0 H3 GLY A 1 14.845 -2.192 -7.278 1.00 11.42 H new ATOM 0 HA2 GLY A 1 13.175 0.079 -7.070 1.00 32.40 H new ATOM 0 HA3 GLY A 1 13.424 -1.229 -5.931 1.00 32.40 H new ATOM 8 N SER A 2 14.149 0.823 -4.522 1.00 1.41 N ATOM 9 CA SER A 2 14.798 1.420 -3.365 1.00 13.30 C ATOM 10 C SER A 2 15.332 0.304 -2.450 1.00 41.32 C ATOM 11 O SER A 2 15.333 -0.874 -2.817 1.00 61.15 O ATOM 12 CB SER A 2 13.760 2.290 -2.647 1.00 64.13 C ATOM 13 OG SER A 2 14.107 3.661 -2.645 1.00 62.23 O ATOM 0 H SER A 2 13.144 0.717 -4.385 1.00 1.41 H new ATOM 0 HA SER A 2 15.645 2.040 -3.657 1.00 13.30 H new ATOM 0 HB2 SER A 2 12.791 2.165 -3.129 1.00 64.13 H new ATOM 0 HB3 SER A 2 13.651 1.945 -1.619 1.00 64.13 H new ATOM 0 HG SER A 2 13.414 4.173 -2.178 1.00 62.23 H new ATOM 19 N GLU A 3 15.854 0.652 -1.271 1.00 41.55 N ATOM 20 CA GLU A 3 16.360 -0.334 -0.316 1.00 12.32 C ATOM 21 C GLU A 3 15.240 -1.048 0.457 1.00 12.53 C ATOM 22 O GLU A 3 15.451 -2.190 0.877 1.00 52.22 O ATOM 23 CB GLU A 3 17.397 0.273 0.647 1.00 33.04 C ATOM 24 CG GLU A 3 16.868 1.334 1.631 1.00 54.11 C ATOM 25 CD GLU A 3 16.940 2.778 1.130 1.00 2.51 C ATOM 26 OE1 GLU A 3 17.004 3.030 -0.096 1.00 4.32 O ATOM 27 OE2 GLU A 3 16.923 3.697 1.987 1.00 55.45 O ATOM 0 H GLU A 3 15.937 1.618 -0.954 1.00 41.55 H new ATOM 0 HA GLU A 3 16.865 -1.093 -0.914 1.00 12.32 H new ATOM 0 HB2 GLU A 3 17.845 -0.536 1.223 1.00 33.04 H new ATOM 0 HB3 GLU A 3 18.194 0.722 0.054 1.00 33.04 H new ATOM 0 HG2 GLU A 3 15.831 1.100 1.870 1.00 54.11 H new ATOM 0 HG3 GLU A 3 17.434 1.260 2.560 1.00 54.11 H new ATOM 34 N ASN A 4 14.064 -0.425 0.634 1.00 23.30 N ATOM 35 CA ASN A 4 12.953 -0.971 1.436 1.00 63.12 C ATOM 36 C ASN A 4 12.467 -2.336 0.941 1.00 21.10 C ATOM 37 O ASN A 4 11.854 -3.062 1.711 1.00 35.42 O ATOM 38 CB ASN A 4 11.737 -0.027 1.456 1.00 22.24 C ATOM 39 CG ASN A 4 11.077 0.011 0.095 1.00 31.04 C ATOM 40 OD1 ASN A 4 10.293 -0.862 -0.246 1.00 44.31 O ATOM 41 ND2 ASN A 4 11.428 0.981 -0.722 1.00 41.53 N ATOM 0 H ASN A 4 13.854 0.483 0.220 1.00 23.30 H new ATOM 0 HA ASN A 4 13.368 -1.079 2.438 1.00 63.12 H new ATOM 0 HB2 ASN A 4 11.020 -0.362 2.206 1.00 22.24 H new ATOM 0 HB3 ASN A 4 12.052 0.976 1.743 1.00 22.24 H new ATOM 0 HD21 ASN A 4 11.043 1.017 -1.666 1.00 41.53 H new ATOM 0 HD22 ASN A 4 12.085 1.697 -0.411 1.00 41.53 H new ATOM 48 N PHE A 5 12.739 -2.706 -0.310 1.00 75.24 N ATOM 49 CA PHE A 5 12.269 -3.939 -0.927 1.00 52.33 C ATOM 50 C PHE A 5 12.516 -5.166 -0.037 1.00 12.44 C ATOM 51 O PHE A 5 11.618 -5.986 0.162 1.00 35.11 O ATOM 52 CB PHE A 5 12.978 -4.064 -2.276 1.00 13.42 C ATOM 53 CG PHE A 5 12.557 -5.249 -3.112 1.00 71.03 C ATOM 54 CD1 PHE A 5 11.466 -5.143 -3.993 1.00 52.42 C ATOM 55 CD2 PHE A 5 13.292 -6.449 -3.049 1.00 73.44 C ATOM 56 CE1 PHE A 5 11.195 -6.197 -4.868 1.00 31.41 C ATOM 57 CE2 PHE A 5 12.990 -7.510 -3.921 1.00 21.01 C ATOM 58 CZ PHE A 5 11.949 -7.372 -4.852 1.00 62.11 C ATOM 0 H PHE A 5 13.309 -2.138 -0.937 1.00 75.24 H new ATOM 0 HA PHE A 5 11.188 -3.900 -1.065 1.00 52.33 H new ATOM 0 HB2 PHE A 5 12.800 -3.154 -2.848 1.00 13.42 H new ATOM 0 HB3 PHE A 5 14.052 -4.126 -2.100 1.00 13.42 H new ATOM 0 HD1 PHE A 5 10.846 -4.259 -3.993 1.00 52.42 H new ATOM 0 HD2 PHE A 5 14.090 -6.554 -2.329 1.00 73.44 H new ATOM 0 HE1 PHE A 5 10.383 -6.101 -5.574 1.00 31.41 H new ATOM 0 HE2 PHE A 5 13.557 -8.428 -3.874 1.00 21.01 H new ATOM 0 HZ PHE A 5 11.733 -8.168 -5.550 1.00 62.11 H new ATOM 68 N GLN A 6 13.729 -5.289 0.513 1.00 12.53 N ATOM 69 CA GLN A 6 14.073 -6.362 1.443 1.00 52.25 C ATOM 70 C GLN A 6 13.288 -6.241 2.757 1.00 0.13 C ATOM 71 O GLN A 6 12.838 -7.254 3.298 1.00 0.31 O ATOM 72 CB GLN A 6 15.592 -6.373 1.686 1.00 32.01 C ATOM 73 CG GLN A 6 16.063 -7.469 2.657 1.00 75.13 C ATOM 74 CD GLN A 6 15.729 -8.878 2.167 1.00 64.01 C ATOM 75 OE1 GLN A 6 16.518 -9.496 1.461 1.00 32.34 O ATOM 76 NE2 GLN A 6 14.556 -9.403 2.481 1.00 44.12 N ATOM 0 H GLN A 6 14.498 -4.646 0.324 1.00 12.53 H new ATOM 0 HA GLN A 6 13.788 -7.315 0.997 1.00 52.25 H new ATOM 0 HB2 GLN A 6 16.101 -6.505 0.731 1.00 32.01 H new ATOM 0 HB3 GLN A 6 15.894 -5.401 2.077 1.00 32.01 H new ATOM 0 HG2 GLN A 6 17.140 -7.384 2.798 1.00 75.13 H new ATOM 0 HG3 GLN A 6 15.600 -7.309 3.631 1.00 75.13 H new ATOM 0 HE21 GLN A 6 13.905 -8.882 3.069 1.00 44.12 H new ATOM 0 HE22 GLN A 6 14.302 -10.328 2.135 1.00 44.12 H new ATOM 85 N THR A 7 13.110 -5.026 3.272 1.00 14.31 N ATOM 86 CA THR A 7 12.346 -4.759 4.482 1.00 75.44 C ATOM 87 C THR A 7 10.893 -5.229 4.310 1.00 22.13 C ATOM 88 O THR A 7 10.305 -5.768 5.252 1.00 34.32 O ATOM 89 CB THR A 7 12.418 -3.249 4.809 1.00 20.10 C ATOM 90 OG1 THR A 7 13.720 -2.721 4.580 1.00 15.42 O ATOM 91 CG2 THR A 7 12.029 -2.990 6.262 1.00 24.11 C ATOM 0 H THR A 7 13.502 -4.185 2.849 1.00 14.31 H new ATOM 0 HA THR A 7 12.773 -5.315 5.317 1.00 75.44 H new ATOM 0 HB THR A 7 11.714 -2.749 4.144 1.00 20.10 H new ATOM 0 HG1 THR A 7 13.728 -1.765 4.795 1.00 15.42 H new ATOM 0 HG21 THR A 7 12.087 -1.921 6.469 1.00 24.11 H new ATOM 0 HG22 THR A 7 11.010 -3.338 6.434 1.00 24.11 H new ATOM 0 HG23 THR A 7 12.711 -3.525 6.922 1.00 24.11 H new ATOM 99 N LEU A 8 10.318 -5.053 3.116 1.00 52.25 N ATOM 100 CA LEU A 8 8.959 -5.468 2.799 1.00 14.23 C ATOM 101 C LEU A 8 8.858 -6.980 2.681 1.00 11.10 C ATOM 102 O LEU A 8 7.906 -7.556 3.202 1.00 21.10 O ATOM 103 CB LEU A 8 8.499 -4.870 1.471 1.00 0.33 C ATOM 104 CG LEU A 8 8.370 -3.338 1.437 1.00 32.14 C ATOM 105 CD1 LEU A 8 8.018 -2.960 0.001 1.00 35.22 C ATOM 106 CD2 LEU A 8 7.293 -2.830 2.405 1.00 34.31 C ATOM 0 H LEU A 8 10.798 -4.610 2.333 1.00 52.25 H new ATOM 0 HA LEU A 8 8.327 -5.113 3.613 1.00 14.23 H new ATOM 0 HB2 LEU A 8 9.201 -5.174 0.694 1.00 0.33 H new ATOM 0 HB3 LEU A 8 7.532 -5.303 1.214 1.00 0.33 H new ATOM 0 HG LEU A 8 9.306 -2.878 1.755 1.00 32.14 H new ATOM 0 HD11 LEU A 8 7.915 -1.878 -0.076 1.00 35.22 H new ATOM 0 HD12 LEU A 8 8.809 -3.297 -0.668 1.00 35.22 H new ATOM 0 HD13 LEU A 8 7.078 -3.435 -0.280 1.00 35.22 H new ATOM 0 HD21 LEU A 8 7.236 -1.743 2.348 1.00 34.31 H new ATOM 0 HD22 LEU A 8 6.328 -3.259 2.133 1.00 34.31 H new ATOM 0 HD23 LEU A 8 7.549 -3.127 3.422 1.00 34.31 H new ATOM 118 N LEU A 9 9.816 -7.619 2.001 1.00 33.10 N ATOM 119 CA LEU A 9 9.885 -9.077 1.865 1.00 44.52 C ATOM 120 C LEU A 9 9.897 -9.762 3.228 1.00 2.54 C ATOM 121 O LEU A 9 9.513 -10.923 3.347 1.00 43.23 O ATOM 122 CB LEU A 9 11.169 -9.465 1.106 1.00 62.01 C ATOM 123 CG LEU A 9 10.990 -9.532 -0.417 1.00 15.41 C ATOM 124 CD1 LEU A 9 12.361 -9.482 -1.104 1.00 31.22 C ATOM 125 CD2 LEU A 9 10.257 -10.818 -0.825 1.00 32.30 C ATOM 0 H LEU A 9 10.574 -7.132 1.524 1.00 33.10 H new ATOM 0 HA LEU A 9 9.002 -9.404 1.316 1.00 44.52 H new ATOM 0 HB2 LEU A 9 11.951 -8.742 1.339 1.00 62.01 H new ATOM 0 HB3 LEU A 9 11.514 -10.435 1.465 1.00 62.01 H new ATOM 0 HG LEU A 9 10.391 -8.677 -0.730 1.00 15.41 H new ATOM 0 HD11 LEU A 9 12.228 -9.530 -2.185 1.00 31.22 H new ATOM 0 HD12 LEU A 9 12.866 -8.552 -0.841 1.00 31.22 H new ATOM 0 HD13 LEU A 9 12.964 -10.328 -0.775 1.00 31.22 H new ATOM 0 HD21 LEU A 9 10.142 -10.843 -1.909 1.00 32.30 H new ATOM 0 HD22 LEU A 9 10.834 -11.684 -0.501 1.00 32.30 H new ATOM 0 HD23 LEU A 9 9.274 -10.841 -0.355 1.00 32.30 H new ATOM 137 N ASP A 10 10.375 -9.068 4.256 1.00 11.23 N ATOM 138 CA ASP A 10 10.480 -9.595 5.611 1.00 31.50 C ATOM 139 C ASP A 10 9.169 -9.466 6.398 1.00 74.43 C ATOM 140 O ASP A 10 8.966 -10.139 7.408 1.00 41.15 O ATOM 141 CB ASP A 10 11.605 -8.841 6.322 1.00 33.41 C ATOM 142 CG ASP A 10 11.781 -9.327 7.758 1.00 12.12 C ATOM 143 OD1 ASP A 10 12.064 -10.529 7.967 1.00 71.31 O ATOM 144 OD2 ASP A 10 11.606 -8.495 8.683 1.00 21.44 O ATOM 0 H ASP A 10 10.706 -8.107 4.169 1.00 11.23 H new ATOM 0 HA ASP A 10 10.697 -10.662 5.556 1.00 31.50 H new ATOM 0 HB2 ASP A 10 12.538 -8.975 5.774 1.00 33.41 H new ATOM 0 HB3 ASP A 10 11.386 -7.773 6.322 1.00 33.41 H new ATOM 149 N ALA A 11 8.261 -8.609 5.937 1.00 55.11 N ATOM 150 CA ALA A 11 7.156 -8.055 6.712 1.00 55.42 C ATOM 151 C ALA A 11 5.863 -8.884 6.626 1.00 14.40 C ATOM 152 O ALA A 11 4.765 -8.364 6.859 1.00 3.13 O ATOM 153 CB ALA A 11 6.934 -6.625 6.218 1.00 73.22 C ATOM 0 H ALA A 11 8.276 -8.269 4.976 1.00 55.11 H new ATOM 0 HA ALA A 11 7.421 -8.074 7.769 1.00 55.42 H new ATOM 0 HB1 ALA A 11 6.113 -6.172 6.773 1.00 73.22 H new ATOM 0 HB2 ALA A 11 7.842 -6.042 6.372 1.00 73.22 H new ATOM 0 HB3 ALA A 11 6.689 -6.641 5.156 1.00 73.22 H new ATOM 159 N GLY A 12 5.965 -10.155 6.237 1.00 33.22 N ATOM 160 CA GLY A 12 4.804 -10.998 5.988 1.00 3.44 C ATOM 161 C GLY A 12 4.094 -10.644 4.686 1.00 22.41 C ATOM 162 O GLY A 12 2.894 -10.912 4.555 1.00 54.43 O ATOM 0 H GLY A 12 6.857 -10.626 6.087 1.00 33.22 H new ATOM 0 HA2 GLY A 12 5.117 -12.042 5.955 1.00 3.44 H new ATOM 0 HA3 GLY A 12 4.104 -10.901 6.818 1.00 3.44 H new ATOM 166 N LEU A 13 4.809 -10.028 3.740 1.00 55.31 N ATOM 167 CA LEU A 13 4.305 -9.647 2.430 1.00 71.42 C ATOM 168 C LEU A 13 4.993 -10.499 1.359 1.00 22.42 C ATOM 169 O LEU A 13 6.185 -10.787 1.488 1.00 54.13 O ATOM 170 CB LEU A 13 4.623 -8.172 2.155 1.00 53.12 C ATOM 171 CG LEU A 13 4.125 -7.174 3.214 1.00 31.34 C ATOM 172 CD1 LEU A 13 4.679 -5.769 2.944 1.00 42.02 C ATOM 173 CD2 LEU A 13 2.598 -7.125 3.213 1.00 60.33 C ATOM 0 H LEU A 13 5.788 -9.775 3.876 1.00 55.31 H new ATOM 0 HA LEU A 13 3.226 -9.801 2.406 1.00 71.42 H new ATOM 0 HB2 LEU A 13 5.703 -8.064 2.060 1.00 53.12 H new ATOM 0 HB3 LEU A 13 4.190 -7.899 1.193 1.00 53.12 H new ATOM 0 HG LEU A 13 4.479 -7.511 4.188 1.00 31.34 H new ATOM 0 HD11 LEU A 13 4.313 -5.081 3.706 1.00 42.02 H new ATOM 0 HD12 LEU A 13 5.768 -5.796 2.972 1.00 42.02 H new ATOM 0 HD13 LEU A 13 4.350 -5.431 1.961 1.00 42.02 H new ATOM 0 HD21 LEU A 13 2.256 -6.415 3.966 1.00 60.33 H new ATOM 0 HD22 LEU A 13 2.245 -6.810 2.231 1.00 60.33 H new ATOM 0 HD23 LEU A 13 2.202 -8.115 3.441 1.00 60.33 H new ATOM 185 N PRO A 14 4.297 -10.846 0.266 1.00 41.53 N ATOM 186 CA PRO A 14 4.885 -11.604 -0.827 1.00 33.21 C ATOM 187 C PRO A 14 5.826 -10.729 -1.661 1.00 1.43 C ATOM 188 O PRO A 14 5.732 -9.494 -1.653 1.00 0.51 O ATOM 189 CB PRO A 14 3.694 -12.076 -1.662 1.00 61.32 C ATOM 190 CG PRO A 14 2.667 -10.975 -1.448 1.00 34.14 C ATOM 191 CD PRO A 14 2.912 -10.510 -0.019 1.00 62.13 C ATOM 0 HA PRO A 14 5.489 -12.437 -0.467 1.00 33.21 H new ATOM 0 HB2 PRO A 14 3.957 -12.184 -2.714 1.00 61.32 H new ATOM 0 HB3 PRO A 14 3.324 -13.044 -1.325 1.00 61.32 H new ATOM 0 HG2 PRO A 14 2.801 -10.161 -2.160 1.00 34.14 H new ATOM 0 HG3 PRO A 14 1.651 -11.347 -1.577 1.00 34.14 H new ATOM 0 HD2 PRO A 14 2.740 -9.438 0.080 1.00 62.13 H new ATOM 0 HD3 PRO A 14 2.236 -11.007 0.677 1.00 62.13 H new ATOM 199 N GLN A 15 6.640 -11.381 -2.501 1.00 15.42 N ATOM 200 CA GLN A 15 7.527 -10.716 -3.445 1.00 72.04 C ATOM 201 C GLN A 15 6.690 -9.871 -4.397 1.00 44.33 C ATOM 202 O GLN A 15 7.060 -8.758 -4.770 1.00 62.15 O ATOM 203 CB GLN A 15 8.325 -11.775 -4.232 1.00 21.23 C ATOM 204 CG GLN A 15 9.173 -11.211 -5.394 1.00 1.33 C ATOM 205 CD GLN A 15 9.840 -12.302 -6.231 1.00 73.45 C ATOM 206 OE1 GLN A 15 9.300 -13.400 -6.375 1.00 1.24 O ATOM 207 NE2 GLN A 15 10.942 -12.029 -6.905 1.00 20.22 N ATOM 0 H GLN A 15 6.697 -12.399 -2.539 1.00 15.42 H new ATOM 0 HA GLN A 15 8.228 -10.073 -2.913 1.00 72.04 H new ATOM 0 HB2 GLN A 15 8.984 -12.301 -3.541 1.00 21.23 H new ATOM 0 HB3 GLN A 15 7.629 -12.512 -4.632 1.00 21.23 H new ATOM 0 HG2 GLN A 15 8.538 -10.604 -6.039 1.00 1.33 H new ATOM 0 HG3 GLN A 15 9.940 -10.551 -4.989 1.00 1.33 H new ATOM 0 HE21 GLN A 15 11.397 -11.123 -6.793 1.00 20.22 H new ATOM 0 HE22 GLN A 15 11.338 -12.724 -7.538 1.00 20.22 H new ATOM 216 N LYS A 16 5.559 -10.438 -4.824 1.00 21.32 N ATOM 217 CA LYS A 16 4.733 -9.861 -5.865 1.00 4.44 C ATOM 218 C LYS A 16 4.272 -8.452 -5.504 1.00 74.44 C ATOM 219 O LYS A 16 4.290 -7.560 -6.347 1.00 22.41 O ATOM 220 CB LYS A 16 3.512 -10.760 -6.128 1.00 34.12 C ATOM 221 CG LYS A 16 3.787 -11.933 -7.074 1.00 71.42 C ATOM 222 CD LYS A 16 3.826 -11.464 -8.536 1.00 23.31 C ATOM 223 CE LYS A 16 3.788 -12.641 -9.512 1.00 31.23 C ATOM 224 NZ LYS A 16 5.003 -13.475 -9.454 1.00 60.22 N ATOM 0 H LYS A 16 5.196 -11.315 -4.450 1.00 21.32 H new ATOM 0 HA LYS A 16 5.339 -9.793 -6.769 1.00 4.44 H new ATOM 0 HB2 LYS A 16 3.152 -11.152 -5.177 1.00 34.12 H new ATOM 0 HB3 LYS A 16 2.710 -10.151 -6.546 1.00 34.12 H new ATOM 0 HG2 LYS A 16 4.736 -12.400 -6.813 1.00 71.42 H new ATOM 0 HG3 LYS A 16 3.014 -12.692 -6.952 1.00 71.42 H new ATOM 0 HD2 LYS A 16 2.980 -10.805 -8.729 1.00 23.31 H new ATOM 0 HD3 LYS A 16 4.730 -10.880 -8.706 1.00 23.31 H new ATOM 0 HE2 LYS A 16 2.918 -13.260 -9.293 1.00 31.23 H new ATOM 0 HE3 LYS A 16 3.662 -12.262 -10.526 1.00 31.23 H new ATOM 0 HZ1 LYS A 16 4.921 -14.256 -10.136 1.00 60.22 H new ATOM 0 HZ2 LYS A 16 5.834 -12.895 -9.690 1.00 60.22 H new ATOM 0 HZ3 LYS A 16 5.112 -13.863 -8.495 1.00 60.22 H new ATOM 238 N VAL A 17 3.828 -8.278 -4.261 1.00 64.35 N ATOM 239 CA VAL A 17 3.379 -6.999 -3.745 1.00 14.43 C ATOM 240 C VAL A 17 4.611 -6.109 -3.583 1.00 74.25 C ATOM 241 O VAL A 17 4.611 -4.992 -4.097 1.00 32.33 O ATOM 242 CB VAL A 17 2.582 -7.234 -2.444 1.00 53.25 C ATOM 243 CG1 VAL A 17 2.107 -5.942 -1.769 1.00 0.44 C ATOM 244 CG2 VAL A 17 1.320 -8.058 -2.757 1.00 12.24 C ATOM 0 H VAL A 17 3.772 -9.035 -3.580 1.00 64.35 H new ATOM 0 HA VAL A 17 2.696 -6.484 -4.421 1.00 14.43 H new ATOM 0 HB VAL A 17 3.266 -7.747 -1.768 1.00 53.25 H new ATOM 0 HG11 VAL A 17 1.555 -6.187 -0.862 1.00 0.44 H new ATOM 0 HG12 VAL A 17 2.970 -5.327 -1.514 1.00 0.44 H new ATOM 0 HG13 VAL A 17 1.458 -5.392 -2.451 1.00 0.44 H new ATOM 0 HG21 VAL A 17 0.757 -8.224 -1.839 1.00 12.24 H new ATOM 0 HG22 VAL A 17 0.699 -7.516 -3.470 1.00 12.24 H new ATOM 0 HG23 VAL A 17 1.609 -9.018 -3.184 1.00 12.24 H new ATOM 254 N ALA A 18 5.677 -6.612 -2.947 1.00 72.25 N ATOM 255 CA ALA A 18 6.883 -5.831 -2.660 1.00 62.03 C ATOM 256 C ALA A 18 7.482 -5.167 -3.908 1.00 20.14 C ATOM 257 O ALA A 18 7.848 -3.999 -3.852 1.00 11.20 O ATOM 258 CB ALA A 18 7.903 -6.706 -1.928 1.00 21.42 C ATOM 0 H ALA A 18 5.725 -7.576 -2.617 1.00 72.25 H new ATOM 0 HA ALA A 18 6.596 -5.005 -2.009 1.00 62.03 H new ATOM 0 HB1 ALA A 18 8.798 -6.122 -1.716 1.00 21.42 H new ATOM 0 HB2 ALA A 18 7.472 -7.062 -0.992 1.00 21.42 H new ATOM 0 HB3 ALA A 18 8.166 -7.559 -2.553 1.00 21.42 H new ATOM 264 N GLU A 19 7.529 -5.867 -5.040 1.00 43.42 N ATOM 265 CA GLU A 19 7.930 -5.339 -6.347 1.00 1.50 C ATOM 266 C GLU A 19 7.212 -4.049 -6.740 1.00 11.44 C ATOM 267 O GLU A 19 7.842 -3.137 -7.281 1.00 71.04 O ATOM 268 CB GLU A 19 7.719 -6.451 -7.390 1.00 35.21 C ATOM 269 CG GLU A 19 8.861 -7.486 -7.404 1.00 2.11 C ATOM 270 CD GLU A 19 10.065 -7.069 -8.261 1.00 14.31 C ATOM 271 OE1 GLU A 19 9.874 -6.363 -9.278 1.00 75.14 O ATOM 272 OE2 GLU A 19 11.204 -7.471 -7.930 1.00 2.52 O ATOM 0 H GLU A 19 7.280 -6.855 -5.076 1.00 43.42 H new ATOM 0 HA GLU A 19 8.981 -5.055 -6.296 1.00 1.50 H new ATOM 0 HB2 GLU A 19 6.777 -6.960 -7.185 1.00 35.21 H new ATOM 0 HB3 GLU A 19 7.630 -6.002 -8.379 1.00 35.21 H new ATOM 0 HG2 GLU A 19 9.197 -7.657 -6.381 1.00 2.11 H new ATOM 0 HG3 GLU A 19 8.474 -8.435 -7.775 1.00 2.11 H new ATOM 279 N LYS A 20 5.911 -3.950 -6.476 1.00 51.24 N ATOM 280 CA LYS A 20 5.142 -2.739 -6.770 1.00 54.43 C ATOM 281 C LYS A 20 5.108 -1.777 -5.586 1.00 2.10 C ATOM 282 O LYS A 20 4.900 -0.586 -5.804 1.00 74.21 O ATOM 283 CB LYS A 20 3.711 -3.102 -7.195 1.00 40.15 C ATOM 284 CG LYS A 20 3.594 -3.443 -8.688 1.00 15.51 C ATOM 285 CD LYS A 20 4.329 -4.728 -9.122 1.00 71.05 C ATOM 286 CE LYS A 20 5.594 -4.419 -9.929 1.00 61.14 C ATOM 287 NZ LYS A 20 5.280 -3.920 -11.286 1.00 1.51 N ATOM 0 H LYS A 20 5.362 -4.700 -6.055 1.00 51.24 H new ATOM 0 HA LYS A 20 5.645 -2.231 -7.592 1.00 54.43 H new ATOM 0 HB2 LYS A 20 3.368 -3.953 -6.606 1.00 40.15 H new ATOM 0 HB3 LYS A 20 3.048 -2.268 -6.966 1.00 40.15 H new ATOM 0 HG2 LYS A 20 2.538 -3.543 -8.941 1.00 15.51 H new ATOM 0 HG3 LYS A 20 3.983 -2.606 -9.268 1.00 15.51 H new ATOM 0 HD2 LYS A 20 4.595 -5.310 -8.239 1.00 71.05 H new ATOM 0 HD3 LYS A 20 3.659 -5.345 -9.720 1.00 71.05 H new ATOM 0 HE2 LYS A 20 6.189 -3.676 -9.399 1.00 61.14 H new ATOM 0 HE3 LYS A 20 6.203 -5.319 -10.006 1.00 61.14 H new ATOM 0 HZ1 LYS A 20 6.154 -3.869 -11.848 1.00 1.51 H new ATOM 0 HZ2 LYS A 20 4.609 -4.567 -11.747 1.00 1.51 H new ATOM 0 HZ3 LYS A 20 4.856 -2.973 -11.218 1.00 1.51 H new ATOM 301 N LEU A 21 5.289 -2.260 -4.356 1.00 53.35 N ATOM 302 CA LEU A 21 5.217 -1.445 -3.150 1.00 0.33 C ATOM 303 C LEU A 21 6.507 -0.653 -2.944 1.00 34.31 C ATOM 304 O LEU A 21 6.458 0.492 -2.515 1.00 44.44 O ATOM 305 CB LEU A 21 4.911 -2.330 -1.943 1.00 2.33 C ATOM 306 CG LEU A 21 4.643 -1.571 -0.627 1.00 42.54 C ATOM 307 CD1 LEU A 21 3.724 -0.350 -0.762 1.00 73.22 C ATOM 308 CD2 LEU A 21 4.037 -2.542 0.390 1.00 71.04 C ATOM 0 H LEU A 21 5.492 -3.242 -4.171 1.00 53.35 H new ATOM 0 HA LEU A 21 4.409 -0.722 -3.264 1.00 0.33 H new ATOM 0 HB2 LEU A 21 4.041 -2.944 -2.174 1.00 2.33 H new ATOM 0 HB3 LEU A 21 5.749 -3.010 -1.788 1.00 2.33 H new ATOM 0 HG LEU A 21 5.608 -1.183 -0.302 1.00 42.54 H new ATOM 0 HD11 LEU A 21 3.595 0.118 0.214 1.00 73.22 H new ATOM 0 HD12 LEU A 21 4.170 0.367 -1.452 1.00 73.22 H new ATOM 0 HD13 LEU A 21 2.753 -0.666 -1.145 1.00 73.22 H new ATOM 0 HD21 LEU A 21 3.843 -2.016 1.325 1.00 71.04 H new ATOM 0 HD22 LEU A 21 3.102 -2.942 -0.002 1.00 71.04 H new ATOM 0 HD23 LEU A 21 4.734 -3.360 0.572 1.00 71.04 H new ATOM 320 N ASP A 22 7.654 -1.215 -3.311 1.00 11.41 N ATOM 321 CA ASP A 22 8.938 -0.514 -3.239 1.00 44.54 C ATOM 322 C ASP A 22 8.905 0.787 -4.051 1.00 35.04 C ATOM 323 O ASP A 22 9.314 1.852 -3.589 1.00 73.05 O ATOM 324 CB ASP A 22 10.042 -1.445 -3.738 1.00 61.21 C ATOM 325 CG ASP A 22 11.314 -0.653 -4.002 1.00 60.33 C ATOM 326 OD1 ASP A 22 12.067 -0.371 -3.047 1.00 31.32 O ATOM 327 OD2 ASP A 22 11.555 -0.305 -5.175 1.00 13.23 O ATOM 0 H ASP A 22 7.723 -2.168 -3.667 1.00 11.41 H new ATOM 0 HA ASP A 22 9.139 -0.240 -2.203 1.00 44.54 H new ATOM 0 HB2 ASP A 22 10.235 -2.222 -2.998 1.00 61.21 H new ATOM 0 HB3 ASP A 22 9.721 -1.947 -4.651 1.00 61.21 H new ATOM 332 N GLU A 23 8.287 0.705 -5.227 1.00 42.41 N ATOM 333 CA GLU A 23 8.062 1.772 -6.198 1.00 74.22 C ATOM 334 C GLU A 23 7.329 2.963 -5.594 1.00 40.54 C ATOM 335 O GLU A 23 7.414 4.092 -6.092 1.00 64.34 O ATOM 336 CB GLU A 23 7.159 1.187 -7.297 1.00 2.54 C ATOM 337 CG GLU A 23 7.774 1.236 -8.697 1.00 34.33 C ATOM 338 CD GLU A 23 7.356 2.490 -9.459 1.00 15.53 C ATOM 339 OE1 GLU A 23 6.136 2.779 -9.487 1.00 2.44 O ATOM 340 OE2 GLU A 23 8.231 3.198 -10.006 1.00 51.31 O ATOM 0 H GLU A 23 7.900 -0.181 -5.551 1.00 42.41 H new ATOM 0 HA GLU A 23 9.028 2.120 -6.565 1.00 74.22 H new ATOM 0 HB2 GLU A 23 6.926 0.151 -7.049 1.00 2.54 H new ATOM 0 HB3 GLU A 23 6.215 1.732 -7.306 1.00 2.54 H new ATOM 0 HG2 GLU A 23 8.861 1.205 -8.617 1.00 34.33 H new ATOM 0 HG3 GLU A 23 7.470 0.352 -9.258 1.00 34.33 H new ATOM 347 N ILE A 24 6.527 2.698 -4.567 1.00 71.03 N ATOM 348 CA ILE A 24 5.715 3.697 -3.920 1.00 22.11 C ATOM 349 C ILE A 24 6.650 4.614 -3.123 1.00 61.33 C ATOM 350 O ILE A 24 6.447 5.830 -3.100 1.00 34.41 O ATOM 351 CB ILE A 24 4.642 3.019 -3.046 1.00 33.21 C ATOM 352 CG1 ILE A 24 3.929 1.899 -3.825 1.00 15.51 C ATOM 353 CG2 ILE A 24 3.600 3.983 -2.462 1.00 15.41 C ATOM 354 CD1 ILE A 24 3.297 2.243 -5.172 1.00 62.12 C ATOM 0 H ILE A 24 6.429 1.767 -4.163 1.00 71.03 H new ATOM 0 HA ILE A 24 5.173 4.305 -4.645 1.00 22.11 H new ATOM 0 HB ILE A 24 5.187 2.603 -2.199 1.00 33.21 H new ATOM 0 HG12 ILE A 24 4.650 1.098 -3.991 1.00 15.51 H new ATOM 0 HG13 ILE A 24 3.146 1.495 -3.184 1.00 15.51 H new ATOM 0 HG21 ILE A 24 2.883 3.423 -1.861 1.00 15.41 H new ATOM 0 HG22 ILE A 24 4.099 4.723 -1.836 1.00 15.41 H new ATOM 0 HG23 ILE A 24 3.077 4.488 -3.274 1.00 15.41 H new ATOM 0 HD11 ILE A 24 2.835 1.351 -5.595 1.00 62.12 H new ATOM 0 HD12 ILE A 24 2.538 3.013 -5.032 1.00 62.12 H new ATOM 0 HD13 ILE A 24 4.066 2.611 -5.851 1.00 62.12 H new ATOM 366 N TYR A 25 7.703 4.055 -2.513 1.00 62.24 N ATOM 367 CA TYR A 25 8.636 4.774 -1.654 1.00 4.21 C ATOM 368 C TYR A 25 9.725 5.501 -2.451 1.00 54.21 C ATOM 369 O TYR A 25 10.447 6.338 -1.902 1.00 40.55 O ATOM 370 CB TYR A 25 9.221 3.795 -0.633 1.00 2.50 C ATOM 371 CG TYR A 25 8.156 3.071 0.175 1.00 62.14 C ATOM 372 CD1 TYR A 25 7.221 3.806 0.923 1.00 53.23 C ATOM 373 CD2 TYR A 25 8.054 1.670 0.135 1.00 75.02 C ATOM 374 CE1 TYR A 25 6.179 3.159 1.609 1.00 44.33 C ATOM 375 CE2 TYR A 25 7.041 1.009 0.847 1.00 11.51 C ATOM 376 CZ TYR A 25 6.092 1.752 1.582 1.00 55.52 C ATOM 377 OH TYR A 25 5.106 1.130 2.281 1.00 41.31 O ATOM 0 H TYR A 25 7.930 3.065 -2.609 1.00 62.24 H new ATOM 0 HA TYR A 25 8.096 5.560 -1.126 1.00 4.21 H new ATOM 0 HB2 TYR A 25 9.836 3.061 -1.153 1.00 2.50 H new ATOM 0 HB3 TYR A 25 9.878 4.337 0.047 1.00 2.50 H new ATOM 0 HD1 TYR A 25 7.304 4.882 0.971 1.00 53.23 H new ATOM 0 HD2 TYR A 25 8.760 1.098 -0.448 1.00 75.02 H new ATOM 0 HE1 TYR A 25 5.448 3.737 2.155 1.00 44.33 H new ATOM 0 HE2 TYR A 25 6.987 -0.070 0.833 1.00 11.51 H new ATOM 0 HH TYR A 25 5.181 0.160 2.160 1.00 41.31 H new ATOM 387 N VAL A 26 9.839 5.238 -3.752 1.00 61.33 N ATOM 388 CA VAL A 26 10.720 5.994 -4.633 1.00 2.51 C ATOM 389 C VAL A 26 10.117 7.384 -4.906 1.00 23.01 C ATOM 390 O VAL A 26 10.835 8.382 -4.884 1.00 13.30 O ATOM 391 CB VAL A 26 10.966 5.193 -5.932 1.00 61.14 C ATOM 392 CG1 VAL A 26 11.925 5.916 -6.889 1.00 41.14 C ATOM 393 CG2 VAL A 26 11.562 3.805 -5.635 1.00 63.02 C ATOM 0 H VAL A 26 9.322 4.495 -4.222 1.00 61.33 H new ATOM 0 HA VAL A 26 11.688 6.149 -4.155 1.00 2.51 H new ATOM 0 HB VAL A 26 9.988 5.093 -6.402 1.00 61.14 H new ATOM 0 HG11 VAL A 26 12.066 5.314 -7.786 1.00 41.14 H new ATOM 0 HG12 VAL A 26 11.504 6.883 -7.164 1.00 41.14 H new ATOM 0 HG13 VAL A 26 12.886 6.065 -6.397 1.00 41.14 H new ATOM 0 HG21 VAL A 26 11.722 3.270 -6.571 1.00 63.02 H new ATOM 0 HG22 VAL A 26 12.514 3.921 -5.116 1.00 63.02 H new ATOM 0 HG23 VAL A 26 10.873 3.240 -5.007 1.00 63.02 H new ATOM 403 N ALA A 27 8.807 7.471 -5.154 1.00 53.33 N ATOM 404 CA ALA A 27 8.222 8.416 -6.102 1.00 53.54 C ATOM 405 C ALA A 27 7.447 9.534 -5.399 1.00 21.33 C ATOM 406 O ALA A 27 6.374 9.936 -5.851 1.00 2.34 O ATOM 407 CB ALA A 27 7.343 7.627 -7.080 1.00 3.10 C ATOM 0 H ALA A 27 8.116 6.878 -4.694 1.00 53.33 H new ATOM 0 HA ALA A 27 9.016 8.921 -6.652 1.00 53.54 H new ATOM 0 HB1 ALA A 27 6.894 8.312 -7.799 1.00 3.10 H new ATOM 0 HB2 ALA A 27 7.953 6.895 -7.608 1.00 3.10 H new ATOM 0 HB3 ALA A 27 6.556 7.113 -6.528 1.00 3.10 H new ATOM 413 N GLY A 28 7.962 9.981 -4.257 1.00 52.24 N ATOM 414 CA GLY A 28 7.456 11.117 -3.503 1.00 74.34 C ATOM 415 C GLY A 28 6.029 10.967 -2.988 1.00 31.34 C ATOM 416 O GLY A 28 5.390 11.969 -2.658 1.00 64.02 O ATOM 0 H GLY A 28 8.772 9.544 -3.818 1.00 52.24 H new ATOM 0 HA2 GLY A 28 8.116 11.292 -2.653 1.00 74.34 H new ATOM 0 HA3 GLY A 28 7.507 12.004 -4.134 1.00 74.34 H new ATOM 420 N LEU A 29 5.507 9.743 -2.918 1.00 71.01 N ATOM 421 CA LEU A 29 4.150 9.463 -2.468 1.00 32.43 C ATOM 422 C LEU A 29 4.138 9.362 -0.949 1.00 61.03 C ATOM 423 O LEU A 29 3.531 10.200 -0.277 1.00 40.23 O ATOM 424 CB LEU A 29 3.622 8.172 -3.117 1.00 12.54 C ATOM 425 CG LEU A 29 3.519 8.224 -4.653 1.00 31.02 C ATOM 426 CD1 LEU A 29 2.657 7.048 -5.117 1.00 55.14 C ATOM 427 CD2 LEU A 29 2.964 9.542 -5.207 1.00 55.42 C ATOM 0 H LEU A 29 6.027 8.905 -3.178 1.00 71.01 H new ATOM 0 HA LEU A 29 3.489 10.275 -2.772 1.00 32.43 H new ATOM 0 HB2 LEU A 29 4.276 7.346 -2.837 1.00 12.54 H new ATOM 0 HB3 LEU A 29 2.637 7.951 -2.707 1.00 12.54 H new ATOM 0 HG LEU A 29 4.533 8.157 -5.046 1.00 31.02 H new ATOM 0 HD11 LEU A 29 2.571 7.066 -6.203 1.00 55.14 H new ATOM 0 HD12 LEU A 29 3.120 6.112 -4.805 1.00 55.14 H new ATOM 0 HD13 LEU A 29 1.665 7.127 -4.673 1.00 55.14 H new ATOM 0 HD21 LEU A 29 2.926 9.492 -6.295 1.00 55.42 H new ATOM 0 HD22 LEU A 29 1.960 9.707 -4.816 1.00 55.42 H new ATOM 0 HD23 LEU A 29 3.611 10.365 -4.904 1.00 55.42 H new ATOM 439 N VAL A 30 4.816 8.338 -0.427 1.00 73.33 N ATOM 440 CA VAL A 30 4.960 8.075 1.003 1.00 60.14 C ATOM 441 C VAL A 30 6.387 7.619 1.320 1.00 55.55 C ATOM 442 O VAL A 30 7.117 7.223 0.408 1.00 72.35 O ATOM 443 CB VAL A 30 3.920 7.033 1.472 1.00 63.35 C ATOM 444 CG1 VAL A 30 2.518 7.634 1.480 1.00 2.04 C ATOM 445 CG2 VAL A 30 3.873 5.772 0.603 1.00 74.23 C ATOM 0 H VAL A 30 5.294 7.649 -1.007 1.00 73.33 H new ATOM 0 HA VAL A 30 4.773 8.999 1.549 1.00 60.14 H new ATOM 0 HB VAL A 30 4.240 6.749 2.474 1.00 63.35 H new ATOM 0 HG11 VAL A 30 1.802 6.883 1.813 1.00 2.04 H new ATOM 0 HG12 VAL A 30 2.492 8.487 2.158 1.00 2.04 H new ATOM 0 HG13 VAL A 30 2.257 7.962 0.474 1.00 2.04 H new ATOM 0 HG21 VAL A 30 3.120 5.088 0.995 1.00 74.23 H new ATOM 0 HG22 VAL A 30 3.618 6.045 -0.421 1.00 74.23 H new ATOM 0 HG23 VAL A 30 4.848 5.284 0.616 1.00 74.23 H new ATOM 455 N ALA A 31 6.755 7.605 2.601 1.00 12.30 N ATOM 456 CA ALA A 31 7.829 6.789 3.160 1.00 13.32 C ATOM 457 C ALA A 31 7.209 5.569 3.841 1.00 15.42 C ATOM 458 O ALA A 31 6.025 5.606 4.176 1.00 51.41 O ATOM 459 CB ALA A 31 8.617 7.622 4.172 1.00 31.22 C ATOM 0 H ALA A 31 6.295 8.184 3.303 1.00 12.30 H new ATOM 0 HA ALA A 31 8.508 6.458 2.374 1.00 13.32 H new ATOM 0 HB1 ALA A 31 9.421 7.018 4.593 1.00 31.22 H new ATOM 0 HB2 ALA A 31 9.041 8.494 3.674 1.00 31.22 H new ATOM 0 HB3 ALA A 31 7.952 7.949 4.971 1.00 31.22 H new ATOM 465 N HIS A 32 7.989 4.519 4.118 1.00 54.32 N ATOM 466 CA HIS A 32 7.464 3.333 4.805 1.00 23.42 C ATOM 467 C HIS A 32 6.877 3.715 6.168 1.00 35.32 C ATOM 468 O HIS A 32 5.874 3.158 6.611 1.00 52.32 O ATOM 469 CB HIS A 32 8.543 2.242 4.949 1.00 51.12 C ATOM 470 CG HIS A 32 9.351 2.307 6.229 1.00 63.33 C ATOM 471 ND1 HIS A 32 9.018 1.708 7.431 1.00 3.40 N ATOM 472 CD2 HIS A 32 10.505 3.019 6.425 1.00 63.43 C ATOM 473 CE1 HIS A 32 9.938 2.078 8.336 1.00 72.53 C ATOM 474 NE2 HIS A 32 10.865 2.876 7.772 1.00 62.55 N ATOM 0 H HIS A 32 8.979 4.465 3.879 1.00 54.32 H new ATOM 0 HA HIS A 32 6.663 2.918 4.194 1.00 23.42 H new ATOM 0 HB2 HIS A 32 8.062 1.266 4.890 1.00 51.12 H new ATOM 0 HB3 HIS A 32 9.225 2.313 4.102 1.00 51.12 H new ATOM 0 HD2 HIS A 32 11.040 3.587 5.678 1.00 63.43 H new ATOM 0 HE1 HIS A 32 9.935 1.777 9.373 1.00 72.53 H new ATOM 0 HE2 HIS A 32 11.672 3.295 8.235 1.00 62.55 H new ATOM 482 N SER A 33 7.501 4.691 6.823 1.00 43.03 N ATOM 483 CA SER A 33 7.175 5.116 8.170 1.00 63.55 C ATOM 484 C SER A 33 5.981 6.076 8.204 1.00 33.23 C ATOM 485 O SER A 33 5.566 6.471 9.297 1.00 53.35 O ATOM 486 CB SER A 33 8.436 5.756 8.763 1.00 61.14 C ATOM 487 OG SER A 33 9.048 6.658 7.841 1.00 4.10 O ATOM 0 H SER A 33 8.270 5.220 6.413 1.00 43.03 H new ATOM 0 HA SER A 33 6.868 4.256 8.766 1.00 63.55 H new ATOM 0 HB2 SER A 33 8.179 6.289 9.678 1.00 61.14 H new ATOM 0 HB3 SER A 33 9.147 4.976 9.037 1.00 61.14 H new ATOM 0 HG SER A 33 9.744 6.188 7.337 1.00 4.10 H new ATOM 493 N ASP A 34 5.456 6.495 7.047 1.00 42.14 N ATOM 494 CA ASP A 34 4.461 7.569 6.961 1.00 63.41 C ATOM 495 C ASP A 34 3.044 7.074 7.232 1.00 62.11 C ATOM 496 O ASP A 34 2.150 7.888 7.462 1.00 23.32 O ATOM 497 CB ASP A 34 4.508 8.235 5.578 1.00 44.12 C ATOM 498 CG ASP A 34 4.749 9.728 5.711 1.00 61.14 C ATOM 499 OD1 ASP A 34 5.946 10.107 5.725 1.00 14.41 O ATOM 500 OD2 ASP A 34 3.773 10.505 5.744 1.00 55.03 O ATOM 0 H ASP A 34 5.710 6.098 6.142 1.00 42.14 H new ATOM 0 HA ASP A 34 4.717 8.294 7.734 1.00 63.41 H new ATOM 0 HB2 ASP A 34 5.300 7.785 4.979 1.00 44.12 H new ATOM 0 HB3 ASP A 34 3.570 8.058 5.051 1.00 44.12 H new ATOM 505 N LEU A 35 2.845 5.755 7.156 1.00 20.13 N ATOM 506 CA LEU A 35 1.575 5.072 7.306 1.00 14.22 C ATOM 507 C LEU A 35 1.339 4.688 8.776 1.00 24.10 C ATOM 508 O LEU A 35 2.139 5.022 9.650 1.00 32.44 O ATOM 509 CB LEU A 35 1.570 3.835 6.392 1.00 23.53 C ATOM 510 CG LEU A 35 1.715 4.049 4.872 1.00 54.33 C ATOM 511 CD1 LEU A 35 0.764 5.130 4.336 1.00 62.21 C ATOM 512 CD2 LEU A 35 3.142 4.334 4.399 1.00 71.43 C ATOM 0 H LEU A 35 3.613 5.108 6.978 1.00 20.13 H new ATOM 0 HA LEU A 35 0.759 5.733 7.013 1.00 14.22 H new ATOM 0 HB2 LEU A 35 2.380 3.180 6.714 1.00 23.53 H new ATOM 0 HB3 LEU A 35 0.637 3.298 6.565 1.00 23.53 H new ATOM 0 HG LEU A 35 1.433 3.084 4.451 1.00 54.33 H new ATOM 0 HD11 LEU A 35 0.907 5.240 3.261 1.00 62.21 H new ATOM 0 HD12 LEU A 35 -0.267 4.839 4.537 1.00 62.21 H new ATOM 0 HD13 LEU A 35 0.976 6.078 4.830 1.00 62.21 H new ATOM 0 HD21 LEU A 35 3.146 4.471 3.318 1.00 71.43 H new ATOM 0 HD22 LEU A 35 3.511 5.240 4.881 1.00 71.43 H new ATOM 0 HD23 LEU A 35 3.787 3.495 4.661 1.00 71.43 H new ATOM 524 N ASP A 36 0.253 3.965 9.055 1.00 72.52 N ATOM 525 CA ASP A 36 -0.168 3.557 10.397 1.00 23.44 C ATOM 526 C ASP A 36 -0.077 2.040 10.529 1.00 40.44 C ATOM 527 O ASP A 36 0.024 1.332 9.529 1.00 15.40 O ATOM 528 CB ASP A 36 -1.631 3.957 10.643 1.00 20.43 C ATOM 529 CG ASP A 36 -1.854 5.404 11.066 1.00 12.02 C ATOM 530 OD1 ASP A 36 -1.051 6.290 10.705 1.00 20.30 O ATOM 531 OD2 ASP A 36 -2.921 5.663 11.671 1.00 32.42 O ATOM 0 H ASP A 36 -0.380 3.636 8.327 1.00 72.52 H new ATOM 0 HA ASP A 36 0.484 4.048 11.119 1.00 23.44 H new ATOM 0 HB2 ASP A 36 -2.198 3.772 9.731 1.00 20.43 H new ATOM 0 HB3 ASP A 36 -2.043 3.304 11.412 1.00 20.43 H new ATOM 536 N GLU A 37 -0.245 1.528 11.750 1.00 35.11 N ATOM 537 CA GLU A 37 -0.522 0.116 12.039 1.00 60.51 C ATOM 538 C GLU A 37 -1.628 -0.418 11.116 1.00 53.24 C ATOM 539 O GLU A 37 -1.510 -1.494 10.533 1.00 72.41 O ATOM 540 CB GLU A 37 -0.938 0.004 13.518 1.00 52.45 C ATOM 541 CG GLU A 37 -1.241 -1.430 13.980 1.00 64.13 C ATOM 542 CD GLU A 37 0.034 -2.227 14.242 1.00 62.51 C ATOM 543 OE1 GLU A 37 0.593 -2.803 13.283 1.00 12.11 O ATOM 544 OE2 GLU A 37 0.464 -2.314 15.414 1.00 34.53 O ATOM 0 H GLU A 37 -0.191 2.101 12.592 1.00 35.11 H new ATOM 0 HA GLU A 37 0.368 -0.486 11.859 1.00 60.51 H new ATOM 0 HB2 GLU A 37 -0.142 0.414 14.140 1.00 52.45 H new ATOM 0 HB3 GLU A 37 -1.821 0.621 13.683 1.00 52.45 H new ATOM 0 HG2 GLU A 37 -1.842 -1.399 14.889 1.00 64.13 H new ATOM 0 HG3 GLU A 37 -1.836 -1.937 13.221 1.00 64.13 H new ATOM 551 N ARG A 38 -2.700 0.362 10.947 1.00 12.33 N ATOM 552 CA ARG A 38 -3.849 -0.034 10.144 1.00 13.23 C ATOM 553 C ARG A 38 -3.506 -0.205 8.664 1.00 1.10 C ATOM 554 O ARG A 38 -4.219 -0.930 7.966 1.00 55.11 O ATOM 555 CB ARG A 38 -5.000 0.966 10.343 1.00 42.31 C ATOM 556 CG ARG A 38 -5.473 0.983 11.806 1.00 55.44 C ATOM 557 CD ARG A 38 -6.862 1.612 11.938 1.00 62.24 C ATOM 558 NE ARG A 38 -7.312 1.614 13.336 1.00 40.12 N ATOM 559 CZ ARG A 38 -7.227 2.625 14.206 1.00 41.22 C ATOM 560 NH1 ARG A 38 -6.652 3.770 13.862 1.00 0.10 N ATOM 561 NH2 ARG A 38 -7.727 2.487 15.426 1.00 2.30 N ATOM 0 H ARG A 38 -2.791 1.287 11.367 1.00 12.33 H new ATOM 0 HA ARG A 38 -4.170 -1.016 10.492 1.00 13.23 H new ATOM 0 HB2 ARG A 38 -4.673 1.964 10.052 1.00 42.31 H new ATOM 0 HB3 ARG A 38 -5.833 0.701 9.692 1.00 42.31 H new ATOM 0 HG2 ARG A 38 -5.495 -0.035 12.194 1.00 55.44 H new ATOM 0 HG3 ARG A 38 -4.760 1.541 12.414 1.00 55.44 H new ATOM 0 HD2 ARG A 38 -6.839 2.634 11.559 1.00 62.24 H new ATOM 0 HD3 ARG A 38 -7.574 1.060 11.324 1.00 62.24 H new ATOM 0 HE ARG A 38 -7.735 0.752 13.680 1.00 40.12 H new ATOM 0 HH11 ARG A 38 -6.268 3.886 12.924 1.00 0.10 H new ATOM 0 HH12 ARG A 38 -6.594 4.534 14.535 1.00 0.10 H new ATOM 0 HH21 ARG A 38 -8.175 1.612 15.698 1.00 2.30 H new ATOM 0 HH22 ARG A 38 -7.664 3.256 16.093 1.00 2.30 H new ATOM 575 N ALA A 39 -2.437 0.424 8.167 1.00 15.40 N ATOM 576 CA ALA A 39 -1.935 0.172 6.824 1.00 0.24 C ATOM 577 C ALA A 39 -1.289 -1.206 6.762 1.00 1.23 C ATOM 578 O ALA A 39 -1.634 -2.002 5.890 1.00 24.53 O ATOM 579 CB ALA A 39 -0.933 1.248 6.414 1.00 24.20 C ATOM 0 H ALA A 39 -1.901 1.119 8.687 1.00 15.40 H new ATOM 0 HA ALA A 39 -2.772 0.202 6.126 1.00 0.24 H new ATOM 0 HB1 ALA A 39 -0.569 1.042 5.407 1.00 24.20 H new ATOM 0 HB2 ALA A 39 -1.419 2.223 6.432 1.00 24.20 H new ATOM 0 HB3 ALA A 39 -0.094 1.248 7.110 1.00 24.20 H new ATOM 585 N ILE A 40 -0.359 -1.454 7.688 1.00 64.14 N ATOM 586 CA ILE A 40 0.453 -2.660 7.758 1.00 54.31 C ATOM 587 C ILE A 40 -0.456 -3.882 7.743 1.00 54.33 C ATOM 588 O ILE A 40 -0.283 -4.764 6.906 1.00 53.34 O ATOM 589 CB ILE A 40 1.333 -2.619 9.031 1.00 41.45 C ATOM 590 CG1 ILE A 40 2.230 -1.367 9.143 1.00 1.40 C ATOM 591 CG2 ILE A 40 2.195 -3.874 9.151 1.00 62.41 C ATOM 592 CD1 ILE A 40 2.997 -0.963 7.881 1.00 43.21 C ATOM 0 H ILE A 40 -0.147 -0.792 8.435 1.00 64.14 H new ATOM 0 HA ILE A 40 1.115 -2.720 6.894 1.00 54.31 H new ATOM 0 HB ILE A 40 0.623 -2.573 9.857 1.00 41.45 H new ATOM 0 HG12 ILE A 40 1.607 -0.526 9.447 1.00 1.40 H new ATOM 0 HG13 ILE A 40 2.952 -1.534 9.942 1.00 1.40 H new ATOM 0 HG21 ILE A 40 2.801 -3.814 10.055 1.00 62.41 H new ATOM 0 HG22 ILE A 40 1.553 -4.753 9.202 1.00 62.41 H new ATOM 0 HG23 ILE A 40 2.848 -3.952 8.281 1.00 62.41 H new ATOM 0 HD11 ILE A 40 3.590 -0.071 8.085 1.00 43.21 H new ATOM 0 HD12 ILE A 40 3.657 -1.777 7.580 1.00 43.21 H new ATOM 0 HD13 ILE A 40 2.291 -0.753 7.078 1.00 43.21 H new ATOM 604 N GLU A 41 -1.426 -3.928 8.654 1.00 71.45 N ATOM 605 CA GLU A 41 -2.301 -5.077 8.790 1.00 71.23 C ATOM 606 C GLU A 41 -3.149 -5.282 7.537 1.00 44.15 C ATOM 607 O GLU A 41 -3.297 -6.415 7.082 1.00 40.24 O ATOM 608 CB GLU A 41 -3.201 -4.837 10.004 1.00 74.14 C ATOM 609 CG GLU A 41 -4.223 -5.958 10.216 1.00 55.11 C ATOM 610 CD GLU A 41 -3.630 -7.288 10.691 1.00 0.21 C ATOM 611 OE1 GLU A 41 -2.392 -7.482 10.691 1.00 12.00 O ATOM 612 OE2 GLU A 41 -4.431 -8.134 11.146 1.00 23.51 O ATOM 0 H GLU A 41 -1.622 -3.173 9.311 1.00 71.45 H new ATOM 0 HA GLU A 41 -1.703 -5.978 8.924 1.00 71.23 H new ATOM 0 HB2 GLU A 41 -2.582 -4.742 10.896 1.00 74.14 H new ATOM 0 HB3 GLU A 41 -3.727 -3.891 9.879 1.00 74.14 H new ATOM 0 HG2 GLU A 41 -4.961 -5.624 10.946 1.00 55.11 H new ATOM 0 HG3 GLU A 41 -4.755 -6.127 9.280 1.00 55.11 H new ATOM 619 N ALA A 42 -3.725 -4.205 6.990 1.00 14.03 N ATOM 620 CA ALA A 42 -4.617 -4.326 5.846 1.00 73.32 C ATOM 621 C ALA A 42 -3.867 -4.917 4.653 1.00 75.34 C ATOM 622 O ALA A 42 -4.418 -5.743 3.933 1.00 33.20 O ATOM 623 CB ALA A 42 -5.209 -2.973 5.487 1.00 74.14 C ATOM 0 H ALA A 42 -3.587 -3.251 7.322 1.00 14.03 H new ATOM 0 HA ALA A 42 -5.434 -4.997 6.110 1.00 73.32 H new ATOM 0 HB1 ALA A 42 -5.873 -3.082 4.630 1.00 74.14 H new ATOM 0 HB2 ALA A 42 -5.773 -2.586 6.336 1.00 74.14 H new ATOM 0 HB3 ALA A 42 -4.406 -2.279 5.238 1.00 74.14 H new ATOM 629 N LEU A 43 -2.603 -4.528 4.460 1.00 4.40 N ATOM 630 CA LEU A 43 -1.728 -5.108 3.457 1.00 40.23 C ATOM 631 C LEU A 43 -1.667 -6.629 3.564 1.00 24.33 C ATOM 632 O LEU A 43 -1.685 -7.306 2.534 1.00 40.44 O ATOM 633 CB LEU A 43 -0.322 -4.496 3.590 1.00 75.12 C ATOM 634 CG LEU A 43 -0.015 -3.521 2.457 1.00 52.35 C ATOM 635 CD1 LEU A 43 1.270 -2.755 2.770 1.00 32.40 C ATOM 636 CD2 LEU A 43 0.128 -4.223 1.100 1.00 55.23 C ATOM 0 H LEU A 43 -2.160 -3.790 5.008 1.00 4.40 H new ATOM 0 HA LEU A 43 -2.135 -4.876 2.473 1.00 40.23 H new ATOM 0 HB2 LEU A 43 -0.240 -3.979 4.546 1.00 75.12 H new ATOM 0 HB3 LEU A 43 0.422 -5.293 3.594 1.00 75.12 H new ATOM 0 HG LEU A 43 -0.859 -2.835 2.384 1.00 52.35 H new ATOM 0 HD11 LEU A 43 1.486 -2.060 1.959 1.00 32.40 H new ATOM 0 HD12 LEU A 43 1.145 -2.200 3.700 1.00 32.40 H new ATOM 0 HD13 LEU A 43 2.096 -3.458 2.875 1.00 32.40 H new ATOM 0 HD21 LEU A 43 0.346 -3.484 0.329 1.00 55.23 H new ATOM 0 HD22 LEU A 43 0.941 -4.947 1.149 1.00 55.23 H new ATOM 0 HD23 LEU A 43 -0.802 -4.738 0.857 1.00 55.23 H new ATOM 648 N LYS A 44 -1.595 -7.180 4.781 1.00 44.13 N ATOM 649 CA LYS A 44 -1.542 -8.619 4.997 1.00 72.54 C ATOM 650 C LYS A 44 -2.785 -9.285 4.405 1.00 33.43 C ATOM 651 O LYS A 44 -2.644 -10.242 3.644 1.00 13.10 O ATOM 652 CB LYS A 44 -1.414 -8.977 6.489 1.00 3.32 C ATOM 653 CG LYS A 44 -0.299 -8.288 7.302 1.00 74.42 C ATOM 654 CD LYS A 44 1.132 -8.809 7.065 1.00 43.35 C ATOM 655 CE LYS A 44 1.788 -9.251 8.384 1.00 24.40 C ATOM 656 NZ LYS A 44 2.509 -8.162 9.074 1.00 1.04 N ATOM 0 H LYS A 44 -1.572 -6.634 5.642 1.00 44.13 H new ATOM 0 HA LYS A 44 -0.651 -8.992 4.492 1.00 72.54 H new ATOM 0 HB2 LYS A 44 -2.366 -8.753 6.970 1.00 3.32 H new ATOM 0 HB3 LYS A 44 -1.265 -10.054 6.563 1.00 3.32 H new ATOM 0 HG2 LYS A 44 -0.318 -7.222 7.076 1.00 74.42 H new ATOM 0 HG3 LYS A 44 -0.532 -8.393 8.362 1.00 74.42 H new ATOM 0 HD2 LYS A 44 1.106 -9.648 6.370 1.00 43.35 H new ATOM 0 HD3 LYS A 44 1.734 -8.028 6.600 1.00 43.35 H new ATOM 0 HE2 LYS A 44 1.020 -9.646 9.049 1.00 24.40 H new ATOM 0 HE3 LYS A 44 2.483 -10.065 8.180 1.00 24.40 H new ATOM 0 HZ1 LYS A 44 2.751 -8.463 10.039 1.00 1.04 H new ATOM 0 HZ2 LYS A 44 3.380 -7.937 8.552 1.00 1.04 H new ATOM 0 HZ3 LYS A 44 1.904 -7.317 9.117 1.00 1.04 H new ATOM 670 N GLU A 45 -3.999 -8.871 4.782 1.00 34.42 N ATOM 671 CA GLU A 45 -5.211 -9.610 4.606 1.00 62.54 C ATOM 672 C GLU A 45 -5.769 -9.672 3.174 1.00 31.14 C ATOM 673 O GLU A 45 -6.793 -10.327 2.953 1.00 12.42 O ATOM 674 CB GLU A 45 -6.173 -9.095 5.666 1.00 24.53 C ATOM 675 CG GLU A 45 -6.605 -7.662 5.449 1.00 63.34 C ATOM 676 CD GLU A 45 -7.872 -7.242 6.213 1.00 34.53 C ATOM 677 OE1 GLU A 45 -8.921 -7.932 6.160 1.00 63.34 O ATOM 678 OE2 GLU A 45 -7.864 -6.151 6.835 1.00 73.31 O ATOM 0 H GLU A 45 -4.149 -7.970 5.236 1.00 34.42 H new ATOM 0 HA GLU A 45 -5.018 -10.673 4.751 1.00 62.54 H new ATOM 0 HB2 GLU A 45 -7.057 -9.733 5.683 1.00 24.53 H new ATOM 0 HB3 GLU A 45 -5.700 -9.179 6.645 1.00 24.53 H new ATOM 0 HG2 GLU A 45 -5.787 -7.004 5.742 1.00 63.34 H new ATOM 0 HG3 GLU A 45 -6.773 -7.507 4.383 1.00 63.34 H new ATOM 685 N PHE A 46 -5.125 -9.030 2.199 1.00 35.40 N ATOM 686 CA PHE A 46 -5.398 -9.212 0.786 1.00 40.35 C ATOM 687 C PHE A 46 -4.706 -10.469 0.271 1.00 34.21 C ATOM 688 O PHE A 46 -3.731 -10.953 0.848 1.00 44.23 O ATOM 689 CB PHE A 46 -4.901 -7.994 0.012 1.00 13.41 C ATOM 690 CG PHE A 46 -5.694 -6.735 0.276 1.00 74.33 C ATOM 691 CD1 PHE A 46 -7.037 -6.646 -0.139 1.00 51.11 C ATOM 692 CD2 PHE A 46 -5.100 -5.669 0.972 1.00 42.21 C ATOM 693 CE1 PHE A 46 -7.785 -5.496 0.163 1.00 33.54 C ATOM 694 CE2 PHE A 46 -5.853 -4.526 1.281 1.00 40.45 C ATOM 695 CZ PHE A 46 -7.196 -4.437 0.876 1.00 4.23 C ATOM 0 H PHE A 46 -4.383 -8.355 2.381 1.00 35.40 H new ATOM 0 HA PHE A 46 -6.473 -9.322 0.643 1.00 40.35 H new ATOM 0 HB2 PHE A 46 -3.857 -7.814 0.268 1.00 13.41 H new ATOM 0 HB3 PHE A 46 -4.934 -8.215 -1.055 1.00 13.41 H new ATOM 0 HD1 PHE A 46 -7.490 -7.459 -0.687 1.00 51.11 H new ATOM 0 HD2 PHE A 46 -4.063 -5.729 1.269 1.00 42.21 H new ATOM 0 HE1 PHE A 46 -8.815 -5.425 -0.153 1.00 33.54 H new ATOM 0 HE2 PHE A 46 -5.400 -3.714 1.831 1.00 40.45 H new ATOM 0 HZ PHE A 46 -7.775 -3.556 1.112 1.00 4.23 H new ATOM 705 N ASN A 47 -5.203 -10.977 -0.849 1.00 21.20 N ATOM 706 CA ASN A 47 -4.477 -11.884 -1.730 1.00 44.01 C ATOM 707 C ASN A 47 -3.452 -11.097 -2.533 1.00 1.33 C ATOM 708 O ASN A 47 -3.378 -9.870 -2.448 1.00 52.32 O ATOM 709 CB ASN A 47 -5.415 -12.612 -2.715 1.00 32.10 C ATOM 710 CG ASN A 47 -6.065 -11.698 -3.749 1.00 1.34 C ATOM 711 OD1 ASN A 47 -6.483 -10.594 -3.435 1.00 12.51 O ATOM 712 ND2 ASN A 47 -6.164 -12.110 -5.004 1.00 15.43 N ATOM 0 H ASN A 47 -6.145 -10.765 -1.179 1.00 21.20 H new ATOM 0 HA ASN A 47 -3.993 -12.631 -1.101 1.00 44.01 H new ATOM 0 HB2 ASN A 47 -4.849 -13.385 -3.234 1.00 32.10 H new ATOM 0 HB3 ASN A 47 -6.198 -13.116 -2.149 1.00 32.10 H new ATOM 0 HD21 ASN A 47 -6.589 -11.506 -5.707 1.00 15.43 H new ATOM 0 HD22 ASN A 47 -5.815 -13.032 -5.267 1.00 15.43 H new ATOM 719 N GLU A 48 -2.730 -11.823 -3.382 1.00 41.31 N ATOM 720 CA GLU A 48 -1.815 -11.334 -4.376 1.00 54.24 C ATOM 721 C GLU A 48 -2.425 -10.154 -5.141 1.00 55.32 C ATOM 722 O GLU A 48 -1.990 -9.012 -4.992 1.00 75.24 O ATOM 723 CB GLU A 48 -1.499 -12.540 -5.280 1.00 31.24 C ATOM 724 CG GLU A 48 -0.303 -12.238 -6.169 1.00 55.41 C ATOM 725 CD GLU A 48 -0.133 -13.189 -7.364 1.00 54.25 C ATOM 726 OE1 GLU A 48 -0.715 -14.300 -7.367 1.00 41.53 O ATOM 727 OE2 GLU A 48 0.603 -12.841 -8.317 1.00 54.24 O ATOM 0 H GLU A 48 -2.782 -12.842 -3.383 1.00 41.31 H new ATOM 0 HA GLU A 48 -0.896 -10.942 -3.939 1.00 54.24 H new ATOM 0 HB2 GLU A 48 -1.292 -13.417 -4.667 1.00 31.24 H new ATOM 0 HB3 GLU A 48 -2.367 -12.778 -5.895 1.00 31.24 H new ATOM 0 HG2 GLU A 48 -0.395 -11.219 -6.544 1.00 55.41 H new ATOM 0 HG3 GLU A 48 0.602 -12.274 -5.562 1.00 55.41 H new ATOM 734 N ASP A 49 -3.426 -10.430 -5.980 1.00 51.51 N ATOM 735 CA ASP A 49 -3.881 -9.454 -6.959 1.00 60.14 C ATOM 736 C ASP A 49 -4.710 -8.343 -6.319 1.00 75.05 C ATOM 737 O ASP A 49 -4.685 -7.209 -6.785 1.00 4.41 O ATOM 738 CB ASP A 49 -4.654 -10.150 -8.073 1.00 73.05 C ATOM 739 CG ASP A 49 -4.865 -9.201 -9.250 1.00 41.15 C ATOM 740 OD1 ASP A 49 -3.850 -8.742 -9.822 1.00 75.02 O ATOM 741 OD2 ASP A 49 -6.034 -8.972 -9.630 1.00 44.25 O ATOM 0 H ASP A 49 -3.931 -11.316 -5.998 1.00 51.51 H new ATOM 0 HA ASP A 49 -3.001 -8.977 -7.390 1.00 60.14 H new ATOM 0 HB2 ASP A 49 -4.109 -11.034 -8.404 1.00 73.05 H new ATOM 0 HB3 ASP A 49 -5.618 -10.492 -7.696 1.00 73.05 H new ATOM 746 N GLY A 50 -5.409 -8.626 -5.214 1.00 53.54 N ATOM 747 CA GLY A 50 -6.140 -7.609 -4.469 1.00 62.45 C ATOM 748 C GLY A 50 -5.173 -6.616 -3.836 1.00 43.35 C ATOM 749 O GLY A 50 -5.415 -5.409 -3.871 1.00 52.14 O ATOM 0 H GLY A 50 -5.480 -9.563 -4.817 1.00 53.54 H new ATOM 0 HA2 GLY A 50 -6.826 -7.085 -5.134 1.00 62.45 H new ATOM 0 HA3 GLY A 50 -6.745 -8.081 -3.695 1.00 62.45 H new ATOM 753 N ALA A 51 -4.048 -7.099 -3.299 1.00 75.13 N ATOM 754 CA ALA A 51 -2.985 -6.226 -2.837 1.00 40.24 C ATOM 755 C ALA A 51 -2.427 -5.401 -4.003 1.00 72.22 C ATOM 756 O ALA A 51 -2.315 -4.184 -3.860 1.00 53.25 O ATOM 757 CB ALA A 51 -1.892 -7.036 -2.142 1.00 64.45 C ATOM 0 H ALA A 51 -3.858 -8.094 -3.177 1.00 75.13 H new ATOM 0 HA ALA A 51 -3.392 -5.529 -2.105 1.00 40.24 H new ATOM 0 HB1 ALA A 51 -1.103 -6.365 -1.802 1.00 64.45 H new ATOM 0 HB2 ALA A 51 -2.316 -7.560 -1.286 1.00 64.45 H new ATOM 0 HB3 ALA A 51 -1.476 -7.761 -2.842 1.00 64.45 H new ATOM 763 N LEU A 52 -2.085 -6.015 -5.144 1.00 15.50 N ATOM 764 CA LEU A 52 -1.578 -5.282 -6.315 1.00 75.42 C ATOM 765 C LEU A 52 -2.565 -4.198 -6.764 1.00 41.31 C ATOM 766 O LEU A 52 -2.140 -3.102 -7.139 1.00 13.54 O ATOM 767 CB LEU A 52 -1.291 -6.236 -7.500 1.00 60.25 C ATOM 768 CG LEU A 52 0.122 -6.842 -7.617 1.00 63.04 C ATOM 769 CD1 LEU A 52 1.205 -5.769 -7.740 1.00 75.43 C ATOM 770 CD2 LEU A 52 0.506 -7.782 -6.479 1.00 42.21 C ATOM 0 H LEU A 52 -2.150 -7.023 -5.282 1.00 15.50 H new ATOM 0 HA LEU A 52 -0.645 -4.809 -6.010 1.00 75.42 H new ATOM 0 HB2 LEU A 52 -2.004 -7.059 -7.446 1.00 60.25 H new ATOM 0 HB3 LEU A 52 -1.499 -5.694 -8.423 1.00 60.25 H new ATOM 0 HG LEU A 52 0.068 -7.432 -8.532 1.00 63.04 H new ATOM 0 HD11 LEU A 52 2.182 -6.246 -7.820 1.00 75.43 H new ATOM 0 HD12 LEU A 52 1.021 -5.167 -8.630 1.00 75.43 H new ATOM 0 HD13 LEU A 52 1.185 -5.129 -6.858 1.00 75.43 H new ATOM 0 HD21 LEU A 52 1.515 -8.160 -6.644 1.00 42.21 H new ATOM 0 HD22 LEU A 52 0.472 -7.241 -5.533 1.00 42.21 H new ATOM 0 HD23 LEU A 52 -0.194 -8.617 -6.445 1.00 42.21 H new ATOM 782 N ALA A 53 -3.867 -4.487 -6.713 1.00 3.11 N ATOM 783 CA ALA A 53 -4.935 -3.567 -7.067 1.00 21.11 C ATOM 784 C ALA A 53 -4.888 -2.307 -6.196 1.00 60.22 C ATOM 785 O ALA A 53 -4.854 -1.204 -6.739 1.00 71.35 O ATOM 786 CB ALA A 53 -6.280 -4.294 -6.962 1.00 20.42 C ATOM 0 H ALA A 53 -4.212 -5.399 -6.414 1.00 3.11 H new ATOM 0 HA ALA A 53 -4.804 -3.234 -8.096 1.00 21.11 H new ATOM 0 HB1 ALA A 53 -7.086 -3.609 -7.226 1.00 20.42 H new ATOM 0 HB2 ALA A 53 -6.288 -5.144 -7.644 1.00 20.42 H new ATOM 0 HB3 ALA A 53 -6.424 -4.647 -5.941 1.00 20.42 H new ATOM 792 N VAL A 54 -4.814 -2.458 -4.867 1.00 14.30 N ATOM 793 CA VAL A 54 -4.669 -1.334 -3.935 1.00 64.23 C ATOM 794 C VAL A 54 -3.486 -0.454 -4.350 1.00 0.20 C ATOM 795 O VAL A 54 -3.572 0.775 -4.291 1.00 1.30 O ATOM 796 CB VAL A 54 -4.494 -1.856 -2.487 1.00 42.25 C ATOM 797 CG1 VAL A 54 -4.124 -0.756 -1.482 1.00 53.03 C ATOM 798 CG2 VAL A 54 -5.755 -2.533 -1.939 1.00 72.25 C ATOM 0 H VAL A 54 -4.853 -3.368 -4.407 1.00 14.30 H new ATOM 0 HA VAL A 54 -5.573 -0.726 -3.968 1.00 64.23 H new ATOM 0 HB VAL A 54 -3.679 -2.574 -2.578 1.00 42.25 H new ATOM 0 HG11 VAL A 54 -4.017 -1.192 -0.489 1.00 53.03 H new ATOM 0 HG12 VAL A 54 -3.182 -0.294 -1.779 1.00 53.03 H new ATOM 0 HG13 VAL A 54 -4.909 -0.000 -1.464 1.00 53.03 H new ATOM 0 HG21 VAL A 54 -5.570 -2.877 -0.922 1.00 72.25 H new ATOM 0 HG22 VAL A 54 -6.579 -1.820 -1.936 1.00 72.25 H new ATOM 0 HG23 VAL A 54 -6.014 -3.384 -2.569 1.00 72.25 H new ATOM 808 N LEU A 55 -2.371 -1.074 -4.744 1.00 20.41 N ATOM 809 CA LEU A 55 -1.118 -0.363 -4.938 1.00 13.43 C ATOM 810 C LEU A 55 -1.191 0.509 -6.176 1.00 55.21 C ATOM 811 O LEU A 55 -0.800 1.678 -6.128 1.00 54.41 O ATOM 812 CB LEU A 55 0.078 -1.322 -5.043 1.00 14.44 C ATOM 813 CG LEU A 55 0.415 -2.057 -3.738 1.00 0.52 C ATOM 814 CD1 LEU A 55 1.742 -2.789 -3.923 1.00 60.33 C ATOM 815 CD2 LEU A 55 0.492 -1.141 -2.511 1.00 14.51 C ATOM 0 H LEU A 55 -2.317 -2.075 -4.935 1.00 20.41 H new ATOM 0 HA LEU A 55 -0.964 0.265 -4.061 1.00 13.43 H new ATOM 0 HB2 LEU A 55 -0.130 -2.059 -5.818 1.00 14.44 H new ATOM 0 HB3 LEU A 55 0.953 -0.758 -5.365 1.00 14.44 H new ATOM 0 HG LEU A 55 -0.400 -2.752 -3.539 1.00 0.52 H new ATOM 0 HD11 LEU A 55 1.997 -3.317 -3.004 1.00 60.33 H new ATOM 0 HD12 LEU A 55 1.652 -3.505 -4.740 1.00 60.33 H new ATOM 0 HD13 LEU A 55 2.526 -2.068 -4.157 1.00 60.33 H new ATOM 0 HD21 LEU A 55 0.734 -1.734 -1.629 1.00 14.51 H new ATOM 0 HD22 LEU A 55 1.266 -0.389 -2.666 1.00 14.51 H new ATOM 0 HD23 LEU A 55 -0.469 -0.648 -2.364 1.00 14.51 H new ATOM 827 N GLN A 56 -1.710 -0.068 -7.257 1.00 4.23 N ATOM 828 CA GLN A 56 -2.004 0.614 -8.498 1.00 53.54 C ATOM 829 C GLN A 56 -2.898 1.816 -8.203 1.00 64.01 C ATOM 830 O GLN A 56 -2.516 2.948 -8.487 1.00 41.54 O ATOM 831 CB GLN A 56 -2.660 -0.408 -9.434 1.00 2.24 C ATOM 832 CG GLN A 56 -3.085 0.129 -10.804 1.00 44.54 C ATOM 833 CD GLN A 56 -3.641 -1.021 -11.636 1.00 42.14 C ATOM 834 OE1 GLN A 56 -3.103 -1.392 -12.674 1.00 21.44 O ATOM 835 NE2 GLN A 56 -4.705 -1.660 -11.187 1.00 35.20 N ATOM 0 H GLN A 56 -1.943 -1.061 -7.286 1.00 4.23 H new ATOM 0 HA GLN A 56 -1.109 1.002 -8.985 1.00 53.54 H new ATOM 0 HB2 GLN A 56 -1.965 -1.233 -9.587 1.00 2.24 H new ATOM 0 HB3 GLN A 56 -3.538 -0.819 -8.936 1.00 2.24 H new ATOM 0 HG2 GLN A 56 -3.839 0.907 -10.686 1.00 44.54 H new ATOM 0 HG3 GLN A 56 -2.234 0.584 -11.311 1.00 44.54 H new ATOM 0 HE21 GLN A 56 -5.156 -1.356 -10.324 1.00 35.20 H new ATOM 0 HE22 GLN A 56 -5.076 -2.458 -11.703 1.00 35.20 H new ATOM 844 N GLN A 57 -4.055 1.588 -7.575 1.00 60.43 N ATOM 845 CA GLN A 57 -5.080 2.627 -7.461 1.00 24.31 C ATOM 846 C GLN A 57 -4.684 3.762 -6.504 1.00 74.24 C ATOM 847 O GLN A 57 -5.416 4.741 -6.370 1.00 22.14 O ATOM 848 CB GLN A 57 -6.408 1.999 -7.035 1.00 0.21 C ATOM 849 CG GLN A 57 -7.602 2.695 -7.708 1.00 32.30 C ATOM 850 CD GLN A 57 -8.931 2.082 -7.270 1.00 35.32 C ATOM 851 OE1 GLN A 57 -9.611 1.412 -8.047 1.00 22.31 O ATOM 852 NE2 GLN A 57 -9.314 2.277 -6.019 1.00 22.01 N ATOM 0 H GLN A 57 -4.304 0.699 -7.141 1.00 60.43 H new ATOM 0 HA GLN A 57 -5.187 3.083 -8.445 1.00 24.31 H new ATOM 0 HB2 GLN A 57 -6.410 0.940 -7.293 1.00 0.21 H new ATOM 0 HB3 GLN A 57 -6.511 2.063 -5.952 1.00 0.21 H new ATOM 0 HG2 GLN A 57 -7.591 3.757 -7.461 1.00 32.30 H new ATOM 0 HG3 GLN A 57 -7.505 2.619 -8.791 1.00 32.30 H new ATOM 0 HE21 GLN A 57 -8.737 2.835 -5.390 1.00 22.01 H new ATOM 0 HE22 GLN A 57 -10.186 1.869 -5.683 1.00 22.01 H new ATOM 861 N PHE A 58 -3.562 3.612 -5.805 1.00 14.33 N ATOM 862 CA PHE A 58 -2.955 4.609 -4.937 1.00 74.15 C ATOM 863 C PHE A 58 -1.894 5.437 -5.678 1.00 24.34 C ATOM 864 O PHE A 58 -1.834 6.649 -5.478 1.00 51.15 O ATOM 865 CB PHE A 58 -2.368 3.872 -3.737 1.00 13.41 C ATOM 866 CG PHE A 58 -1.691 4.748 -2.710 1.00 53.52 C ATOM 867 CD1 PHE A 58 -2.468 5.426 -1.756 1.00 43.54 C ATOM 868 CD2 PHE A 58 -0.288 4.855 -2.678 1.00 12.34 C ATOM 869 CE1 PHE A 58 -1.834 6.144 -0.732 1.00 31.34 C ATOM 870 CE2 PHE A 58 0.343 5.524 -1.619 1.00 35.11 C ATOM 871 CZ PHE A 58 -0.433 6.141 -0.629 1.00 71.05 C ATOM 0 H PHE A 58 -3.026 2.745 -5.832 1.00 14.33 H new ATOM 0 HA PHE A 58 -3.705 5.326 -4.604 1.00 74.15 H new ATOM 0 HB2 PHE A 58 -3.167 3.316 -3.246 1.00 13.41 H new ATOM 0 HB3 PHE A 58 -1.646 3.140 -4.099 1.00 13.41 H new ATOM 0 HD1 PHE A 58 -3.546 5.394 -1.811 1.00 43.54 H new ATOM 0 HD2 PHE A 58 0.304 4.421 -3.470 1.00 12.34 H new ATOM 0 HE1 PHE A 58 -2.425 6.701 -0.020 1.00 31.34 H new ATOM 0 HE2 PHE A 58 1.421 5.563 -1.567 1.00 35.11 H new ATOM 0 HZ PHE A 58 0.047 6.615 0.215 1.00 71.05 H new ATOM 881 N LYS A 59 -1.078 4.835 -6.561 1.00 33.22 N ATOM 882 CA LYS A 59 -0.269 5.605 -7.521 1.00 22.34 C ATOM 883 C LYS A 59 -1.189 6.425 -8.424 1.00 62.34 C ATOM 884 O LYS A 59 -0.873 7.570 -8.751 1.00 73.41 O ATOM 885 CB LYS A 59 0.627 4.672 -8.360 1.00 35.44 C ATOM 886 CG LYS A 59 1.976 4.401 -7.674 1.00 51.52 C ATOM 887 CD LYS A 59 3.129 5.222 -8.279 1.00 44.53 C ATOM 888 CE LYS A 59 4.373 5.106 -7.382 1.00 75.25 C ATOM 889 NZ LYS A 59 5.630 5.052 -8.154 1.00 2.43 N ATOM 0 H LYS A 59 -0.962 3.824 -6.630 1.00 33.22 H new ATOM 0 HA LYS A 59 0.383 6.281 -6.968 1.00 22.34 H new ATOM 0 HB2 LYS A 59 0.110 3.728 -8.529 1.00 35.44 H new ATOM 0 HB3 LYS A 59 0.801 5.120 -9.339 1.00 35.44 H new ATOM 0 HG2 LYS A 59 1.891 4.631 -6.612 1.00 51.52 H new ATOM 0 HG3 LYS A 59 2.212 3.340 -7.753 1.00 51.52 H new ATOM 0 HD2 LYS A 59 3.357 4.862 -9.282 1.00 44.53 H new ATOM 0 HD3 LYS A 59 2.834 6.267 -8.374 1.00 44.53 H new ATOM 0 HE2 LYS A 59 4.406 5.957 -6.702 1.00 75.25 H new ATOM 0 HE3 LYS A 59 4.290 4.210 -6.767 1.00 75.25 H new ATOM 0 HZ1 LYS A 59 6.414 4.789 -7.523 1.00 2.43 H new ATOM 0 HZ2 LYS A 59 5.542 4.344 -8.911 1.00 2.43 H new ATOM 0 HZ3 LYS A 59 5.821 5.985 -8.572 1.00 2.43 H new ATOM 903 N ASP A 60 -2.352 5.880 -8.759 1.00 33.00 N ATOM 904 CA ASP A 60 -3.398 6.517 -9.544 1.00 1.40 C ATOM 905 C ASP A 60 -4.201 7.476 -8.633 1.00 60.41 C ATOM 906 O ASP A 60 -5.433 7.410 -8.590 1.00 24.00 O ATOM 907 CB ASP A 60 -4.309 5.436 -10.176 1.00 64.02 C ATOM 908 CG ASP A 60 -3.655 4.366 -11.072 1.00 54.41 C ATOM 909 OD1 ASP A 60 -2.423 4.350 -11.299 1.00 11.12 O ATOM 910 OD2 ASP A 60 -4.410 3.495 -11.574 1.00 4.42 O ATOM 0 H ASP A 60 -2.602 4.933 -8.475 1.00 33.00 H new ATOM 0 HA ASP A 60 -2.961 7.099 -10.355 1.00 1.40 H new ATOM 0 HB2 ASP A 60 -4.826 4.921 -9.366 1.00 64.02 H new ATOM 0 HB3 ASP A 60 -5.070 5.946 -10.767 1.00 64.02 H new ATOM 915 N SER A 61 -3.540 8.312 -7.821 1.00 74.42 N ATOM 916 CA SER A 61 -4.158 9.345 -6.979 1.00 61.15 C ATOM 917 C SER A 61 -3.187 10.502 -6.694 1.00 60.25 C ATOM 918 O SER A 61 -1.974 10.374 -6.901 1.00 21.33 O ATOM 919 CB SER A 61 -4.621 8.727 -5.656 1.00 52.24 C ATOM 920 OG SER A 61 -5.686 7.821 -5.867 1.00 21.04 O ATOM 0 H SER A 61 -2.524 8.287 -7.729 1.00 74.42 H new ATOM 0 HA SER A 61 -5.013 9.748 -7.521 1.00 61.15 H new ATOM 0 HB2 SER A 61 -3.788 8.210 -5.180 1.00 52.24 H new ATOM 0 HB3 SER A 61 -4.939 9.515 -4.973 1.00 52.24 H new ATOM 0 HG SER A 61 -5.817 7.689 -6.829 1.00 21.04 H new ATOM 926 N ASP A 62 -3.708 11.616 -6.169 1.00 4.11 N ATOM 927 CA ASP A 62 -2.976 12.792 -5.739 1.00 35.20 C ATOM 928 C ASP A 62 -2.845 12.688 -4.236 1.00 60.42 C ATOM 929 O ASP A 62 -3.816 12.637 -3.481 1.00 72.14 O ATOM 930 CB ASP A 62 -3.650 14.116 -6.103 1.00 33.01 C ATOM 931 CG ASP A 62 -2.697 15.265 -5.755 1.00 1.51 C ATOM 932 OD1 ASP A 62 -2.519 15.594 -4.559 1.00 54.55 O ATOM 933 OD2 ASP A 62 -2.087 15.808 -6.707 1.00 72.41 O ATOM 0 H ASP A 62 -4.713 11.718 -6.028 1.00 4.11 H new ATOM 0 HA ASP A 62 -2.015 12.808 -6.253 1.00 35.20 H new ATOM 0 HB2 ASP A 62 -3.894 14.136 -7.165 1.00 33.01 H new ATOM 0 HB3 ASP A 62 -4.588 14.225 -5.558 1.00 33.01 H new ATOM 938 N LEU A 63 -1.599 12.579 -3.831 1.00 3.34 N ATOM 939 CA LEU A 63 -1.141 12.491 -2.458 1.00 0.40 C ATOM 940 C LEU A 63 -0.324 13.735 -2.100 1.00 22.31 C ATOM 941 O LEU A 63 0.289 13.762 -1.031 1.00 34.21 O ATOM 942 CB LEU A 63 -0.340 11.190 -2.281 1.00 53.35 C ATOM 943 CG LEU A 63 -1.081 9.929 -2.774 1.00 0.20 C ATOM 944 CD1 LEU A 63 -0.166 8.729 -2.608 1.00 1.12 C ATOM 945 CD2 LEU A 63 -2.383 9.633 -2.027 1.00 4.23 C ATOM 0 H LEU A 63 -0.826 12.547 -4.495 1.00 3.34 H new ATOM 0 HA LEU A 63 -1.988 12.460 -1.773 1.00 0.40 H new ATOM 0 HB2 LEU A 63 0.603 11.279 -2.820 1.00 53.35 H new ATOM 0 HB3 LEU A 63 -0.094 11.066 -1.226 1.00 53.35 H new ATOM 0 HG LEU A 63 -1.344 10.118 -3.815 1.00 0.20 H new ATOM 0 HD11 LEU A 63 -0.678 7.831 -2.953 1.00 1.12 H new ATOM 0 HD12 LEU A 63 0.740 8.878 -3.195 1.00 1.12 H new ATOM 0 HD13 LEU A 63 0.098 8.615 -1.557 1.00 1.12 H new ATOM 0 HD21 LEU A 63 -2.840 8.731 -2.435 1.00 4.23 H new ATOM 0 HD22 LEU A 63 -2.169 9.484 -0.969 1.00 4.23 H new ATOM 0 HD23 LEU A 63 -3.069 10.472 -2.144 1.00 4.23 H new ATOM 957 N SER A 64 -0.306 14.743 -2.975 1.00 52.11 N ATOM 958 CA SER A 64 0.458 15.971 -2.875 1.00 75.24 C ATOM 959 C SER A 64 -0.203 16.876 -1.849 1.00 14.52 C ATOM 960 O SER A 64 0.412 17.214 -0.835 1.00 40.13 O ATOM 961 CB SER A 64 0.522 16.657 -4.253 1.00 1.11 C ATOM 962 OG SER A 64 0.855 15.743 -5.288 1.00 60.43 O ATOM 0 H SER A 64 -0.866 14.712 -3.827 1.00 52.11 H new ATOM 0 HA SER A 64 1.478 15.756 -2.556 1.00 75.24 H new ATOM 0 HB2 SER A 64 -0.441 17.119 -4.473 1.00 1.11 H new ATOM 0 HB3 SER A 64 1.261 17.458 -4.225 1.00 1.11 H new ATOM 0 HG SER A 64 0.076 15.605 -5.866 1.00 60.43 H new ATOM 968 N HIS A 65 -1.473 17.231 -2.069 1.00 41.35 N ATOM 969 CA HIS A 65 -2.202 18.121 -1.169 1.00 44.34 C ATOM 970 C HIS A 65 -2.698 17.426 0.100 1.00 51.14 C ATOM 971 O HIS A 65 -3.315 18.058 0.955 1.00 21.22 O ATOM 972 CB HIS A 65 -3.316 18.857 -1.938 1.00 75.35 C ATOM 973 CG HIS A 65 -2.822 20.141 -2.560 1.00 34.13 C ATOM 974 ND1 HIS A 65 -2.562 20.372 -3.893 1.00 14.13 N ATOM 975 CD2 HIS A 65 -2.518 21.289 -1.878 1.00 3.32 C ATOM 976 CE1 HIS A 65 -2.091 21.623 -4.007 1.00 31.21 C ATOM 977 NE2 HIS A 65 -2.039 22.225 -2.803 1.00 74.30 N ATOM 0 H HIS A 65 -2.018 16.911 -2.870 1.00 41.35 H new ATOM 0 HA HIS A 65 -1.500 18.871 -0.804 1.00 44.34 H new ATOM 0 HB2 HIS A 65 -3.710 18.205 -2.718 1.00 75.35 H new ATOM 0 HB3 HIS A 65 -4.140 19.077 -1.260 1.00 75.35 H new ATOM 0 HD2 HIS A 65 -2.628 21.445 -0.815 1.00 3.32 H new ATOM 0 HE1 HIS A 65 -1.794 22.085 -4.937 1.00 31.21 H new ATOM 0 HE2 HIS A 65 -1.716 23.172 -2.605 1.00 74.30 H new ATOM 985 N VAL A 66 -2.423 16.141 0.269 1.00 32.22 N ATOM 986 CA VAL A 66 -2.849 15.417 1.449 1.00 2.10 C ATOM 987 C VAL A 66 -1.855 15.658 2.595 1.00 15.03 C ATOM 988 O VAL A 66 -0.637 15.660 2.384 1.00 35.51 O ATOM 989 CB VAL A 66 -2.944 13.940 1.081 1.00 22.32 C ATOM 990 CG1 VAL A 66 -3.456 13.152 2.294 1.00 60.14 C ATOM 991 CG2 VAL A 66 -3.882 13.666 -0.109 1.00 23.14 C ATOM 0 H VAL A 66 -1.903 15.578 -0.404 1.00 32.22 H new ATOM 0 HA VAL A 66 -3.824 15.763 1.793 1.00 2.10 H new ATOM 0 HB VAL A 66 -1.943 13.625 0.787 1.00 22.32 H new ATOM 0 HG11 VAL A 66 -3.526 12.095 2.038 1.00 60.14 H new ATOM 0 HG12 VAL A 66 -2.765 13.278 3.128 1.00 60.14 H new ATOM 0 HG13 VAL A 66 -4.441 13.522 2.579 1.00 60.14 H new ATOM 0 HG21 VAL A 66 -3.903 12.596 -0.317 1.00 23.14 H new ATOM 0 HG22 VAL A 66 -4.888 14.008 0.134 1.00 23.14 H new ATOM 0 HG23 VAL A 66 -3.520 14.200 -0.988 1.00 23.14 H new ATOM 1001 N GLN A 67 -2.402 15.794 3.807 1.00 35.43 N ATOM 1002 CA GLN A 67 -1.665 15.987 5.050 1.00 1.41 C ATOM 1003 C GLN A 67 -1.059 14.658 5.521 1.00 24.44 C ATOM 1004 O GLN A 67 0.158 14.466 5.495 1.00 13.02 O ATOM 1005 CB GLN A 67 -2.560 16.592 6.164 1.00 13.02 C ATOM 1006 CG GLN A 67 -3.790 17.413 5.751 1.00 21.30 C ATOM 1007 CD GLN A 67 -4.995 16.511 5.495 1.00 20.30 C ATOM 1008 OE1 GLN A 67 -5.251 16.085 4.369 1.00 32.41 O ATOM 1009 NE2 GLN A 67 -5.743 16.165 6.522 1.00 34.54 N ATOM 0 H GLN A 67 -3.412 15.771 3.950 1.00 35.43 H new ATOM 0 HA GLN A 67 -0.863 16.697 4.849 1.00 1.41 H new ATOM 0 HB2 GLN A 67 -2.905 15.772 6.794 1.00 13.02 H new ATOM 0 HB3 GLN A 67 -1.930 17.228 6.786 1.00 13.02 H new ATOM 0 HG2 GLN A 67 -4.030 18.132 6.534 1.00 21.30 H new ATOM 0 HG3 GLN A 67 -3.563 17.985 4.852 1.00 21.30 H new ATOM 0 HE21 GLN A 67 -5.527 16.521 7.453 1.00 34.54 H new ATOM 0 HE22 GLN A 67 -6.539 15.541 6.386 1.00 34.54 H new ATOM 1018 N ASN A 68 -1.932 13.739 5.946 1.00 52.22 N ATOM 1019 CA ASN A 68 -1.648 12.551 6.736 1.00 73.45 C ATOM 1020 C ASN A 68 -1.876 11.339 5.854 1.00 61.53 C ATOM 1021 O ASN A 68 -3.003 10.915 5.598 1.00 63.51 O ATOM 1022 CB ASN A 68 -2.492 12.484 8.027 1.00 51.41 C ATOM 1023 CG ASN A 68 -3.997 12.677 7.888 1.00 35.33 C ATOM 1024 OD1 ASN A 68 -4.505 13.228 6.917 1.00 40.12 O ATOM 1025 ND2 ASN A 68 -4.741 12.277 8.899 1.00 54.41 N ATOM 0 H ASN A 68 -2.925 13.818 5.728 1.00 52.22 H new ATOM 0 HA ASN A 68 -0.611 12.581 7.071 1.00 73.45 H new ATOM 0 HB2 ASN A 68 -2.318 11.515 8.494 1.00 51.41 H new ATOM 0 HB3 ASN A 68 -2.117 13.241 8.715 1.00 51.41 H new ATOM 0 HD21 ASN A 68 -5.750 12.424 8.879 1.00 54.41 H new ATOM 0 HD22 ASN A 68 -4.308 11.820 9.701 1.00 54.41 H new ATOM 1032 N LYS A 69 -0.781 10.785 5.349 1.00 24.14 N ATOM 1033 CA LYS A 69 -0.772 9.827 4.252 1.00 72.51 C ATOM 1034 C LYS A 69 -1.549 8.558 4.570 1.00 61.53 C ATOM 1035 O LYS A 69 -2.189 7.981 3.684 1.00 24.53 O ATOM 1036 CB LYS A 69 0.695 9.537 3.897 1.00 15.22 C ATOM 1037 CG LYS A 69 1.489 10.802 3.508 1.00 44.05 C ATOM 1038 CD LYS A 69 0.780 11.634 2.436 1.00 55.11 C ATOM 1039 CE LYS A 69 1.629 12.813 1.963 1.00 61.42 C ATOM 1040 NZ LYS A 69 2.270 12.584 0.655 1.00 73.12 N ATOM 0 H LYS A 69 0.152 10.996 5.702 1.00 24.14 H new ATOM 0 HA LYS A 69 -1.287 10.256 3.392 1.00 72.51 H new ATOM 0 HB2 LYS A 69 1.180 9.059 4.748 1.00 15.22 H new ATOM 0 HB3 LYS A 69 0.728 8.827 3.071 1.00 15.22 H new ATOM 0 HG2 LYS A 69 1.645 11.416 4.395 1.00 44.05 H new ATOM 0 HG3 LYS A 69 2.474 10.511 3.144 1.00 44.05 H new ATOM 0 HD2 LYS A 69 0.540 10.997 1.585 1.00 55.11 H new ATOM 0 HD3 LYS A 69 -0.165 12.005 2.833 1.00 55.11 H new ATOM 0 HE2 LYS A 69 1.001 13.702 1.901 1.00 61.42 H new ATOM 0 HE3 LYS A 69 2.399 13.018 2.706 1.00 61.42 H new ATOM 0 HZ1 LYS A 69 3.141 13.149 0.591 1.00 73.12 H new ATOM 0 HZ2 LYS A 69 2.503 11.576 0.555 1.00 73.12 H new ATOM 0 HZ3 LYS A 69 1.618 12.866 -0.105 1.00 73.12 H new ATOM 1054 N SER A 70 -1.555 8.165 5.833 1.00 23.14 N ATOM 1055 CA SER A 70 -2.275 7.023 6.364 1.00 51.23 C ATOM 1056 C SER A 70 -3.752 7.183 6.041 1.00 43.12 C ATOM 1057 O SER A 70 -4.359 6.285 5.466 1.00 74.15 O ATOM 1058 CB SER A 70 -2.084 6.908 7.880 1.00 40.11 C ATOM 1059 OG SER A 70 -0.799 7.309 8.297 1.00 21.51 O ATOM 0 H SER A 70 -1.029 8.662 6.552 1.00 23.14 H new ATOM 0 HA SER A 70 -1.885 6.114 5.907 1.00 51.23 H new ATOM 0 HB2 SER A 70 -2.833 7.519 8.384 1.00 40.11 H new ATOM 0 HB3 SER A 70 -2.256 5.876 8.187 1.00 40.11 H new ATOM 0 HG SER A 70 -0.688 7.110 9.250 1.00 21.51 H new ATOM 1065 N ALA A 71 -4.307 8.361 6.334 1.00 1.00 N ATOM 1066 CA ALA A 71 -5.720 8.644 6.185 1.00 20.30 C ATOM 1067 C ALA A 71 -6.163 8.774 4.732 1.00 13.43 C ATOM 1068 O ALA A 71 -7.365 8.890 4.481 1.00 20.33 O ATOM 1069 CB ALA A 71 -6.062 9.911 6.974 1.00 14.01 C ATOM 0 H ALA A 71 -3.770 9.153 6.687 1.00 1.00 H new ATOM 0 HA ALA A 71 -6.269 7.791 6.583 1.00 20.30 H new ATOM 0 HB1 ALA A 71 -7.124 10.131 6.867 1.00 14.01 H new ATOM 0 HB2 ALA A 71 -5.828 9.758 8.027 1.00 14.01 H new ATOM 0 HB3 ALA A 71 -5.478 10.747 6.590 1.00 14.01 H new ATOM 1075 N PHE A 72 -5.227 8.735 3.780 1.00 13.34 N ATOM 1076 CA PHE A 72 -5.611 8.494 2.392 1.00 13.12 C ATOM 1077 C PHE A 72 -5.571 6.998 2.109 1.00 14.22 C ATOM 1078 O PHE A 72 -6.569 6.406 1.692 1.00 53.22 O ATOM 1079 CB PHE A 72 -4.711 9.266 1.432 1.00 54.24 C ATOM 1080 CG PHE A 72 -5.266 9.337 0.024 1.00 54.14 C ATOM 1081 CD1 PHE A 72 -5.162 8.235 -0.848 1.00 72.41 C ATOM 1082 CD2 PHE A 72 -5.916 10.508 -0.408 1.00 72.11 C ATOM 1083 CE1 PHE A 72 -5.696 8.307 -2.146 1.00 13.13 C ATOM 1084 CE2 PHE A 72 -6.439 10.582 -1.709 1.00 34.21 C ATOM 1085 CZ PHE A 72 -6.329 9.484 -2.576 1.00 14.31 C ATOM 0 H PHE A 72 -4.228 8.863 3.939 1.00 13.34 H new ATOM 0 HA PHE A 72 -6.628 8.854 2.235 1.00 13.12 H new ATOM 0 HB2 PHE A 72 -4.569 10.278 1.811 1.00 54.24 H new ATOM 0 HB3 PHE A 72 -3.729 8.794 1.406 1.00 54.24 H new ATOM 0 HD1 PHE A 72 -4.670 7.332 -0.518 1.00 72.41 H new ATOM 0 HD2 PHE A 72 -6.013 11.350 0.261 1.00 72.11 H new ATOM 0 HE1 PHE A 72 -5.620 7.459 -2.811 1.00 13.13 H new ATOM 0 HE2 PHE A 72 -6.927 11.486 -2.043 1.00 34.21 H new ATOM 0 HZ PHE A 72 -6.732 9.545 -3.576 1.00 14.31 H new ATOM 1095 N LEU A 73 -4.403 6.400 2.353 1.00 35.33 N ATOM 1096 CA LEU A 73 -4.005 5.067 1.899 1.00 32.12 C ATOM 1097 C LEU A 73 -4.929 4.030 2.494 1.00 34.50 C ATOM 1098 O LEU A 73 -5.499 3.188 1.796 1.00 0.43 O ATOM 1099 CB LEU A 73 -2.555 4.818 2.345 1.00 44.03 C ATOM 1100 CG LEU A 73 -1.993 3.386 2.156 1.00 1.40 C ATOM 1101 CD1 LEU A 73 -2.078 2.620 3.462 1.00 23.13 C ATOM 1102 CD2 LEU A 73 -2.436 2.609 0.905 1.00 52.32 C ATOM 0 H LEU A 73 -3.673 6.856 2.900 1.00 35.33 H new ATOM 0 HA LEU A 73 -4.070 4.999 0.813 1.00 32.12 H new ATOM 0 HB2 LEU A 73 -1.911 5.509 1.801 1.00 44.03 H new ATOM 0 HB3 LEU A 73 -2.477 5.075 3.401 1.00 44.03 H new ATOM 0 HG LEU A 73 -0.941 3.515 1.903 1.00 1.40 H new ATOM 0 HD11 LEU A 73 -1.681 1.615 3.321 1.00 23.13 H new ATOM 0 HD12 LEU A 73 -1.495 3.136 4.225 1.00 23.13 H new ATOM 0 HD13 LEU A 73 -3.119 2.558 3.780 1.00 23.13 H new ATOM 0 HD21 LEU A 73 -1.967 1.625 0.903 1.00 52.32 H new ATOM 0 HD22 LEU A 73 -3.520 2.494 0.913 1.00 52.32 H new ATOM 0 HD23 LEU A 73 -2.136 3.156 0.011 1.00 52.32 H new ATOM 1114 N CYS A 74 -5.081 4.126 3.809 1.00 55.31 N ATOM 1115 CA CYS A 74 -5.879 3.210 4.588 1.00 40.41 C ATOM 1116 C CYS A 74 -7.304 3.157 4.015 1.00 34.10 C ATOM 1117 O CYS A 74 -7.912 2.087 3.965 1.00 1.12 O ATOM 1118 CB CYS A 74 -5.832 3.658 6.061 1.00 43.11 C ATOM 1119 SG CYS A 74 -6.481 2.410 7.201 1.00 71.23 S ATOM 0 H CYS A 74 -4.642 4.859 4.367 1.00 55.31 H new ATOM 0 HA CYS A 74 -5.487 2.194 4.538 1.00 40.41 H new ATOM 0 HB2 CYS A 74 -4.802 3.889 6.332 1.00 43.11 H new ATOM 0 HB3 CYS A 74 -6.405 4.578 6.174 1.00 43.11 H new ATOM 0 HG CYS A 74 -6.408 2.856 8.420 1.00 71.23 H new ATOM 1125 N GLY A 75 -7.827 4.291 3.530 1.00 53.12 N ATOM 1126 CA GLY A 75 -9.146 4.380 2.919 1.00 34.14 C ATOM 1127 C GLY A 75 -9.250 3.580 1.622 1.00 64.55 C ATOM 1128 O GLY A 75 -10.254 2.894 1.422 1.00 73.14 O ATOM 0 H GLY A 75 -7.332 5.183 3.555 1.00 53.12 H new ATOM 0 HA2 GLY A 75 -9.894 4.019 3.625 1.00 34.14 H new ATOM 0 HA3 GLY A 75 -9.378 5.425 2.716 1.00 34.14 H new ATOM 1132 N VAL A 76 -8.234 3.620 0.748 1.00 54.22 N ATOM 1133 CA VAL A 76 -8.211 2.815 -0.480 1.00 53.35 C ATOM 1134 C VAL A 76 -8.265 1.335 -0.096 1.00 15.13 C ATOM 1135 O VAL A 76 -9.080 0.583 -0.632 1.00 43.23 O ATOM 1136 CB VAL A 76 -6.971 3.134 -1.358 1.00 12.22 C ATOM 1137 CG1 VAL A 76 -6.983 2.348 -2.675 1.00 23.41 C ATOM 1138 CG2 VAL A 76 -6.853 4.637 -1.661 1.00 21.24 C ATOM 0 H VAL A 76 -7.410 4.208 0.872 1.00 54.22 H new ATOM 0 HA VAL A 76 -9.081 3.064 -1.087 1.00 53.35 H new ATOM 0 HB VAL A 76 -6.103 2.825 -0.775 1.00 12.22 H new ATOM 0 HG11 VAL A 76 -6.098 2.602 -3.258 1.00 23.41 H new ATOM 0 HG12 VAL A 76 -6.983 1.279 -2.461 1.00 23.41 H new ATOM 0 HG13 VAL A 76 -7.877 2.604 -3.243 1.00 23.41 H new ATOM 0 HG21 VAL A 76 -5.972 4.816 -2.278 1.00 21.24 H new ATOM 0 HG22 VAL A 76 -7.743 4.972 -2.194 1.00 21.24 H new ATOM 0 HG23 VAL A 76 -6.760 5.190 -0.727 1.00 21.24 H new ATOM 1148 N MET A 77 -7.456 0.910 0.882 1.00 1.42 N ATOM 1149 CA MET A 77 -7.507 -0.471 1.357 1.00 35.20 C ATOM 1150 C MET A 77 -8.912 -0.797 1.868 1.00 73.43 C ATOM 1151 O MET A 77 -9.431 -1.874 1.587 1.00 35.50 O ATOM 1152 CB MET A 77 -6.475 -0.743 2.460 1.00 74.15 C ATOM 1153 CG MET A 77 -5.053 -0.308 2.091 1.00 1.41 C ATOM 1154 SD MET A 77 -3.751 -1.519 2.454 1.00 52.15 S ATOM 1155 CE MET A 77 -2.422 -0.421 3.011 1.00 22.41 C ATOM 0 H MET A 77 -6.767 1.497 1.353 1.00 1.42 H new ATOM 0 HA MET A 77 -7.262 -1.115 0.512 1.00 35.20 H new ATOM 0 HB2 MET A 77 -6.781 -0.223 3.368 1.00 74.15 H new ATOM 0 HB3 MET A 77 -6.472 -1.809 2.688 1.00 74.15 H new ATOM 0 HG2 MET A 77 -5.026 -0.079 1.026 1.00 1.41 H new ATOM 0 HG3 MET A 77 -4.825 0.616 2.622 1.00 1.41 H new ATOM 0 HE1 MET A 77 -1.646 -1.009 3.502 1.00 22.41 H new ATOM 0 HE2 MET A 77 -1.995 0.098 2.153 1.00 22.41 H new ATOM 0 HE3 MET A 77 -2.824 0.309 3.714 1.00 22.41 H new ATOM 1165 N LYS A 78 -9.554 0.137 2.577 1.00 61.31 N ATOM 1166 CA LYS A 78 -10.857 -0.092 3.187 1.00 13.24 C ATOM 1167 C LYS A 78 -11.888 -0.485 2.138 1.00 43.44 C ATOM 1168 O LYS A 78 -12.506 -1.540 2.288 1.00 43.15 O ATOM 1169 CB LYS A 78 -11.313 1.123 4.022 1.00 12.03 C ATOM 1170 CG LYS A 78 -11.823 0.706 5.412 1.00 11.33 C ATOM 1171 CD LYS A 78 -13.309 0.982 5.671 1.00 21.13 C ATOM 1172 CE LYS A 78 -13.814 0.257 6.931 1.00 24.13 C ATOM 1173 NZ LYS A 78 -12.922 0.405 8.104 1.00 35.50 N ATOM 0 H LYS A 78 -9.180 1.072 2.741 1.00 61.31 H new ATOM 0 HA LYS A 78 -10.761 -0.929 3.878 1.00 13.24 H new ATOM 0 HB2 LYS A 78 -10.481 1.819 4.134 1.00 12.03 H new ATOM 0 HB3 LYS A 78 -12.103 1.653 3.490 1.00 12.03 H new ATOM 0 HG2 LYS A 78 -11.639 -0.360 5.544 1.00 11.33 H new ATOM 0 HG3 LYS A 78 -11.236 1.227 6.168 1.00 11.33 H new ATOM 0 HD2 LYS A 78 -13.465 2.055 5.782 1.00 21.13 H new ATOM 0 HD3 LYS A 78 -13.894 0.662 4.809 1.00 21.13 H new ATOM 0 HE2 LYS A 78 -14.802 0.639 7.187 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -13.931 -0.803 6.707 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -13.380 -0.006 8.942 1.00 35.50 H new ATOM 0 HZ2 LYS A 78 -12.025 -0.089 7.922 1.00 35.50 H new ATOM 0 HZ3 LYS A 78 -12.734 1.414 8.272 1.00 35.50 H new ATOM 1187 N THR A 79 -12.045 0.319 1.083 1.00 32.23 N ATOM 1188 CA THR A 79 -12.973 -0.005 0.008 1.00 63.11 C ATOM 1189 C THR A 79 -12.535 -1.297 -0.682 1.00 61.55 C ATOM 1190 O THR A 79 -13.374 -2.163 -0.896 1.00 13.20 O ATOM 1191 CB THR A 79 -13.153 1.187 -0.960 1.00 62.25 C ATOM 1192 OG1 THR A 79 -14.098 0.859 -1.955 1.00 63.25 O ATOM 1193 CG2 THR A 79 -11.877 1.676 -1.650 1.00 4.13 C ATOM 0 H THR A 79 -11.540 1.196 0.955 1.00 32.23 H new ATOM 0 HA THR A 79 -13.964 -0.187 0.425 1.00 63.11 H new ATOM 0 HB THR A 79 -13.489 2.007 -0.325 1.00 62.25 H new ATOM 0 HG1 THR A 79 -14.209 1.619 -2.564 1.00 63.25 H new ATOM 0 HG21 THR A 79 -12.116 2.513 -2.306 1.00 4.13 H new ATOM 0 HG22 THR A 79 -11.157 1.998 -0.898 1.00 4.13 H new ATOM 0 HG23 THR A 79 -11.448 0.865 -2.239 1.00 4.13 H new ATOM 1201 N TYR A 80 -11.244 -1.517 -0.969 1.00 73.25 N ATOM 1202 CA TYR A 80 -10.841 -2.750 -1.647 1.00 54.31 C ATOM 1203 C TYR A 80 -11.204 -4.004 -0.848 1.00 42.32 C ATOM 1204 O TYR A 80 -11.583 -5.019 -1.429 1.00 1.43 O ATOM 1205 CB TYR A 80 -9.345 -2.761 -1.951 1.00 13.41 C ATOM 1206 CG TYR A 80 -9.048 -2.245 -3.335 1.00 21.50 C ATOM 1207 CD1 TYR A 80 -9.391 -3.024 -4.454 1.00 74.41 C ATOM 1208 CD2 TYR A 80 -8.429 -1.001 -3.505 1.00 71.42 C ATOM 1209 CE1 TYR A 80 -9.082 -2.577 -5.747 1.00 60.15 C ATOM 1210 CE2 TYR A 80 -8.094 -0.553 -4.789 1.00 61.35 C ATOM 1211 CZ TYR A 80 -8.411 -1.346 -5.919 1.00 3.31 C ATOM 1212 OH TYR A 80 -8.071 -0.919 -7.159 1.00 75.04 O ATOM 0 H TYR A 80 -10.482 -0.875 -0.748 1.00 73.25 H new ATOM 0 HA TYR A 80 -11.398 -2.769 -2.584 1.00 54.31 H new ATOM 0 HB2 TYR A 80 -8.821 -2.150 -1.216 1.00 13.41 H new ATOM 0 HB3 TYR A 80 -8.962 -3.777 -1.853 1.00 13.41 H new ATOM 0 HD1 TYR A 80 -9.894 -3.970 -4.317 1.00 74.41 H new ATOM 0 HD2 TYR A 80 -8.209 -0.386 -2.645 1.00 71.42 H new ATOM 0 HE1 TYR A 80 -9.356 -3.171 -6.607 1.00 60.15 H new ATOM 0 HE2 TYR A 80 -7.595 0.396 -4.917 1.00 61.35 H new ATOM 0 HH TYR A 80 -8.718 -1.261 -7.811 1.00 75.04 H new ATOM 1222 N ARG A 81 -11.075 -3.955 0.478 1.00 61.15 N ATOM 1223 CA ARG A 81 -11.420 -5.063 1.365 1.00 72.45 C ATOM 1224 C ARG A 81 -12.948 -5.184 1.496 1.00 32.34 C ATOM 1225 O ARG A 81 -13.435 -6.260 1.832 1.00 23.11 O ATOM 1226 CB ARG A 81 -10.688 -4.830 2.704 1.00 12.32 C ATOM 1227 CG ARG A 81 -10.278 -6.059 3.532 1.00 44.32 C ATOM 1228 CD ARG A 81 -11.428 -6.763 4.264 1.00 42.01 C ATOM 1229 NE ARG A 81 -11.909 -7.916 3.499 1.00 12.31 N ATOM 1230 CZ ARG A 81 -11.386 -9.146 3.500 1.00 1.44 C ATOM 1231 NH1 ARG A 81 -10.421 -9.509 4.348 1.00 71.45 N ATOM 1232 NH2 ARG A 81 -11.848 -10.020 2.620 1.00 31.43 N ATOM 0 H ARG A 81 -10.724 -3.134 0.971 1.00 61.15 H new ATOM 0 HA ARG A 81 -11.093 -6.023 0.966 1.00 72.45 H new ATOM 0 HB2 ARG A 81 -9.787 -4.254 2.495 1.00 12.32 H new ATOM 0 HB3 ARG A 81 -11.327 -4.206 3.329 1.00 12.32 H new ATOM 0 HG2 ARG A 81 -9.794 -6.778 2.871 1.00 44.32 H new ATOM 0 HG3 ARG A 81 -9.534 -5.751 4.267 1.00 44.32 H new ATOM 0 HD2 ARG A 81 -11.092 -7.090 5.248 1.00 42.01 H new ATOM 0 HD3 ARG A 81 -12.246 -6.061 4.424 1.00 42.01 H new ATOM 0 HE ARG A 81 -12.725 -7.765 2.906 1.00 12.31 H new ATOM 0 HH11 ARG A 81 -10.058 -8.838 5.025 1.00 71.45 H new ATOM 0 HH12 ARG A 81 -10.047 -10.457 4.319 1.00 71.45 H new ATOM 0 HH21 ARG A 81 -12.582 -9.747 1.967 1.00 31.43 H new ATOM 0 HH22 ARG A 81 -11.470 -10.967 2.595 1.00 31.43 H new ATOM 1246 N GLN A 82 -13.722 -4.130 1.217 1.00 71.54 N ATOM 1247 CA GLN A 82 -15.168 -4.066 1.350 1.00 32.42 C ATOM 1248 C GLN A 82 -15.819 -3.423 0.111 1.00 20.54 C ATOM 1249 O GLN A 82 -16.526 -2.412 0.185 1.00 0.23 O ATOM 1250 CB GLN A 82 -15.485 -3.324 2.648 1.00 21.21 C ATOM 1251 CG GLN A 82 -15.411 -4.244 3.880 1.00 15.41 C ATOM 1252 CD GLN A 82 -16.252 -3.707 5.036 1.00 71.53 C ATOM 1253 OE1 GLN A 82 -16.185 -2.533 5.409 1.00 51.14 O ATOM 1254 NE2 GLN A 82 -17.136 -4.521 5.586 1.00 72.35 N ATOM 0 H GLN A 82 -13.328 -3.254 0.874 1.00 71.54 H new ATOM 0 HA GLN A 82 -15.594 -5.068 1.404 1.00 32.42 H new ATOM 0 HB2 GLN A 82 -14.785 -2.498 2.772 1.00 21.21 H new ATOM 0 HB3 GLN A 82 -16.482 -2.889 2.581 1.00 21.21 H new ATOM 0 HG2 GLN A 82 -15.757 -5.242 3.611 1.00 15.41 H new ATOM 0 HG3 GLN A 82 -14.373 -4.342 4.199 1.00 15.41 H new ATOM 0 HE21 GLN A 82 -17.194 -5.492 5.280 1.00 72.35 H new ATOM 0 HE22 GLN A 82 -17.760 -4.178 6.316 1.00 72.35 H new ATOM 1263 N ARG A 83 -15.613 -4.043 -1.048 1.00 1.42 N ATOM 1264 CA ARG A 83 -16.185 -3.623 -2.340 1.00 44.34 C ATOM 1265 C ARG A 83 -17.335 -4.513 -2.776 1.00 0.01 C ATOM 1266 O ARG A 83 -17.986 -4.263 -3.791 1.00 14.40 O ATOM 1267 CB ARG A 83 -15.098 -3.468 -3.420 1.00 14.03 C ATOM 1268 CG ARG A 83 -14.184 -4.695 -3.568 1.00 54.05 C ATOM 1269 CD ARG A 83 -13.000 -4.369 -4.481 1.00 42.14 C ATOM 1270 NE ARG A 83 -13.353 -4.528 -5.895 1.00 14.13 N ATOM 1271 CZ ARG A 83 -12.947 -3.801 -6.937 1.00 32.02 C ATOM 1272 NH1 ARG A 83 -12.149 -2.749 -6.786 1.00 2.41 N ATOM 1273 NH2 ARG A 83 -13.373 -4.162 -8.132 1.00 73.14 N ATOM 0 H ARG A 83 -15.028 -4.875 -1.125 1.00 1.42 H new ATOM 0 HA ARG A 83 -16.617 -2.633 -2.196 1.00 44.34 H new ATOM 0 HB2 ARG A 83 -15.578 -3.268 -4.378 1.00 14.03 H new ATOM 0 HB3 ARG A 83 -14.486 -2.598 -3.182 1.00 14.03 H new ATOM 0 HG2 ARG A 83 -13.821 -5.007 -2.589 1.00 54.05 H new ATOM 0 HG3 ARG A 83 -14.750 -5.531 -3.980 1.00 54.05 H new ATOM 0 HD2 ARG A 83 -12.670 -3.346 -4.300 1.00 42.14 H new ATOM 0 HD3 ARG A 83 -12.161 -5.022 -4.238 1.00 42.14 H new ATOM 0 HE ARG A 83 -13.992 -5.294 -6.110 1.00 14.13 H new ATOM 0 HH11 ARG A 83 -11.831 -2.479 -5.855 1.00 2.41 H new ATOM 0 HH12 ARG A 83 -11.854 -2.211 -7.601 1.00 2.41 H new ATOM 0 HH21 ARG A 83 -13.989 -4.969 -8.232 1.00 73.14 H new ATOM 0 HH22 ARG A 83 -13.087 -3.634 -8.956 1.00 73.14 H new ATOM 1287 N GLU A 84 -17.633 -5.514 -1.963 1.00 20.54 N ATOM 1288 CA GLU A 84 -18.874 -6.252 -2.034 1.00 43.25 C ATOM 1289 C GLU A 84 -20.007 -5.273 -1.736 1.00 32.40 C ATOM 1290 O GLU A 84 -20.167 -4.811 -0.600 1.00 34.24 O ATOM 1291 CB GLU A 84 -18.881 -7.398 -1.029 1.00 0.42 C ATOM 1292 CG GLU A 84 -17.899 -8.520 -1.370 1.00 63.55 C ATOM 1293 CD GLU A 84 -17.601 -9.288 -0.092 1.00 22.30 C ATOM 1294 OE1 GLU A 84 -16.755 -8.793 0.689 1.00 4.42 O ATOM 1295 OE2 GLU A 84 -18.276 -10.305 0.189 1.00 55.25 O ATOM 0 H GLU A 84 -17.007 -5.838 -1.226 1.00 20.54 H new ATOM 0 HA GLU A 84 -18.997 -6.690 -3.024 1.00 43.25 H new ATOM 0 HB2 GLU A 84 -18.641 -7.005 -0.041 1.00 0.42 H new ATOM 0 HB3 GLU A 84 -19.887 -7.813 -0.971 1.00 0.42 H new ATOM 0 HG2 GLU A 84 -18.325 -9.183 -2.123 1.00 63.55 H new ATOM 0 HG3 GLU A 84 -16.981 -8.109 -1.790 1.00 63.55 H new ATOM 1302 N LYS A 85 -20.773 -4.927 -2.757 1.00 12.31 N ATOM 1303 CA LYS A 85 -22.059 -4.263 -2.688 1.00 54.03 C ATOM 1304 C LYS A 85 -22.743 -4.560 -4.000 1.00 60.52 C ATOM 1305 O LYS A 85 -23.988 -4.605 -3.999 1.00 31.11 O ATOM 1306 CB LYS A 85 -21.915 -2.754 -2.435 1.00 24.14 C ATOM 1307 CG LYS A 85 -23.160 -2.172 -1.760 1.00 73.51 C ATOM 1308 CD LYS A 85 -23.458 -2.777 -0.375 1.00 53.41 C ATOM 1309 CE LYS A 85 -22.440 -2.411 0.704 1.00 33.11 C ATOM 1310 NZ LYS A 85 -22.705 -1.108 1.341 1.00 31.20 N ATOM 0 H LYS A 85 -20.492 -5.116 -3.719 1.00 12.31 H new ATOM 0 HA LYS A 85 -22.649 -4.628 -1.847 1.00 54.03 H new ATOM 0 HB2 LYS A 85 -21.042 -2.572 -1.808 1.00 24.14 H new ATOM 0 HB3 LYS A 85 -21.741 -2.241 -3.381 1.00 24.14 H new ATOM 0 HG2 LYS A 85 -23.035 -1.094 -1.656 1.00 73.51 H new ATOM 0 HG3 LYS A 85 -24.021 -2.332 -2.409 1.00 73.51 H new ATOM 0 HD2 LYS A 85 -24.446 -2.448 -0.053 1.00 53.41 H new ATOM 0 HD3 LYS A 85 -23.498 -3.862 -0.467 1.00 53.41 H new ATOM 0 HE2 LYS A 85 -22.438 -3.187 1.469 1.00 33.11 H new ATOM 0 HE3 LYS A 85 -21.443 -2.395 0.263 1.00 33.11 H new ATOM 0 HZ1 LYS A 85 -21.979 -0.920 2.062 1.00 31.20 H new ATOM 0 HZ2 LYS A 85 -22.680 -0.358 0.621 1.00 31.20 H new ATOM 0 HZ3 LYS A 85 -23.643 -1.125 1.790 1.00 31.20 H new TER 1324 LYS A 85