USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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= -0.363 X(o=-0.49,f=-0.12) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= -0.122 USER MOD Set 2.1: A 32 HIS : no HD1:sc= 0.0844 X(o=0.15,f=-0.26) USER MOD Set 2.2: A 33 SER OG : rot 53:sc= 0.0698 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.147 (180deg=0) USER MOD Single : A 2 SER OG : rot -170:sc= -0.0949 USER MOD Single : A 4 ASN : amide:sc= 0.203 X(o=0.2,f=-0.25) USER MOD Single : A 6 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.13) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0.84 (180deg=0.828) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -0.363 (180deg=-0.525) USER MOD Single : A 47 ASN : amide:sc= 0.637 K(o=0.64,f=-5.8!) USER MOD Single : A 56 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0602) USER MOD Single : A 61 SER OG : rot 39:sc= -0.0182 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.0096) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 2.2 (180deg=2.09) USER MOD Single : A 70 SER OG : rot -131:sc= 1.42 USER MOD Single : A 74 CYS SG : rot 160:sc= 0 USER MOD Single : A 77 MET CE :methyl -130:sc= -6.51! (180deg=-11.4!) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0188) 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 ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.061 -0.815 -8.131 1.00 52.23 N ATOM 2 CA GLY A 1 14.479 -0.482 -6.831 1.00 14.13 C ATOM 3 C GLY A 1 15.521 0.130 -5.923 1.00 61.54 C ATOM 4 O GLY A 1 16.675 0.317 -6.324 1.00 33.53 O ATOM 0 H1 GLY A 1 14.585 -0.266 -8.875 1.00 52.23 H new ATOM 0 H2 GLY A 1 16.075 -0.585 -8.126 1.00 52.23 H new ATOM 0 H3 GLY A 1 14.937 -1.831 -8.317 1.00 52.23 H new ATOM 0 HA2 GLY A 1 13.651 0.214 -6.965 1.00 14.13 H new ATOM 0 HA3 GLY A 1 14.069 -1.380 -6.369 1.00 14.13 H new ATOM 8 N SER A 2 15.122 0.460 -4.700 1.00 63.53 N ATOM 9 CA SER A 2 15.973 1.188 -3.770 1.00 5.40 C ATOM 10 C SER A 2 15.854 0.569 -2.375 1.00 41.43 C ATOM 11 O SER A 2 15.323 -0.536 -2.212 1.00 5.31 O ATOM 12 CB SER A 2 15.649 2.692 -3.821 1.00 2.04 C ATOM 13 OG SER A 2 15.019 3.110 -5.017 1.00 61.31 O ATOM 0 H SER A 2 14.201 0.230 -4.327 1.00 63.53 H new ATOM 0 HA SER A 2 17.021 1.101 -4.057 1.00 5.40 H new ATOM 0 HB2 SER A 2 15.005 2.942 -2.978 1.00 2.04 H new ATOM 0 HB3 SER A 2 16.573 3.256 -3.694 1.00 2.04 H new ATOM 0 HG SER A 2 14.988 4.089 -5.045 1.00 61.31 H new ATOM 19 N GLU A 3 16.361 1.238 -1.339 1.00 12.13 N ATOM 20 CA GLU A 3 16.451 0.683 0.011 1.00 50.43 C ATOM 21 C GLU A 3 15.109 0.604 0.753 1.00 5.32 C ATOM 22 O GLU A 3 15.056 0.568 1.983 1.00 12.31 O ATOM 23 CB GLU A 3 17.519 1.412 0.810 1.00 30.14 C ATOM 24 CG GLU A 3 17.173 2.826 1.304 1.00 42.13 C ATOM 25 CD GLU A 3 17.446 3.000 2.798 1.00 43.14 C ATOM 26 OE1 GLU A 3 18.488 2.499 3.290 1.00 44.03 O ATOM 27 OE2 GLU A 3 16.642 3.685 3.466 1.00 50.14 O ATOM 0 H GLU A 3 16.724 2.188 -1.414 1.00 12.13 H new ATOM 0 HA GLU A 3 16.751 -0.359 -0.100 1.00 50.43 H new ATOM 0 HB2 GLU A 3 17.770 0.801 1.677 1.00 30.14 H new ATOM 0 HB3 GLU A 3 18.417 1.477 0.196 1.00 30.14 H new ATOM 0 HG2 GLU A 3 17.755 3.557 0.743 1.00 42.13 H new ATOM 0 HG3 GLU A 3 16.122 3.032 1.102 1.00 42.13 H new ATOM 34 N ASN A 4 14.022 0.567 -0.002 1.00 5.32 N ATOM 35 CA ASN A 4 12.648 0.398 0.442 1.00 72.45 C ATOM 36 C ASN A 4 12.168 -1.025 0.163 1.00 14.33 C ATOM 37 O ASN A 4 11.354 -1.531 0.926 1.00 50.41 O ATOM 38 CB ASN A 4 11.698 1.404 -0.240 1.00 11.44 C ATOM 39 CG ASN A 4 12.382 2.459 -1.098 1.00 71.52 C ATOM 40 OD1 ASN A 4 12.822 3.494 -0.616 1.00 61.12 O ATOM 41 ND2 ASN A 4 12.541 2.199 -2.378 1.00 50.44 N ATOM 0 H ASN A 4 14.082 0.661 -1.016 1.00 5.32 H new ATOM 0 HA ASN A 4 12.631 0.586 1.515 1.00 72.45 H new ATOM 0 HB2 ASN A 4 10.995 0.851 -0.863 1.00 11.44 H new ATOM 0 HB3 ASN A 4 11.113 1.907 0.530 1.00 11.44 H new ATOM 0 HD21 ASN A 4 13.034 2.862 -2.976 1.00 50.44 H new ATOM 0 HD22 ASN A 4 12.171 1.334 -2.772 1.00 50.44 H new ATOM 48 N PHE A 5 12.633 -1.663 -0.916 1.00 41.15 N ATOM 49 CA PHE A 5 12.144 -2.962 -1.388 1.00 34.21 C ATOM 50 C PHE A 5 12.197 -4.038 -0.299 1.00 10.41 C ATOM 51 O PHE A 5 11.167 -4.623 0.040 1.00 64.21 O ATOM 52 CB PHE A 5 12.937 -3.397 -2.629 1.00 65.24 C ATOM 53 CG PHE A 5 12.608 -4.784 -3.165 1.00 24.23 C ATOM 54 CD1 PHE A 5 11.349 -5.064 -3.736 1.00 65.31 C ATOM 55 CD2 PHE A 5 13.582 -5.801 -3.111 1.00 33.30 C ATOM 56 CE1 PHE A 5 11.080 -6.339 -4.262 1.00 74.24 C ATOM 57 CE2 PHE A 5 13.308 -7.079 -3.629 1.00 12.22 C ATOM 58 CZ PHE A 5 12.057 -7.345 -4.211 1.00 31.12 C ATOM 0 H PHE A 5 13.378 -1.281 -1.499 1.00 41.15 H new ATOM 0 HA PHE A 5 11.094 -2.844 -1.655 1.00 34.21 H new ATOM 0 HB2 PHE A 5 12.764 -2.670 -3.422 1.00 65.24 H new ATOM 0 HB3 PHE A 5 14.000 -3.362 -2.390 1.00 65.24 H new ATOM 0 HD1 PHE A 5 10.590 -4.297 -3.769 1.00 65.31 H new ATOM 0 HD2 PHE A 5 14.546 -5.597 -2.669 1.00 33.30 H new ATOM 0 HE1 PHE A 5 10.118 -6.545 -4.707 1.00 74.24 H new ATOM 0 HE2 PHE A 5 14.058 -7.855 -3.580 1.00 12.22 H new ATOM 0 HZ PHE A 5 11.848 -8.323 -4.619 1.00 31.12 H new ATOM 68 N GLN A 6 13.391 -4.313 0.231 1.00 61.43 N ATOM 69 CA GLN A 6 13.639 -5.378 1.198 1.00 72.43 C ATOM 70 C GLN A 6 12.809 -5.194 2.469 1.00 63.12 C ATOM 71 O GLN A 6 12.440 -6.187 3.094 1.00 10.02 O ATOM 72 CB GLN A 6 15.143 -5.430 1.515 1.00 34.20 C ATOM 73 CG GLN A 6 15.578 -6.632 2.362 1.00 53.34 C ATOM 74 CD GLN A 6 15.327 -7.934 1.616 1.00 74.21 C ATOM 75 OE1 GLN A 6 15.943 -8.179 0.583 1.00 21.13 O ATOM 76 NE2 GLN A 6 14.393 -8.756 2.063 1.00 43.35 N ATOM 0 H GLN A 6 14.231 -3.787 -0.008 1.00 61.43 H new ATOM 0 HA GLN A 6 13.330 -6.328 0.762 1.00 72.43 H new ATOM 0 HB2 GLN A 6 15.698 -5.444 0.577 1.00 34.20 H new ATOM 0 HB3 GLN A 6 15.422 -4.515 2.037 1.00 34.20 H new ATOM 0 HG2 GLN A 6 16.636 -6.546 2.608 1.00 53.34 H new ATOM 0 HG3 GLN A 6 15.031 -6.636 3.305 1.00 53.34 H new ATOM 0 HE21 GLN A 6 13.890 -8.537 2.923 1.00 43.35 H new ATOM 0 HE22 GLN A 6 14.175 -9.609 1.548 1.00 43.35 H new ATOM 85 N THR A 7 12.479 -3.951 2.820 1.00 61.44 N ATOM 86 CA THR A 7 11.672 -3.623 3.979 1.00 4.13 C ATOM 87 C THR A 7 10.301 -4.296 3.855 1.00 45.35 C ATOM 88 O THR A 7 9.810 -4.864 4.827 1.00 33.22 O ATOM 89 CB THR A 7 11.559 -2.090 4.088 1.00 62.45 C ATOM 90 OG1 THR A 7 12.806 -1.466 3.815 1.00 21.41 O ATOM 91 CG2 THR A 7 11.115 -1.641 5.473 1.00 52.25 C ATOM 0 H THR A 7 12.775 -3.131 2.290 1.00 61.44 H new ATOM 0 HA THR A 7 12.136 -3.995 4.892 1.00 4.13 H new ATOM 0 HB THR A 7 10.810 -1.794 3.353 1.00 62.45 H new ATOM 0 HG1 THR A 7 12.708 -0.494 3.889 1.00 21.41 H new ATOM 0 HG21 THR A 7 11.050 -0.553 5.499 1.00 52.25 H new ATOM 0 HG22 THR A 7 10.138 -2.068 5.698 1.00 52.25 H new ATOM 0 HG23 THR A 7 11.839 -1.980 6.215 1.00 52.25 H new ATOM 99 N LEU A 8 9.704 -4.313 2.653 1.00 12.32 N ATOM 100 CA LEU A 8 8.426 -4.984 2.449 1.00 64.13 C ATOM 101 C LEU A 8 8.569 -6.487 2.613 1.00 43.32 C ATOM 102 O LEU A 8 7.669 -7.127 3.150 1.00 30.43 O ATOM 103 CB LEU A 8 7.842 -4.744 1.052 1.00 32.43 C ATOM 104 CG LEU A 8 7.289 -3.349 0.730 1.00 50.02 C ATOM 105 CD1 LEU A 8 6.572 -2.686 1.916 1.00 4.13 C ATOM 106 CD2 LEU A 8 8.375 -2.436 0.173 1.00 21.42 C ATOM 0 H LEU A 8 10.088 -3.871 1.818 1.00 12.32 H new ATOM 0 HA LEU A 8 7.758 -4.562 3.200 1.00 64.13 H new ATOM 0 HB2 LEU A 8 8.619 -4.971 0.322 1.00 32.43 H new ATOM 0 HB3 LEU A 8 7.039 -5.465 0.898 1.00 32.43 H new ATOM 0 HG LEU A 8 6.532 -3.501 -0.040 1.00 50.02 H new ATOM 0 HD11 LEU A 8 6.207 -1.703 1.617 1.00 4.13 H new ATOM 0 HD12 LEU A 8 5.731 -3.307 2.226 1.00 4.13 H new ATOM 0 HD13 LEU A 8 7.268 -2.577 2.747 1.00 4.13 H new ATOM 0 HD21 LEU A 8 7.950 -1.456 -0.045 1.00 21.42 H new ATOM 0 HD22 LEU A 8 9.174 -2.330 0.907 1.00 21.42 H new ATOM 0 HD23 LEU A 8 8.779 -2.868 -0.743 1.00 21.42 H new ATOM 118 N LEU A 9 9.663 -7.072 2.128 1.00 1.20 N ATOM 119 CA LEU A 9 9.878 -8.506 2.262 1.00 63.31 C ATOM 120 C LEU A 9 10.021 -8.888 3.738 1.00 21.51 C ATOM 121 O LEU A 9 9.797 -10.051 4.071 1.00 65.14 O ATOM 122 CB LEU A 9 11.119 -8.962 1.472 1.00 72.33 C ATOM 123 CG LEU A 9 10.974 -9.132 -0.051 1.00 50.43 C ATOM 124 CD1 LEU A 9 9.762 -9.980 -0.445 1.00 63.25 C ATOM 125 CD2 LEU A 9 10.932 -7.805 -0.808 1.00 51.41 C ATOM 0 H LEU A 9 10.409 -6.575 1.641 1.00 1.20 H new ATOM 0 HA LEU A 9 9.008 -9.014 1.846 1.00 63.31 H new ATOM 0 HB2 LEU A 9 11.916 -8.242 1.655 1.00 72.33 H new ATOM 0 HB3 LEU A 9 11.449 -9.915 1.886 1.00 72.33 H new ATOM 0 HG LEU A 9 11.879 -9.662 -0.347 1.00 50.43 H new ATOM 0 HD11 LEU A 9 9.714 -10.063 -1.531 1.00 63.25 H new ATOM 0 HD12 LEU A 9 9.856 -10.974 -0.008 1.00 63.25 H new ATOM 0 HD13 LEU A 9 8.852 -9.507 -0.077 1.00 63.25 H new ATOM 0 HD21 LEU A 9 10.829 -7.998 -1.876 1.00 51.41 H new ATOM 0 HD22 LEU A 9 10.083 -7.216 -0.462 1.00 51.41 H new ATOM 0 HD23 LEU A 9 11.854 -7.253 -0.627 1.00 51.41 H new ATOM 137 N ASP A 10 10.357 -7.948 4.621 1.00 61.12 N ATOM 138 CA ASP A 10 10.457 -8.165 6.068 1.00 4.01 C ATOM 139 C ASP A 10 9.148 -7.758 6.775 1.00 22.31 C ATOM 140 O ASP A 10 8.930 -8.040 7.951 1.00 71.43 O ATOM 141 CB ASP A 10 11.688 -7.415 6.605 1.00 65.24 C ATOM 142 CG ASP A 10 12.233 -7.937 7.947 1.00 64.54 C ATOM 143 OD1 ASP A 10 11.457 -8.313 8.854 1.00 42.31 O ATOM 144 OD2 ASP A 10 13.458 -7.813 8.187 1.00 12.23 O ATOM 0 H ASP A 10 10.573 -6.990 4.345 1.00 61.12 H new ATOM 0 HA ASP A 10 10.594 -9.225 6.279 1.00 4.01 H new ATOM 0 HB2 ASP A 10 12.482 -7.471 5.861 1.00 65.24 H new ATOM 0 HB3 ASP A 10 11.432 -6.362 6.719 1.00 65.24 H new ATOM 149 N ALA A 11 8.190 -7.175 6.056 1.00 1.23 N ATOM 150 CA ALA A 11 6.943 -6.650 6.600 1.00 71.35 C ATOM 151 C ALA A 11 5.852 -7.721 6.691 1.00 14.11 C ATOM 152 O ALA A 11 4.671 -7.376 6.782 1.00 11.30 O ATOM 153 CB ALA A 11 6.470 -5.489 5.722 1.00 5.41 C ATOM 0 H ALA A 11 8.265 -7.052 5.046 1.00 1.23 H new ATOM 0 HA ALA A 11 7.133 -6.305 7.616 1.00 71.35 H new ATOM 0 HB1 ALA A 11 5.538 -5.088 6.120 1.00 5.41 H new ATOM 0 HB2 ALA A 11 7.228 -4.706 5.715 1.00 5.41 H new ATOM 0 HB3 ALA A 11 6.307 -5.845 4.705 1.00 5.41 H new ATOM 159 N GLY A 12 6.186 -9.007 6.588 1.00 63.53 N ATOM 160 CA GLY A 12 5.184 -10.061 6.600 1.00 31.40 C ATOM 161 C GLY A 12 4.640 -10.401 5.215 1.00 11.32 C ATOM 162 O GLY A 12 3.604 -11.063 5.127 1.00 31.24 O ATOM 0 H GLY A 12 7.146 -9.340 6.495 1.00 63.53 H new ATOM 0 HA2 GLY A 12 5.618 -10.958 7.041 1.00 31.40 H new ATOM 0 HA3 GLY A 12 4.357 -9.758 7.242 1.00 31.40 H new ATOM 166 N LEU A 13 5.267 -9.914 4.137 1.00 4.43 N ATOM 167 CA LEU A 13 4.638 -9.843 2.819 1.00 41.23 C ATOM 168 C LEU A 13 5.325 -10.721 1.765 1.00 25.14 C ATOM 169 O LEU A 13 6.517 -11.028 1.899 1.00 61.34 O ATOM 170 CB LEU A 13 4.669 -8.391 2.329 1.00 63.41 C ATOM 171 CG LEU A 13 3.987 -7.353 3.217 1.00 54.04 C ATOM 172 CD1 LEU A 13 4.315 -5.945 2.710 1.00 54.15 C ATOM 173 CD2 LEU A 13 2.474 -7.571 3.204 1.00 11.22 C ATOM 0 H LEU A 13 6.223 -9.559 4.157 1.00 4.43 H new ATOM 0 HA LEU A 13 3.620 -10.213 2.938 1.00 41.23 H new ATOM 0 HB2 LEU A 13 5.711 -8.097 2.201 1.00 63.41 H new ATOM 0 HB3 LEU A 13 4.204 -8.354 1.344 1.00 63.41 H new ATOM 0 HG LEU A 13 4.352 -7.460 4.239 1.00 54.04 H new ATOM 0 HD11 LEU A 13 3.827 -5.206 3.346 1.00 54.15 H new ATOM 0 HD12 LEU A 13 5.394 -5.791 2.737 1.00 54.15 H new ATOM 0 HD13 LEU A 13 3.958 -5.835 1.686 1.00 54.15 H new ATOM 0 HD21 LEU A 13 1.994 -6.827 3.840 1.00 11.22 H new ATOM 0 HD22 LEU A 13 2.101 -7.473 2.185 1.00 11.22 H new ATOM 0 HD23 LEU A 13 2.247 -8.569 3.579 1.00 11.22 H new ATOM 185 N PRO A 14 4.616 -11.037 0.662 1.00 50.14 N ATOM 186 CA PRO A 14 5.185 -11.731 -0.489 1.00 51.32 C ATOM 187 C PRO A 14 6.142 -10.830 -1.272 1.00 30.11 C ATOM 188 O PRO A 14 6.186 -9.612 -1.069 1.00 24.34 O ATOM 189 CB PRO A 14 3.992 -12.094 -1.378 1.00 54.41 C ATOM 190 CG PRO A 14 2.953 -11.031 -1.044 1.00 61.05 C ATOM 191 CD PRO A 14 3.203 -10.740 0.420 1.00 50.32 C ATOM 0 HA PRO A 14 5.757 -12.602 -0.169 1.00 51.32 H new ATOM 0 HB2 PRO A 14 4.260 -12.074 -2.434 1.00 54.41 H new ATOM 0 HB3 PRO A 14 3.622 -13.096 -1.162 1.00 54.41 H new ATOM 0 HG2 PRO A 14 3.080 -10.139 -1.658 1.00 61.05 H new ATOM 0 HG3 PRO A 14 1.939 -11.393 -1.214 1.00 61.05 H new ATOM 0 HD2 PRO A 14 2.979 -9.699 0.653 1.00 50.32 H new ATOM 0 HD3 PRO A 14 2.563 -11.354 1.053 1.00 50.32 H new ATOM 199 N GLN A 15 6.832 -11.407 -2.262 1.00 51.24 N ATOM 200 CA GLN A 15 7.595 -10.625 -3.212 1.00 12.14 C ATOM 201 C GLN A 15 6.664 -9.861 -4.135 1.00 62.31 C ATOM 202 O GLN A 15 6.885 -8.674 -4.332 1.00 74.21 O ATOM 203 CB GLN A 15 8.561 -11.516 -3.996 1.00 23.30 C ATOM 204 CG GLN A 15 9.420 -10.693 -4.967 1.00 32.11 C ATOM 205 CD GLN A 15 10.798 -11.307 -5.138 1.00 52.13 C ATOM 206 OE1 GLN A 15 11.035 -12.088 -6.051 1.00 21.34 O ATOM 207 NE2 GLN A 15 11.732 -10.970 -4.264 1.00 62.54 N ATOM 0 H GLN A 15 6.871 -12.414 -2.417 1.00 51.24 H new ATOM 0 HA GLN A 15 8.194 -9.897 -2.665 1.00 12.14 H new ATOM 0 HB2 GLN A 15 9.207 -12.053 -3.302 1.00 23.30 H new ATOM 0 HB3 GLN A 15 7.997 -12.265 -4.552 1.00 23.30 H new ATOM 0 HG2 GLN A 15 8.923 -10.634 -5.935 1.00 32.11 H new ATOM 0 HG3 GLN A 15 9.517 -9.673 -4.595 1.00 32.11 H new ATOM 0 HE21 GLN A 15 11.514 -10.318 -3.511 1.00 62.54 H new ATOM 0 HE22 GLN A 15 12.670 -11.362 -4.343 1.00 62.54 H new ATOM 216 N LYS A 16 5.646 -10.513 -4.711 1.00 1.40 N ATOM 217 CA LYS A 16 4.931 -9.949 -5.859 1.00 11.20 C ATOM 218 C LYS A 16 4.400 -8.539 -5.606 1.00 23.04 C ATOM 219 O LYS A 16 4.412 -7.724 -6.520 1.00 70.02 O ATOM 220 CB LYS A 16 3.780 -10.870 -6.305 1.00 21.00 C ATOM 221 CG LYS A 16 4.231 -12.006 -7.234 1.00 62.01 C ATOM 222 CD LYS A 16 4.477 -11.493 -8.659 1.00 14.43 C ATOM 223 CE LYS A 16 5.159 -12.543 -9.537 1.00 12.40 C ATOM 224 NZ LYS A 16 5.811 -11.941 -10.723 1.00 15.53 N ATOM 0 H LYS A 16 5.303 -11.423 -4.403 1.00 1.40 H new ATOM 0 HA LYS A 16 5.668 -9.876 -6.659 1.00 11.20 H new ATOM 0 HB2 LYS A 16 3.306 -11.299 -5.422 1.00 21.00 H new ATOM 0 HB3 LYS A 16 3.024 -10.273 -6.815 1.00 21.00 H new ATOM 0 HG2 LYS A 16 5.144 -12.457 -6.845 1.00 62.01 H new ATOM 0 HG3 LYS A 16 3.472 -12.788 -7.252 1.00 62.01 H new ATOM 0 HD2 LYS A 16 3.527 -11.205 -9.110 1.00 14.43 H new ATOM 0 HD3 LYS A 16 5.096 -10.596 -8.620 1.00 14.43 H new ATOM 0 HE2 LYS A 16 5.903 -13.079 -8.948 1.00 12.40 H new ATOM 0 HE3 LYS A 16 4.422 -13.277 -9.863 1.00 12.40 H new ATOM 0 HZ1 LYS A 16 6.260 -12.689 -11.289 1.00 15.53 H new ATOM 0 HZ2 LYS A 16 5.098 -11.451 -11.300 1.00 15.53 H new ATOM 0 HZ3 LYS A 16 6.533 -11.260 -10.414 1.00 15.53 H new ATOM 238 N VAL A 17 3.959 -8.278 -4.378 1.00 64.32 N ATOM 239 CA VAL A 17 3.459 -7.021 -3.861 1.00 2.30 C ATOM 240 C VAL A 17 4.642 -6.056 -3.739 1.00 13.51 C ATOM 241 O VAL A 17 4.619 -4.992 -4.359 1.00 74.03 O ATOM 242 CB VAL A 17 2.697 -7.311 -2.541 1.00 41.43 C ATOM 243 CG1 VAL A 17 2.226 -6.027 -1.845 1.00 65.41 C ATOM 244 CG2 VAL A 17 1.471 -8.190 -2.836 1.00 12.14 C ATOM 0 H VAL A 17 3.944 -9.007 -3.664 1.00 64.32 H new ATOM 0 HA VAL A 17 2.740 -6.533 -4.519 1.00 2.30 H new ATOM 0 HB VAL A 17 3.391 -7.822 -1.874 1.00 41.43 H new ATOM 0 HG11 VAL A 17 1.698 -6.284 -0.926 1.00 65.41 H new ATOM 0 HG12 VAL A 17 3.089 -5.405 -1.606 1.00 65.41 H new ATOM 0 HG13 VAL A 17 1.556 -5.479 -2.507 1.00 65.41 H new ATOM 0 HG21 VAL A 17 0.937 -8.393 -1.908 1.00 12.14 H new ATOM 0 HG22 VAL A 17 0.809 -7.671 -3.529 1.00 12.14 H new ATOM 0 HG23 VAL A 17 1.796 -9.131 -3.280 1.00 12.14 H new ATOM 254 N ALA A 18 5.699 -6.446 -3.015 1.00 1.03 N ATOM 255 CA ALA A 18 6.915 -5.650 -2.811 1.00 5.04 C ATOM 256 C ALA A 18 7.444 -5.059 -4.119 1.00 61.45 C ATOM 257 O ALA A 18 7.854 -3.904 -4.156 1.00 64.41 O ATOM 258 CB ALA A 18 8.037 -6.483 -2.176 1.00 3.41 C ATOM 0 H ALA A 18 5.732 -7.349 -2.542 1.00 1.03 H new ATOM 0 HA ALA A 18 6.628 -4.841 -2.139 1.00 5.04 H new ATOM 0 HB1 ALA A 18 8.921 -5.860 -2.041 1.00 3.41 H new ATOM 0 HB2 ALA A 18 7.707 -6.860 -1.208 1.00 3.41 H new ATOM 0 HB3 ALA A 18 8.281 -7.322 -2.828 1.00 3.41 H new ATOM 264 N GLU A 19 7.418 -5.841 -5.200 1.00 31.11 N ATOM 265 CA GLU A 19 7.972 -5.462 -6.494 1.00 51.34 C ATOM 266 C GLU A 19 7.329 -4.240 -7.135 1.00 30.34 C ATOM 267 O GLU A 19 7.942 -3.670 -8.043 1.00 72.13 O ATOM 268 CB GLU A 19 7.765 -6.590 -7.506 1.00 11.00 C ATOM 269 CG GLU A 19 8.463 -7.908 -7.203 1.00 43.05 C ATOM 270 CD GLU A 19 8.213 -8.845 -8.378 1.00 32.12 C ATOM 271 OE1 GLU A 19 7.033 -9.079 -8.726 1.00 74.44 O ATOM 272 OE2 GLU A 19 9.183 -9.240 -9.053 1.00 61.13 O ATOM 0 H GLU A 19 7.003 -6.773 -5.197 1.00 31.11 H new ATOM 0 HA GLU A 19 9.018 -5.245 -6.277 1.00 51.34 H new ATOM 0 HB2 GLU A 19 6.695 -6.781 -7.590 1.00 11.00 H new ATOM 0 HB3 GLU A 19 8.104 -6.240 -8.481 1.00 11.00 H new ATOM 0 HG2 GLU A 19 9.532 -7.751 -7.060 1.00 43.05 H new ATOM 0 HG3 GLU A 19 8.078 -8.341 -6.280 1.00 43.05 H new ATOM 279 N LYS A 20 6.100 -3.892 -6.741 1.00 45.15 N ATOM 280 CA LYS A 20 5.488 -2.612 -7.151 1.00 41.54 C ATOM 281 C LYS A 20 5.294 -1.655 -5.971 1.00 4.50 C ATOM 282 O LYS A 20 5.214 -0.443 -6.170 1.00 31.41 O ATOM 283 CB LYS A 20 4.211 -2.780 -8.005 1.00 2.34 C ATOM 284 CG LYS A 20 3.230 -3.845 -7.506 1.00 32.15 C ATOM 285 CD LYS A 20 3.249 -5.206 -8.219 1.00 61.25 C ATOM 286 CE LYS A 20 4.480 -5.578 -9.057 1.00 45.21 C ATOM 287 NZ LYS A 20 4.554 -7.034 -9.307 1.00 43.23 N ATOM 0 H LYS A 20 5.509 -4.470 -6.143 1.00 45.15 H new ATOM 0 HA LYS A 20 6.211 -2.141 -7.817 1.00 41.54 H new ATOM 0 HB2 LYS A 20 3.692 -1.822 -8.047 1.00 2.34 H new ATOM 0 HB3 LYS A 20 4.505 -3.029 -9.025 1.00 2.34 H new ATOM 0 HG2 LYS A 20 3.426 -4.015 -6.447 1.00 32.15 H new ATOM 0 HG3 LYS A 20 2.222 -3.438 -7.582 1.00 32.15 H new ATOM 0 HD2 LYS A 20 3.118 -5.979 -7.461 1.00 61.25 H new ATOM 0 HD3 LYS A 20 2.378 -5.250 -8.873 1.00 61.25 H new ATOM 0 HE2 LYS A 20 4.446 -5.047 -10.008 1.00 45.21 H new ATOM 0 HE3 LYS A 20 5.383 -5.251 -8.541 1.00 45.21 H new ATOM 0 HZ1 LYS A 20 5.433 -7.254 -9.817 1.00 43.23 H new ATOM 0 HZ2 LYS A 20 4.543 -7.543 -8.400 1.00 43.23 H new ATOM 0 HZ3 LYS A 20 3.738 -7.330 -9.880 1.00 43.23 H new ATOM 301 N LEU A 21 5.260 -2.162 -4.739 1.00 44.21 N ATOM 302 CA LEU A 21 5.151 -1.360 -3.524 1.00 64.23 C ATOM 303 C LEU A 21 6.438 -0.566 -3.258 1.00 50.24 C ATOM 304 O LEU A 21 6.386 0.502 -2.662 1.00 45.23 O ATOM 305 CB LEU A 21 4.828 -2.320 -2.377 1.00 65.21 C ATOM 306 CG LEU A 21 4.506 -1.735 -0.992 1.00 74.22 C ATOM 307 CD1 LEU A 21 3.681 -0.452 -0.983 1.00 10.43 C ATOM 308 CD2 LEU A 21 3.754 -2.794 -0.172 1.00 32.31 C ATOM 0 H LEU A 21 5.309 -3.164 -4.555 1.00 44.21 H new ATOM 0 HA LEU A 21 4.360 -0.617 -3.626 1.00 64.23 H new ATOM 0 HB2 LEU A 21 3.977 -2.928 -2.685 1.00 65.21 H new ATOM 0 HB3 LEU A 21 5.677 -2.994 -2.262 1.00 65.21 H new ATOM 0 HG LEU A 21 5.473 -1.466 -0.567 1.00 74.22 H new ATOM 0 HD11 LEU A 21 3.516 -0.133 0.046 1.00 10.43 H new ATOM 0 HD12 LEU A 21 4.216 0.329 -1.524 1.00 10.43 H new ATOM 0 HD13 LEU A 21 2.720 -0.634 -1.465 1.00 10.43 H new ATOM 0 HD21 LEU A 21 3.519 -2.392 0.814 1.00 32.31 H new ATOM 0 HD22 LEU A 21 2.830 -3.062 -0.684 1.00 32.31 H new ATOM 0 HD23 LEU A 21 4.379 -3.681 -0.063 1.00 32.31 H new ATOM 320 N ASP A 22 7.590 -1.062 -3.707 1.00 51.42 N ATOM 321 CA ASP A 22 8.901 -0.403 -3.594 1.00 70.15 C ATOM 322 C ASP A 22 8.862 1.035 -4.132 1.00 12.23 C ATOM 323 O ASP A 22 9.265 1.976 -3.452 1.00 14.40 O ATOM 324 CB ASP A 22 9.903 -1.309 -4.320 1.00 51.04 C ATOM 325 CG ASP A 22 11.301 -0.753 -4.578 1.00 24.31 C ATOM 326 OD1 ASP A 22 11.892 -0.098 -3.700 1.00 11.20 O ATOM 327 OD2 ASP A 22 11.844 -1.130 -5.646 1.00 4.13 O ATOM 0 H ASP A 22 7.644 -1.966 -4.177 1.00 51.42 H new ATOM 0 HA ASP A 22 9.205 -0.285 -2.554 1.00 70.15 H new ATOM 0 HB2 ASP A 22 10.008 -2.226 -3.740 1.00 51.04 H new ATOM 0 HB3 ASP A 22 9.470 -1.587 -5.281 1.00 51.04 H new ATOM 332 N GLU A 23 8.262 1.247 -5.296 1.00 74.35 N ATOM 333 CA GLU A 23 8.114 2.507 -5.988 1.00 1.00 C ATOM 334 C GLU A 23 7.245 3.523 -5.254 1.00 53.13 C ATOM 335 O GLU A 23 7.427 4.726 -5.425 1.00 31.30 O ATOM 336 CB GLU A 23 7.498 2.092 -7.318 1.00 42.32 C ATOM 337 CG GLU A 23 6.905 3.221 -8.127 1.00 22.01 C ATOM 338 CD GLU A 23 6.758 2.790 -9.579 1.00 34.03 C ATOM 339 OE1 GLU A 23 5.700 2.230 -9.959 1.00 63.45 O ATOM 340 OE2 GLU A 23 7.746 2.891 -10.334 1.00 1.31 O ATOM 0 H GLU A 23 7.836 0.479 -5.815 1.00 74.35 H new ATOM 0 HA GLU A 23 9.066 3.029 -6.083 1.00 1.00 H new ATOM 0 HB2 GLU A 23 8.263 1.599 -7.917 1.00 42.32 H new ATOM 0 HB3 GLU A 23 6.719 1.354 -7.126 1.00 42.32 H new ATOM 0 HG2 GLU A 23 5.933 3.501 -7.721 1.00 22.01 H new ATOM 0 HG3 GLU A 23 7.543 4.102 -8.062 1.00 22.01 H new ATOM 347 N ILE A 24 6.298 3.054 -4.447 1.00 41.42 N ATOM 348 CA ILE A 24 5.438 3.914 -3.627 1.00 11.15 C ATOM 349 C ILE A 24 6.321 4.782 -2.706 1.00 11.13 C ATOM 350 O ILE A 24 5.999 5.939 -2.423 1.00 65.14 O ATOM 351 CB ILE A 24 4.411 3.058 -2.858 1.00 70.14 C ATOM 352 CG1 ILE A 24 3.652 2.086 -3.789 1.00 54.14 C ATOM 353 CG2 ILE A 24 3.400 3.843 -2.014 1.00 52.51 C ATOM 354 CD1 ILE A 24 2.657 2.754 -4.743 1.00 31.32 C ATOM 0 H ILE A 24 6.101 2.059 -4.340 1.00 41.42 H new ATOM 0 HA ILE A 24 4.861 4.592 -4.255 1.00 11.15 H new ATOM 0 HB ILE A 24 5.029 2.499 -2.156 1.00 70.14 H new ATOM 0 HG12 ILE A 24 4.379 1.527 -4.378 1.00 54.14 H new ATOM 0 HG13 ILE A 24 3.115 1.362 -3.175 1.00 54.14 H new ATOM 0 HG21 ILE A 24 2.725 3.148 -1.515 1.00 52.51 H new ATOM 0 HG22 ILE A 24 3.930 4.433 -1.266 1.00 52.51 H new ATOM 0 HG23 ILE A 24 2.825 4.507 -2.659 1.00 52.51 H new ATOM 0 HD11 ILE A 24 2.173 1.993 -5.356 1.00 31.32 H new ATOM 0 HD12 ILE A 24 1.903 3.289 -4.166 1.00 31.32 H new ATOM 0 HD13 ILE A 24 3.186 3.456 -5.387 1.00 31.32 H new ATOM 366 N TYR A 25 7.463 4.237 -2.273 1.00 50.15 N ATOM 367 CA TYR A 25 8.443 4.928 -1.449 1.00 4.13 C ATOM 368 C TYR A 25 9.354 5.793 -2.328 1.00 14.24 C ATOM 369 O TYR A 25 9.489 6.991 -2.078 1.00 51.43 O ATOM 370 CB TYR A 25 9.196 3.886 -0.605 1.00 10.21 C ATOM 371 CG TYR A 25 8.242 3.078 0.260 1.00 51.03 C ATOM 372 CD1 TYR A 25 7.573 3.695 1.333 1.00 44.05 C ATOM 373 CD2 TYR A 25 7.881 1.776 -0.124 1.00 33.40 C ATOM 374 CE1 TYR A 25 6.493 3.053 1.965 1.00 71.51 C ATOM 375 CE2 TYR A 25 6.832 1.117 0.536 1.00 21.11 C ATOM 376 CZ TYR A 25 6.113 1.757 1.564 1.00 32.32 C ATOM 377 OH TYR A 25 5.019 1.156 2.108 1.00 24.44 O ATOM 0 H TYR A 25 7.732 3.278 -2.495 1.00 50.15 H new ATOM 0 HA TYR A 25 7.962 5.618 -0.756 1.00 4.13 H new ATOM 0 HB2 TYR A 25 9.750 3.216 -1.262 1.00 10.21 H new ATOM 0 HB3 TYR A 25 9.927 4.388 0.028 1.00 10.21 H new ATOM 0 HD1 TYR A 25 7.891 4.669 1.674 1.00 44.05 H new ATOM 0 HD2 TYR A 25 8.410 1.283 -0.926 1.00 33.40 H new ATOM 0 HE1 TYR A 25 5.955 3.553 2.757 1.00 71.51 H new ATOM 0 HE2 TYR A 25 6.573 0.108 0.252 1.00 21.11 H new ATOM 0 HH TYR A 25 4.905 0.266 1.714 1.00 24.44 H new ATOM 387 N VAL A 26 9.920 5.227 -3.404 1.00 33.34 N ATOM 388 CA VAL A 26 10.814 5.946 -4.323 1.00 45.14 C ATOM 389 C VAL A 26 10.198 7.258 -4.822 1.00 63.13 C ATOM 390 O VAL A 26 10.885 8.274 -4.891 1.00 5.33 O ATOM 391 CB VAL A 26 11.202 5.065 -5.532 1.00 42.04 C ATOM 392 CG1 VAL A 26 12.196 5.774 -6.466 1.00 1.41 C ATOM 393 CG2 VAL A 26 11.857 3.757 -5.090 1.00 24.31 C ATOM 0 H VAL A 26 9.769 4.252 -3.662 1.00 33.34 H new ATOM 0 HA VAL A 26 11.711 6.186 -3.752 1.00 45.14 H new ATOM 0 HB VAL A 26 10.268 4.866 -6.058 1.00 42.04 H new ATOM 0 HG11 VAL A 26 12.441 5.118 -7.302 1.00 1.41 H new ATOM 0 HG12 VAL A 26 11.748 6.693 -6.845 1.00 1.41 H new ATOM 0 HG13 VAL A 26 13.105 6.014 -5.915 1.00 1.41 H new ATOM 0 HG21 VAL A 26 12.116 3.165 -5.968 1.00 24.31 H new ATOM 0 HG22 VAL A 26 12.761 3.977 -4.521 1.00 24.31 H new ATOM 0 HG23 VAL A 26 11.163 3.195 -4.465 1.00 24.31 H new ATOM 403 N ALA A 27 8.908 7.252 -5.157 1.00 43.21 N ATOM 404 CA ALA A 27 8.217 8.353 -5.807 1.00 14.22 C ATOM 405 C ALA A 27 7.929 9.505 -4.839 1.00 71.12 C ATOM 406 O ALA A 27 7.168 10.407 -5.177 1.00 61.20 O ATOM 407 CB ALA A 27 6.929 7.811 -6.441 1.00 61.20 C ATOM 0 H ALA A 27 8.301 6.453 -4.975 1.00 43.21 H new ATOM 0 HA ALA A 27 8.859 8.771 -6.582 1.00 14.22 H new ATOM 0 HB1 ALA A 27 6.396 8.624 -6.934 1.00 61.20 H new ATOM 0 HB2 ALA A 27 7.179 7.044 -7.174 1.00 61.20 H new ATOM 0 HB3 ALA A 27 6.296 7.380 -5.666 1.00 61.20 H new ATOM 413 N GLY A 28 8.456 9.456 -3.616 1.00 42.22 N ATOM 414 CA GLY A 28 8.332 10.513 -2.636 1.00 41.14 C ATOM 415 C GLY A 28 6.958 10.551 -1.968 1.00 44.20 C ATOM 416 O GLY A 28 6.718 11.393 -1.097 1.00 1.34 O ATOM 0 H GLY A 28 8.993 8.657 -3.280 1.00 42.22 H new ATOM 0 HA2 GLY A 28 9.098 10.383 -1.871 1.00 41.14 H new ATOM 0 HA3 GLY A 28 8.522 11.472 -3.118 1.00 41.14 H new ATOM 420 N LEU A 29 6.045 9.667 -2.384 1.00 41.13 N ATOM 421 CA LEU A 29 4.656 9.670 -1.961 1.00 41.14 C ATOM 422 C LEU A 29 4.580 9.338 -0.484 1.00 53.51 C ATOM 423 O LEU A 29 3.964 10.091 0.270 1.00 43.52 O ATOM 424 CB LEU A 29 3.806 8.709 -2.808 1.00 70.31 C ATOM 425 CG LEU A 29 3.841 9.028 -4.314 1.00 53.54 C ATOM 426 CD1 LEU A 29 2.877 8.119 -5.071 1.00 51.34 C ATOM 427 CD2 LEU A 29 3.489 10.477 -4.655 1.00 61.34 C ATOM 0 H LEU A 29 6.264 8.916 -3.039 1.00 41.13 H new ATOM 0 HA LEU A 29 4.240 10.665 -2.116 1.00 41.14 H new ATOM 0 HB2 LEU A 29 4.159 7.690 -2.652 1.00 70.31 H new ATOM 0 HB3 LEU A 29 2.774 8.746 -2.460 1.00 70.31 H new ATOM 0 HG LEU A 29 4.874 8.859 -4.617 1.00 53.54 H new ATOM 0 HD11 LEU A 29 2.913 8.356 -6.134 1.00 51.34 H new ATOM 0 HD12 LEU A 29 3.165 7.078 -4.921 1.00 51.34 H new ATOM 0 HD13 LEU A 29 1.864 8.272 -4.699 1.00 51.34 H new ATOM 0 HD21 LEU A 29 3.537 10.619 -5.735 1.00 61.34 H new ATOM 0 HD22 LEU A 29 2.481 10.699 -4.304 1.00 61.34 H new ATOM 0 HD23 LEU A 29 4.198 11.148 -4.169 1.00 61.34 H new ATOM 439 N VAL A 30 5.209 8.236 -0.068 1.00 14.22 N ATOM 440 CA VAL A 30 5.191 7.841 1.351 1.00 41.01 C ATOM 441 C VAL A 30 6.573 7.464 1.905 1.00 10.02 C ATOM 442 O VAL A 30 7.488 7.155 1.141 1.00 73.11 O ATOM 443 CB VAL A 30 4.164 6.714 1.551 1.00 30.23 C ATOM 444 CG1 VAL A 30 2.744 7.118 1.141 1.00 61.00 C ATOM 445 CG2 VAL A 30 4.514 5.490 0.720 1.00 25.44 C ATOM 0 H VAL A 30 5.730 7.607 -0.679 1.00 14.22 H new ATOM 0 HA VAL A 30 4.891 8.713 1.932 1.00 41.01 H new ATOM 0 HB VAL A 30 4.196 6.498 2.619 1.00 30.23 H new ATOM 0 HG11 VAL A 30 2.066 6.281 1.306 1.00 61.00 H new ATOM 0 HG12 VAL A 30 2.421 7.970 1.739 1.00 61.00 H new ATOM 0 HG13 VAL A 30 2.734 7.391 0.086 1.00 61.00 H new ATOM 0 HG21 VAL A 30 3.768 4.713 0.885 1.00 25.44 H new ATOM 0 HG22 VAL A 30 4.530 5.760 -0.336 1.00 25.44 H new ATOM 0 HG23 VAL A 30 5.496 5.119 1.014 1.00 25.44 H new ATOM 455 N ALA A 31 6.707 7.439 3.239 1.00 52.04 N ATOM 456 CA ALA A 31 7.842 6.869 3.967 1.00 22.10 C ATOM 457 C ALA A 31 7.469 5.472 4.471 1.00 50.12 C ATOM 458 O ALA A 31 6.285 5.198 4.695 1.00 63.30 O ATOM 459 CB ALA A 31 8.184 7.773 5.155 1.00 22.42 C ATOM 0 H ALA A 31 5.999 7.831 3.861 1.00 52.04 H new ATOM 0 HA ALA A 31 8.706 6.796 3.307 1.00 22.10 H new ATOM 0 HB1 ALA A 31 9.029 7.353 5.701 1.00 22.42 H new ATOM 0 HB2 ALA A 31 8.445 8.767 4.792 1.00 22.42 H new ATOM 0 HB3 ALA A 31 7.322 7.843 5.819 1.00 22.42 H new ATOM 465 N HIS A 32 8.455 4.598 4.710 1.00 11.23 N ATOM 466 CA HIS A 32 8.175 3.195 5.041 1.00 5.43 C ATOM 467 C HIS A 32 7.557 3.007 6.434 1.00 22.52 C ATOM 468 O HIS A 32 7.034 1.929 6.724 1.00 64.41 O ATOM 469 CB HIS A 32 9.407 2.305 4.811 1.00 45.23 C ATOM 470 CG HIS A 32 10.504 2.410 5.839 1.00 3.20 C ATOM 471 ND1 HIS A 32 10.488 1.850 7.097 1.00 23.22 N ATOM 472 CD2 HIS A 32 11.728 2.992 5.659 1.00 3.10 C ATOM 473 CE1 HIS A 32 11.653 2.145 7.694 1.00 62.31 C ATOM 474 NE2 HIS A 32 12.440 2.838 6.855 1.00 10.42 N ATOM 0 H HIS A 32 9.447 4.835 4.681 1.00 11.23 H new ATOM 0 HA HIS A 32 7.404 2.863 4.345 1.00 5.43 H new ATOM 0 HB2 HIS A 32 9.077 1.267 4.767 1.00 45.23 H new ATOM 0 HB3 HIS A 32 9.828 2.547 3.835 1.00 45.23 H new ATOM 0 HD2 HIS A 32 12.080 3.480 4.762 1.00 3.10 H new ATOM 0 HE1 HIS A 32 11.919 1.866 8.703 1.00 62.31 H new ATOM 0 HE2 HIS A 32 13.378 3.186 7.052 1.00 10.42 H new ATOM 482 N SER A 33 7.570 4.035 7.284 1.00 1.21 N ATOM 483 CA SER A 33 6.890 4.050 8.579 1.00 10.32 C ATOM 484 C SER A 33 5.823 5.154 8.654 1.00 23.44 C ATOM 485 O SER A 33 5.402 5.531 9.748 1.00 13.03 O ATOM 486 CB SER A 33 7.902 4.113 9.714 1.00 10.21 C ATOM 487 OG SER A 33 8.816 3.026 9.682 1.00 45.02 O ATOM 0 H SER A 33 8.067 4.903 7.085 1.00 1.21 H new ATOM 0 HA SER A 33 6.345 3.113 8.693 1.00 10.32 H new ATOM 0 HB2 SER A 33 8.454 5.051 9.654 1.00 10.21 H new ATOM 0 HB3 SER A 33 7.375 4.114 10.668 1.00 10.21 H new ATOM 0 HG SER A 33 9.227 2.970 8.794 1.00 45.02 H new ATOM 493 N ASP A 34 5.370 5.689 7.511 1.00 50.44 N ATOM 494 CA ASP A 34 4.204 6.582 7.515 1.00 71.13 C ATOM 495 C ASP A 34 2.937 5.796 7.857 1.00 24.31 C ATOM 496 O ASP A 34 1.987 6.339 8.410 1.00 53.21 O ATOM 497 CB ASP A 34 4.010 7.281 6.161 1.00 64.54 C ATOM 498 CG ASP A 34 3.295 8.630 6.264 1.00 71.13 C ATOM 499 OD1 ASP A 34 2.789 9.030 7.339 1.00 22.43 O ATOM 500 OD2 ASP A 34 3.376 9.374 5.266 1.00 3.22 O ATOM 0 H ASP A 34 5.782 5.524 6.593 1.00 50.44 H new ATOM 0 HA ASP A 34 4.388 7.345 8.271 1.00 71.13 H new ATOM 0 HB2 ASP A 34 4.984 7.430 5.696 1.00 64.54 H new ATOM 0 HB3 ASP A 34 3.439 6.626 5.502 1.00 64.54 H new ATOM 505 N LEU A 35 2.915 4.511 7.490 1.00 12.35 N ATOM 506 CA LEU A 35 1.775 3.624 7.628 1.00 23.33 C ATOM 507 C LEU A 35 1.661 3.190 9.083 1.00 14.44 C ATOM 508 O LEU A 35 2.630 2.694 9.657 1.00 73.21 O ATOM 509 CB LEU A 35 1.936 2.407 6.700 1.00 12.13 C ATOM 510 CG LEU A 35 1.945 2.708 5.187 1.00 43.31 C ATOM 511 CD1 LEU A 35 0.805 3.646 4.771 1.00 23.31 C ATOM 512 CD2 LEU A 35 3.290 3.241 4.664 1.00 22.25 C ATOM 0 H LEU A 35 3.725 4.051 7.074 1.00 12.35 H new ATOM 0 HA LEU A 35 0.862 4.144 7.340 1.00 23.33 H new ATOM 0 HB2 LEU A 35 2.867 1.901 6.955 1.00 12.13 H new ATOM 0 HB3 LEU A 35 1.126 1.708 6.907 1.00 12.13 H new ATOM 0 HG LEU A 35 1.786 1.738 4.717 1.00 43.31 H new ATOM 0 HD11 LEU A 35 0.856 3.826 3.697 1.00 23.31 H new ATOM 0 HD12 LEU A 35 -0.152 3.186 5.017 1.00 23.31 H new ATOM 0 HD13 LEU A 35 0.900 4.593 5.303 1.00 23.31 H new ATOM 0 HD21 LEU A 35 3.215 3.428 3.593 1.00 22.25 H new ATOM 0 HD22 LEU A 35 3.538 4.169 5.178 1.00 22.25 H new ATOM 0 HD23 LEU A 35 4.071 2.503 4.850 1.00 22.25 H new ATOM 524 N ASP A 36 0.475 3.372 9.661 1.00 51.21 N ATOM 525 CA ASP A 36 0.169 2.979 11.034 1.00 14.03 C ATOM 526 C ASP A 36 -0.202 1.496 11.014 1.00 45.50 C ATOM 527 O ASP A 36 -0.632 0.986 9.978 1.00 33.03 O ATOM 528 CB ASP A 36 -1.050 3.717 11.625 1.00 44.41 C ATOM 529 CG ASP A 36 -1.225 5.188 11.260 1.00 70.40 C ATOM 530 OD1 ASP A 36 -0.649 6.089 11.909 1.00 12.55 O ATOM 531 OD2 ASP A 36 -2.104 5.423 10.395 1.00 44.43 O ATOM 0 H ASP A 36 -0.313 3.804 9.179 1.00 51.21 H new ATOM 0 HA ASP A 36 1.044 3.215 11.640 1.00 14.03 H new ATOM 0 HB2 ASP A 36 -1.949 3.184 11.316 1.00 44.41 H new ATOM 0 HB3 ASP A 36 -0.994 3.644 12.711 1.00 44.41 H new ATOM 536 N GLU A 37 -0.201 0.854 12.180 1.00 31.43 N ATOM 537 CA GLU A 37 -0.525 -0.555 12.412 1.00 65.00 C ATOM 538 C GLU A 37 -1.783 -1.022 11.657 1.00 23.04 C ATOM 539 O GLU A 37 -1.764 -2.058 11.001 1.00 44.31 O ATOM 540 CB GLU A 37 -0.693 -0.717 13.923 1.00 3.11 C ATOM 541 CG GLU A 37 -0.735 -2.163 14.419 1.00 14.34 C ATOM 542 CD GLU A 37 -0.867 -2.137 15.942 1.00 33.42 C ATOM 543 OE1 GLU A 37 -2.011 -1.958 16.432 1.00 54.21 O ATOM 544 OE2 GLU A 37 0.168 -2.172 16.641 1.00 22.23 O ATOM 0 H GLU A 37 0.042 1.335 13.046 1.00 31.43 H new ATOM 0 HA GLU A 37 0.277 -1.184 12.026 1.00 65.00 H new ATOM 0 HB2 GLU A 37 0.128 -0.202 14.422 1.00 3.11 H new ATOM 0 HB3 GLU A 37 -1.613 -0.218 14.226 1.00 3.11 H new ATOM 0 HG2 GLU A 37 -1.575 -2.695 13.973 1.00 14.34 H new ATOM 0 HG3 GLU A 37 0.170 -2.693 14.124 1.00 14.34 H new ATOM 551 N ARG A 38 -2.853 -0.210 11.677 1.00 10.15 N ATOM 552 CA ARG A 38 -4.105 -0.454 10.952 1.00 32.42 C ATOM 553 C ARG A 38 -3.896 -0.767 9.466 1.00 73.10 C ATOM 554 O ARG A 38 -4.615 -1.598 8.906 1.00 44.22 O ATOM 555 CB ARG A 38 -5.107 0.697 11.158 1.00 51.53 C ATOM 556 CG ARG A 38 -4.452 2.076 11.044 1.00 51.20 C ATOM 557 CD ARG A 38 -5.460 3.219 10.957 1.00 3.55 C ATOM 558 NE ARG A 38 -4.766 4.517 10.868 1.00 70.40 N ATOM 559 CZ ARG A 38 -5.313 5.732 10.930 1.00 43.22 C ATOM 560 NH1 ARG A 38 -6.590 5.898 11.243 1.00 32.01 N ATOM 561 NH2 ARG A 38 -4.550 6.781 10.662 1.00 30.24 N ATOM 0 H ARG A 38 -2.868 0.657 12.214 1.00 10.15 H new ATOM 0 HA ARG A 38 -4.536 -1.356 11.386 1.00 32.42 H new ATOM 0 HB2 ARG A 38 -5.905 0.616 10.420 1.00 51.53 H new ATOM 0 HB3 ARG A 38 -5.570 0.599 12.140 1.00 51.53 H new ATOM 0 HG2 ARG A 38 -3.806 2.236 11.907 1.00 51.20 H new ATOM 0 HG3 ARG A 38 -3.814 2.095 10.160 1.00 51.20 H new ATOM 0 HD2 ARG A 38 -6.099 3.082 10.085 1.00 3.55 H new ATOM 0 HD3 ARG A 38 -6.109 3.207 11.833 1.00 3.55 H new ATOM 0 HE ARG A 38 -3.754 4.482 10.745 1.00 70.40 H new ATOM 0 HH11 ARG A 38 -7.176 5.087 11.442 1.00 32.01 H new ATOM 0 HH12 ARG A 38 -6.987 6.837 11.284 1.00 32.01 H new ATOM 0 HH21 ARG A 38 -3.569 6.649 10.415 1.00 30.24 H new ATOM 0 HH22 ARG A 38 -4.943 7.721 10.702 1.00 30.24 H new ATOM 575 N ALA A 39 -2.945 -0.098 8.822 1.00 10.31 N ATOM 576 CA ALA A 39 -2.625 -0.286 7.415 1.00 34.24 C ATOM 577 C ALA A 39 -1.665 -1.456 7.208 1.00 21.02 C ATOM 578 O ALA A 39 -1.658 -2.051 6.128 1.00 73.32 O ATOM 579 CB ALA A 39 -1.989 0.990 6.868 1.00 3.34 C ATOM 0 H ALA A 39 -2.363 0.606 9.276 1.00 10.31 H new ATOM 0 HA ALA A 39 -3.551 -0.509 6.884 1.00 34.24 H new ATOM 0 HB1 ALA A 39 -1.748 0.853 5.814 1.00 3.34 H new ATOM 0 HB2 ALA A 39 -2.688 1.820 6.976 1.00 3.34 H new ATOM 0 HB3 ALA A 39 -1.077 1.209 7.423 1.00 3.34 H new ATOM 585 N ILE A 40 -0.826 -1.766 8.195 1.00 25.25 N ATOM 586 CA ILE A 40 0.078 -2.915 8.137 1.00 21.31 C ATOM 587 C ILE A 40 -0.741 -4.214 8.175 1.00 5.55 C ATOM 588 O ILE A 40 -0.498 -5.120 7.373 1.00 23.21 O ATOM 589 CB ILE A 40 1.120 -2.863 9.270 1.00 32.55 C ATOM 590 CG1 ILE A 40 1.747 -1.474 9.473 1.00 21.25 C ATOM 591 CG2 ILE A 40 2.228 -3.888 9.001 1.00 32.53 C ATOM 592 CD1 ILE A 40 2.541 -0.896 8.298 1.00 51.14 C ATOM 0 H ILE A 40 -0.753 -1.228 9.058 1.00 25.25 H new ATOM 0 HA ILE A 40 0.634 -2.884 7.200 1.00 21.31 H new ATOM 0 HB ILE A 40 0.584 -3.100 10.189 1.00 32.55 H new ATOM 0 HG12 ILE A 40 0.949 -0.774 9.721 1.00 21.25 H new ATOM 0 HG13 ILE A 40 2.408 -1.523 10.338 1.00 21.25 H new ATOM 0 HG21 ILE A 40 2.963 -3.848 9.805 1.00 32.53 H new ATOM 0 HG22 ILE A 40 1.795 -4.887 8.954 1.00 32.53 H new ATOM 0 HG23 ILE A 40 2.714 -3.658 8.053 1.00 32.53 H new ATOM 0 HD11 ILE A 40 2.930 0.085 8.569 1.00 51.14 H new ATOM 0 HD12 ILE A 40 3.370 -1.561 8.057 1.00 51.14 H new ATOM 0 HD13 ILE A 40 1.889 -0.800 7.430 1.00 51.14 H new ATOM 604 N GLU A 41 -1.726 -4.285 9.078 1.00 51.43 N ATOM 605 CA GLU A 41 -2.681 -5.385 9.131 1.00 34.35 C ATOM 606 C GLU A 41 -3.408 -5.491 7.791 1.00 50.30 C ATOM 607 O GLU A 41 -3.482 -6.573 7.214 1.00 2.33 O ATOM 608 CB GLU A 41 -3.669 -5.149 10.289 1.00 63.34 C ATOM 609 CG GLU A 41 -4.709 -6.271 10.451 1.00 3.22 C ATOM 610 CD GLU A 41 -4.151 -7.627 10.911 1.00 14.52 C ATOM 611 OE1 GLU A 41 -3.050 -7.703 11.510 1.00 2.23 O ATOM 612 OE2 GLU A 41 -4.860 -8.644 10.720 1.00 43.44 O ATOM 0 H GLU A 41 -1.879 -3.575 9.794 1.00 51.43 H new ATOM 0 HA GLU A 41 -2.162 -6.326 9.312 1.00 34.35 H new ATOM 0 HB2 GLU A 41 -3.109 -5.048 11.218 1.00 63.34 H new ATOM 0 HB3 GLU A 41 -4.188 -4.205 10.125 1.00 63.34 H new ATOM 0 HG2 GLU A 41 -5.461 -5.945 11.169 1.00 3.22 H new ATOM 0 HG3 GLU A 41 -5.218 -6.412 9.497 1.00 3.22 H new ATOM 619 N ALA A 42 -3.921 -4.362 7.285 1.00 30.24 N ATOM 620 CA ALA A 42 -4.660 -4.337 6.034 1.00 63.03 C ATOM 621 C ALA A 42 -3.804 -4.844 4.868 1.00 4.13 C ATOM 622 O ALA A 42 -4.327 -5.551 4.018 1.00 72.44 O ATOM 623 CB ALA A 42 -5.206 -2.933 5.766 1.00 73.01 C ATOM 0 H ALA A 42 -3.832 -3.451 7.734 1.00 30.24 H new ATOM 0 HA ALA A 42 -5.507 -5.017 6.124 1.00 63.03 H new ATOM 0 HB1 ALA A 42 -5.757 -2.930 4.826 1.00 73.01 H new ATOM 0 HB2 ALA A 42 -5.872 -2.641 6.578 1.00 73.01 H new ATOM 0 HB3 ALA A 42 -4.378 -2.227 5.704 1.00 73.01 H new ATOM 629 N LEU A 43 -2.499 -4.550 4.813 1.00 3.21 N ATOM 630 CA LEU A 43 -1.625 -5.120 3.794 1.00 43.43 C ATOM 631 C LEU A 43 -1.638 -6.649 3.794 1.00 12.14 C ATOM 632 O LEU A 43 -1.832 -7.249 2.736 1.00 11.44 O ATOM 633 CB LEU A 43 -0.186 -4.610 3.961 1.00 45.20 C ATOM 634 CG LEU A 43 0.214 -3.553 2.930 1.00 74.40 C ATOM 635 CD1 LEU A 43 1.695 -3.223 3.113 1.00 51.10 C ATOM 636 CD2 LEU A 43 0.027 -4.008 1.468 1.00 31.41 C ATOM 0 H LEU A 43 -2.030 -3.920 5.464 1.00 3.21 H new ATOM 0 HA LEU A 43 -2.017 -4.790 2.832 1.00 43.43 H new ATOM 0 HB2 LEU A 43 -0.072 -4.191 4.961 1.00 45.20 H new ATOM 0 HB3 LEU A 43 0.500 -5.454 3.888 1.00 45.20 H new ATOM 0 HG LEU A 43 -0.438 -2.697 3.101 1.00 74.40 H new ATOM 0 HD11 LEU A 43 1.993 -2.470 2.383 1.00 51.10 H new ATOM 0 HD12 LEU A 43 1.860 -2.838 4.119 1.00 51.10 H new ATOM 0 HD13 LEU A 43 2.289 -4.125 2.967 1.00 51.10 H new ATOM 0 HD21 LEU A 43 0.331 -3.206 0.796 1.00 31.41 H new ATOM 0 HD22 LEU A 43 0.639 -4.890 1.281 1.00 31.41 H new ATOM 0 HD23 LEU A 43 -1.021 -4.250 1.293 1.00 31.41 H new ATOM 648 N LYS A 44 -1.423 -7.287 4.953 1.00 61.11 N ATOM 649 CA LYS A 44 -1.465 -8.744 5.068 1.00 31.04 C ATOM 650 C LYS A 44 -2.811 -9.358 4.634 1.00 61.23 C ATOM 651 O LYS A 44 -2.869 -10.573 4.442 1.00 61.01 O ATOM 652 CB LYS A 44 -1.149 -9.171 6.515 1.00 21.32 C ATOM 653 CG LYS A 44 0.258 -9.756 6.675 1.00 74.11 C ATOM 654 CD LYS A 44 1.364 -8.733 6.933 1.00 12.11 C ATOM 655 CE LYS A 44 1.304 -8.205 8.373 1.00 12.42 C ATOM 656 NZ LYS A 44 2.436 -7.317 8.698 1.00 64.24 N ATOM 0 H LYS A 44 -1.217 -6.808 5.829 1.00 61.11 H new ATOM 0 HA LYS A 44 -0.708 -9.125 4.383 1.00 31.04 H new ATOM 0 HB2 LYS A 44 -1.255 -8.309 7.173 1.00 21.32 H new ATOM 0 HB3 LYS A 44 -1.882 -9.910 6.838 1.00 21.32 H new ATOM 0 HG2 LYS A 44 0.246 -10.469 7.499 1.00 74.11 H new ATOM 0 HG3 LYS A 44 0.506 -10.315 5.773 1.00 74.11 H new ATOM 0 HD2 LYS A 44 2.336 -9.190 6.750 1.00 12.11 H new ATOM 0 HD3 LYS A 44 1.266 -7.903 6.234 1.00 12.11 H new ATOM 0 HE2 LYS A 44 0.369 -7.664 8.519 1.00 12.42 H new ATOM 0 HE3 LYS A 44 1.297 -9.047 9.065 1.00 12.42 H new ATOM 0 HZ1 LYS A 44 2.256 -6.843 9.606 1.00 64.24 H new ATOM 0 HZ2 LYS A 44 3.309 -7.878 8.768 1.00 64.24 H new ATOM 0 HZ3 LYS A 44 2.543 -6.603 7.950 1.00 64.24 H new ATOM 670 N GLU A 45 -3.903 -8.595 4.531 1.00 41.43 N ATOM 671 CA GLU A 45 -5.234 -9.162 4.322 1.00 10.33 C ATOM 672 C GLU A 45 -5.523 -9.609 2.890 1.00 72.22 C ATOM 673 O GLU A 45 -6.455 -10.395 2.690 1.00 5.41 O ATOM 674 CB GLU A 45 -6.314 -8.171 4.776 1.00 12.54 C ATOM 675 CG GLU A 45 -6.640 -8.246 6.275 1.00 4.55 C ATOM 676 CD GLU A 45 -8.128 -8.518 6.441 1.00 5.43 C ATOM 677 OE1 GLU A 45 -8.550 -9.674 6.214 1.00 72.30 O ATOM 678 OE2 GLU A 45 -8.906 -7.554 6.655 1.00 61.12 O ATOM 0 H GLU A 45 -3.888 -7.577 4.590 1.00 41.43 H new ATOM 0 HA GLU A 45 -5.255 -10.066 4.930 1.00 10.33 H new ATOM 0 HB2 GLU A 45 -5.988 -7.159 4.536 1.00 12.54 H new ATOM 0 HB3 GLU A 45 -7.225 -8.356 4.207 1.00 12.54 H new ATOM 0 HG2 GLU A 45 -6.057 -9.036 6.749 1.00 4.55 H new ATOM 0 HG3 GLU A 45 -6.370 -7.312 6.767 1.00 4.55 H new ATOM 685 N PHE A 46 -4.791 -9.104 1.902 1.00 62.43 N ATOM 686 CA PHE A 46 -5.128 -9.257 0.501 1.00 10.31 C ATOM 687 C PHE A 46 -4.398 -10.448 -0.109 1.00 14.35 C ATOM 688 O PHE A 46 -3.389 -10.933 0.406 1.00 33.32 O ATOM 689 CB PHE A 46 -4.786 -7.971 -0.255 1.00 10.52 C ATOM 690 CG PHE A 46 -5.667 -6.787 0.086 1.00 4.14 C ATOM 691 CD1 PHE A 46 -6.900 -6.610 -0.567 1.00 3.22 C ATOM 692 CD2 PHE A 46 -5.277 -5.883 1.088 1.00 52.11 C ATOM 693 CE1 PHE A 46 -7.752 -5.558 -0.196 1.00 5.53 C ATOM 694 CE2 PHE A 46 -6.134 -4.837 1.463 1.00 53.43 C ATOM 695 CZ PHE A 46 -7.370 -4.665 0.819 1.00 1.32 C ATOM 0 H PHE A 46 -3.936 -8.570 2.060 1.00 62.43 H new ATOM 0 HA PHE A 46 -6.198 -9.445 0.418 1.00 10.31 H new ATOM 0 HB2 PHE A 46 -3.749 -7.708 -0.047 1.00 10.52 H new ATOM 0 HB3 PHE A 46 -4.857 -8.164 -1.325 1.00 10.52 H new ATOM 0 HD1 PHE A 46 -7.192 -7.286 -1.357 1.00 3.22 H new ATOM 0 HD2 PHE A 46 -4.317 -5.993 1.570 1.00 52.11 H new ATOM 0 HE1 PHE A 46 -8.703 -5.435 -0.692 1.00 5.53 H new ATOM 0 HE2 PHE A 46 -5.841 -4.160 2.252 1.00 53.43 H new ATOM 0 HZ PHE A 46 -8.022 -3.852 1.102 1.00 1.32 H new ATOM 705 N ASN A 47 -4.929 -10.901 -1.238 1.00 54.10 N ATOM 706 CA ASN A 47 -4.278 -11.840 -2.152 1.00 21.45 C ATOM 707 C ASN A 47 -3.361 -11.101 -3.127 1.00 4.45 C ATOM 708 O ASN A 47 -3.293 -9.871 -3.129 1.00 73.24 O ATOM 709 CB ASN A 47 -5.300 -12.678 -2.934 1.00 32.42 C ATOM 710 CG ASN A 47 -6.040 -11.891 -4.008 1.00 65.23 C ATOM 711 OD1 ASN A 47 -5.559 -11.776 -5.133 1.00 31.22 O ATOM 712 ND2 ASN A 47 -7.189 -11.319 -3.709 1.00 31.11 N ATOM 0 H ASN A 47 -5.856 -10.617 -1.556 1.00 54.10 H new ATOM 0 HA ASN A 47 -3.681 -12.517 -1.541 1.00 21.45 H new ATOM 0 HB2 ASN A 47 -4.787 -13.519 -3.400 1.00 32.42 H new ATOM 0 HB3 ASN A 47 -6.026 -13.095 -2.236 1.00 32.42 H new ATOM 0 HD21 ASN A 47 -7.687 -10.775 -4.414 1.00 31.11 H new ATOM 0 HD22 ASN A 47 -7.581 -11.420 -2.773 1.00 31.11 H new ATOM 719 N GLU A 48 -2.694 -11.864 -3.996 1.00 65.22 N ATOM 720 CA GLU A 48 -1.657 -11.403 -4.914 1.00 32.22 C ATOM 721 C GLU A 48 -2.109 -10.260 -5.826 1.00 1.55 C ATOM 722 O GLU A 48 -1.322 -9.390 -6.184 1.00 24.34 O ATOM 723 CB GLU A 48 -1.222 -12.584 -5.808 1.00 34.05 C ATOM 724 CG GLU A 48 0.222 -12.399 -6.269 1.00 4.53 C ATOM 725 CD GLU A 48 0.453 -12.652 -7.761 1.00 1.32 C ATOM 726 OE1 GLU A 48 0.327 -13.814 -8.191 1.00 61.21 O ATOM 727 OE2 GLU A 48 0.771 -11.714 -8.523 1.00 52.40 O ATOM 0 H GLU A 48 -2.872 -12.865 -4.080 1.00 65.22 H new ATOM 0 HA GLU A 48 -0.840 -11.026 -4.298 1.00 32.22 H new ATOM 0 HB2 GLU A 48 -1.318 -13.520 -5.257 1.00 34.05 H new ATOM 0 HB3 GLU A 48 -1.881 -12.655 -6.674 1.00 34.05 H new ATOM 0 HG2 GLU A 48 0.537 -11.383 -6.033 1.00 4.53 H new ATOM 0 HG3 GLU A 48 0.861 -13.072 -5.697 1.00 4.53 H new ATOM 734 N ASP A 49 -3.362 -10.296 -6.259 1.00 64.10 N ATOM 735 CA ASP A 49 -3.972 -9.320 -7.161 1.00 5.33 C ATOM 736 C ASP A 49 -4.771 -8.300 -6.359 1.00 61.14 C ATOM 737 O ASP A 49 -4.787 -7.120 -6.695 1.00 5.31 O ATOM 738 CB ASP A 49 -4.909 -10.061 -8.105 1.00 74.13 C ATOM 739 CG ASP A 49 -5.747 -9.124 -8.963 1.00 34.42 C ATOM 740 OD1 ASP A 49 -5.216 -8.555 -9.943 1.00 3.32 O ATOM 741 OD2 ASP A 49 -6.965 -9.029 -8.676 1.00 5.35 O ATOM 0 H ASP A 49 -4.010 -11.034 -5.982 1.00 64.10 H new ATOM 0 HA ASP A 49 -3.196 -8.800 -7.723 1.00 5.33 H new ATOM 0 HB2 ASP A 49 -4.323 -10.713 -8.753 1.00 74.13 H new ATOM 0 HB3 ASP A 49 -5.571 -10.702 -7.523 1.00 74.13 H new ATOM 746 N GLY A 50 -5.387 -8.735 -5.258 1.00 4.44 N ATOM 747 CA GLY A 50 -6.145 -7.861 -4.383 1.00 23.12 C ATOM 748 C GLY A 50 -5.264 -6.742 -3.829 1.00 14.35 C ATOM 749 O GLY A 50 -5.671 -5.578 -3.815 1.00 50.54 O ATOM 0 H GLY A 50 -5.369 -9.708 -4.954 1.00 4.44 H new ATOM 0 HA2 GLY A 50 -6.984 -7.431 -4.930 1.00 23.12 H new ATOM 0 HA3 GLY A 50 -6.565 -8.440 -3.560 1.00 23.12 H new ATOM 753 N ALA A 51 -4.046 -7.094 -3.409 1.00 25.01 N ATOM 754 CA ALA A 51 -3.017 -6.165 -2.971 1.00 31.24 C ATOM 755 C ALA A 51 -2.643 -5.230 -4.118 1.00 11.31 C ATOM 756 O ALA A 51 -2.600 -4.016 -3.943 1.00 63.30 O ATOM 757 CB ALA A 51 -1.796 -6.952 -2.490 1.00 61.13 C ATOM 0 H ALA A 51 -3.745 -8.068 -3.365 1.00 25.01 H new ATOM 0 HA ALA A 51 -3.392 -5.560 -2.145 1.00 31.24 H new ATOM 0 HB1 ALA A 51 -1.022 -6.258 -2.161 1.00 61.13 H new ATOM 0 HB2 ALA A 51 -2.083 -7.597 -1.659 1.00 61.13 H new ATOM 0 HB3 ALA A 51 -1.412 -7.563 -3.307 1.00 61.13 H new ATOM 763 N LEU A 52 -2.394 -5.792 -5.299 1.00 13.52 N ATOM 764 CA LEU A 52 -1.973 -5.051 -6.479 1.00 72.30 C ATOM 765 C LEU A 52 -3.023 -4.042 -6.914 1.00 73.43 C ATOM 766 O LEU A 52 -2.659 -2.990 -7.432 1.00 45.21 O ATOM 767 CB LEU A 52 -1.654 -6.037 -7.609 1.00 65.34 C ATOM 768 CG LEU A 52 -0.151 -6.327 -7.713 1.00 14.31 C ATOM 769 CD1 LEU A 52 0.541 -6.660 -6.378 1.00 52.51 C ATOM 770 CD2 LEU A 52 0.132 -7.446 -8.709 1.00 74.34 C ATOM 0 H LEU A 52 -2.482 -6.795 -5.462 1.00 13.52 H new ATOM 0 HA LEU A 52 -1.076 -4.484 -6.232 1.00 72.30 H new ATOM 0 HB2 LEU A 52 -2.192 -6.970 -7.439 1.00 65.34 H new ATOM 0 HB3 LEU A 52 -2.011 -5.631 -8.556 1.00 65.34 H new ATOM 0 HG LEU A 52 0.275 -5.386 -8.061 1.00 14.31 H new ATOM 0 HD11 LEU A 52 1.600 -6.849 -6.554 1.00 52.51 H new ATOM 0 HD12 LEU A 52 0.432 -5.820 -5.692 1.00 52.51 H new ATOM 0 HD13 LEU A 52 0.082 -7.547 -5.941 1.00 52.51 H new ATOM 0 HD21 LEU A 52 1.206 -7.626 -8.758 1.00 74.34 H new ATOM 0 HD22 LEU A 52 -0.374 -8.356 -8.387 1.00 74.34 H new ATOM 0 HD23 LEU A 52 -0.233 -7.157 -9.694 1.00 74.34 H new ATOM 782 N ALA A 53 -4.312 -4.304 -6.692 1.00 3.11 N ATOM 783 CA ALA A 53 -5.321 -3.296 -6.975 1.00 50.20 C ATOM 784 C ALA A 53 -5.206 -2.097 -6.024 1.00 11.22 C ATOM 785 O ALA A 53 -5.260 -0.955 -6.477 1.00 33.44 O ATOM 786 CB ALA A 53 -6.701 -3.936 -6.929 1.00 43.11 C ATOM 0 H ALA A 53 -4.671 -5.186 -6.326 1.00 3.11 H new ATOM 0 HA ALA A 53 -5.157 -2.901 -7.978 1.00 50.20 H new ATOM 0 HB1 ALA A 53 -7.459 -3.182 -7.141 1.00 43.11 H new ATOM 0 HB2 ALA A 53 -6.759 -4.729 -7.675 1.00 43.11 H new ATOM 0 HB3 ALA A 53 -6.874 -4.356 -5.938 1.00 43.11 H new ATOM 792 N VAL A 54 -4.987 -2.335 -4.724 1.00 2.53 N ATOM 793 CA VAL A 54 -4.746 -1.261 -3.756 1.00 43.31 C ATOM 794 C VAL A 54 -3.569 -0.402 -4.240 1.00 42.24 C ATOM 795 O VAL A 54 -3.631 0.824 -4.151 1.00 4.22 O ATOM 796 CB VAL A 54 -4.523 -1.848 -2.337 1.00 50.54 C ATOM 797 CG1 VAL A 54 -4.169 -0.802 -1.272 1.00 64.42 C ATOM 798 CG2 VAL A 54 -5.756 -2.606 -1.819 1.00 52.41 C ATOM 0 H VAL A 54 -4.972 -3.270 -4.318 1.00 2.53 H new ATOM 0 HA VAL A 54 -5.621 -0.614 -3.684 1.00 43.31 H new ATOM 0 HB VAL A 54 -3.676 -2.520 -2.475 1.00 50.54 H new ATOM 0 HG11 VAL A 54 -4.030 -1.295 -0.310 1.00 64.42 H new ATOM 0 HG12 VAL A 54 -3.248 -0.292 -1.555 1.00 64.42 H new ATOM 0 HG13 VAL A 54 -4.977 -0.075 -1.193 1.00 64.42 H new ATOM 0 HG21 VAL A 54 -5.550 -2.998 -0.823 1.00 52.41 H new ATOM 0 HG22 VAL A 54 -6.608 -1.927 -1.773 1.00 52.41 H new ATOM 0 HG23 VAL A 54 -5.986 -3.431 -2.493 1.00 52.41 H new ATOM 808 N LEU A 55 -2.510 -1.020 -4.773 1.00 65.02 N ATOM 809 CA LEU A 55 -1.318 -0.311 -5.229 1.00 34.03 C ATOM 810 C LEU A 55 -1.623 0.484 -6.488 1.00 72.01 C ATOM 811 O LEU A 55 -1.355 1.683 -6.510 1.00 1.22 O ATOM 812 CB LEU A 55 -0.138 -1.267 -5.466 1.00 53.33 C ATOM 813 CG LEU A 55 0.306 -2.044 -4.216 1.00 22.25 C ATOM 814 CD1 LEU A 55 1.578 -2.831 -4.529 1.00 41.50 C ATOM 815 CD2 LEU A 55 0.552 -1.138 -3.006 1.00 45.34 C ATOM 0 H LEU A 55 -2.459 -2.031 -4.899 1.00 65.02 H new ATOM 0 HA LEU A 55 -1.024 0.379 -4.438 1.00 34.03 H new ATOM 0 HB2 LEU A 55 -0.413 -1.979 -6.244 1.00 53.33 H new ATOM 0 HB3 LEU A 55 0.709 -0.694 -5.843 1.00 53.33 H new ATOM 0 HG LEU A 55 -0.509 -2.718 -3.952 1.00 22.25 H new ATOM 0 HD11 LEU A 55 1.893 -3.382 -3.643 1.00 41.50 H new ATOM 0 HD12 LEU A 55 1.382 -3.531 -5.341 1.00 41.50 H new ATOM 0 HD13 LEU A 55 2.368 -2.142 -4.827 1.00 41.50 H new ATOM 0 HD21 LEU A 55 0.863 -1.744 -2.155 1.00 45.34 H new ATOM 0 HD22 LEU A 55 1.335 -0.418 -3.244 1.00 45.34 H new ATOM 0 HD23 LEU A 55 -0.366 -0.606 -2.757 1.00 45.34 H new ATOM 827 N GLN A 56 -2.212 -0.153 -7.504 1.00 43.40 N ATOM 828 CA GLN A 56 -2.451 0.470 -8.803 1.00 21.32 C ATOM 829 C GLN A 56 -3.415 1.656 -8.713 1.00 10.25 C ATOM 830 O GLN A 56 -3.404 2.515 -9.595 1.00 44.14 O ATOM 831 CB GLN A 56 -2.865 -0.600 -9.832 1.00 41.43 C ATOM 832 CG GLN A 56 -4.366 -0.900 -9.943 1.00 1.25 C ATOM 833 CD GLN A 56 -4.635 -2.222 -10.663 1.00 74.44 C ATOM 834 OE1 GLN A 56 -5.345 -2.275 -11.669 1.00 41.20 O ATOM 835 NE2 GLN A 56 -4.106 -3.332 -10.170 1.00 4.21 N ATOM 0 H GLN A 56 -2.536 -1.118 -7.446 1.00 43.40 H new ATOM 0 HA GLN A 56 -1.519 0.909 -9.159 1.00 21.32 H new ATOM 0 HB2 GLN A 56 -2.506 -0.287 -10.813 1.00 41.43 H new ATOM 0 HB3 GLN A 56 -2.349 -1.528 -9.585 1.00 41.43 H new ATOM 0 HG2 GLN A 56 -4.803 -0.935 -8.945 1.00 1.25 H new ATOM 0 HG3 GLN A 56 -4.859 -0.089 -10.479 1.00 1.25 H new ATOM 0 HE21 GLN A 56 -3.518 -3.291 -9.338 1.00 4.21 H new ATOM 0 HE22 GLN A 56 -4.287 -4.228 -10.623 1.00 4.21 H new ATOM 844 N GLN A 57 -4.224 1.727 -7.650 1.00 2.14 N ATOM 845 CA GLN A 57 -5.051 2.892 -7.369 1.00 30.25 C ATOM 846 C GLN A 57 -4.278 3.926 -6.539 1.00 64.23 C ATOM 847 O GLN A 57 -4.398 5.115 -6.799 1.00 34.03 O ATOM 848 CB GLN A 57 -6.350 2.422 -6.697 1.00 62.10 C ATOM 849 CG GLN A 57 -7.471 3.475 -6.728 1.00 11.21 C ATOM 850 CD GLN A 57 -8.860 2.833 -6.655 1.00 23.11 C ATOM 851 OE1 GLN A 57 -9.504 2.612 -7.683 1.00 44.34 O ATOM 852 NE2 GLN A 57 -9.357 2.538 -5.464 1.00 42.34 N ATOM 0 H GLN A 57 -4.319 0.977 -6.965 1.00 2.14 H new ATOM 0 HA GLN A 57 -5.317 3.402 -8.295 1.00 30.25 H new ATOM 0 HB2 GLN A 57 -6.699 1.516 -7.192 1.00 62.10 H new ATOM 0 HB3 GLN A 57 -6.139 2.158 -5.661 1.00 62.10 H new ATOM 0 HG2 GLN A 57 -7.345 4.164 -5.893 1.00 11.21 H new ATOM 0 HG3 GLN A 57 -7.391 4.064 -7.642 1.00 11.21 H new ATOM 0 HE21 GLN A 57 -8.812 2.727 -4.623 1.00 42.34 H new ATOM 0 HE22 GLN A 57 -10.285 2.122 -5.388 1.00 42.34 H new ATOM 861 N PHE A 58 -3.478 3.500 -5.556 1.00 43.14 N ATOM 862 CA PHE A 58 -2.810 4.396 -4.614 1.00 33.33 C ATOM 863 C PHE A 58 -1.580 5.100 -5.204 1.00 52.44 C ATOM 864 O PHE A 58 -1.331 6.264 -4.886 1.00 74.13 O ATOM 865 CB PHE A 58 -2.439 3.592 -3.365 1.00 71.10 C ATOM 866 CG PHE A 58 -1.821 4.404 -2.249 1.00 50.30 C ATOM 867 CD1 PHE A 58 -2.577 5.389 -1.587 1.00 73.24 C ATOM 868 CD2 PHE A 58 -0.503 4.142 -1.837 1.00 12.13 C ATOM 869 CE1 PHE A 58 -2.015 6.102 -0.516 1.00 54.33 C ATOM 870 CE2 PHE A 58 0.063 4.858 -0.770 1.00 14.52 C ATOM 871 CZ PHE A 58 -0.692 5.841 -0.113 1.00 2.51 C ATOM 0 H PHE A 58 -3.276 2.514 -5.393 1.00 43.14 H new ATOM 0 HA PHE A 58 -3.503 5.199 -4.362 1.00 33.33 H new ATOM 0 HB2 PHE A 58 -3.336 3.102 -2.986 1.00 71.10 H new ATOM 0 HB3 PHE A 58 -1.742 2.804 -3.651 1.00 71.10 H new ATOM 0 HD1 PHE A 58 -3.589 5.596 -1.903 1.00 73.24 H new ATOM 0 HD2 PHE A 58 0.078 3.386 -2.344 1.00 12.13 H new ATOM 0 HE1 PHE A 58 -2.598 6.851 -0.001 1.00 54.33 H new ATOM 0 HE2 PHE A 58 1.076 4.653 -0.456 1.00 14.52 H new ATOM 0 HZ PHE A 58 -0.257 6.398 0.703 1.00 2.51 H new ATOM 881 N LYS A 59 -0.793 4.443 -6.067 1.00 10.22 N ATOM 882 CA LYS A 59 0.266 5.104 -6.849 1.00 71.24 C ATOM 883 C LYS A 59 -0.352 6.215 -7.693 1.00 30.25 C ATOM 884 O LYS A 59 0.258 7.266 -7.868 1.00 43.14 O ATOM 885 CB LYS A 59 0.957 4.077 -7.747 1.00 44.13 C ATOM 886 CG LYS A 59 2.101 4.622 -8.627 1.00 34.14 C ATOM 887 CD LYS A 59 3.522 4.586 -8.041 1.00 52.34 C ATOM 888 CE LYS A 59 3.954 5.825 -7.234 1.00 70.32 C ATOM 889 NZ LYS A 59 4.272 6.954 -8.144 1.00 62.03 N ATOM 0 H LYS A 59 -0.870 3.441 -6.244 1.00 10.22 H new ATOM 0 HA LYS A 59 1.007 5.537 -6.177 1.00 71.24 H new ATOM 0 HB2 LYS A 59 1.355 3.281 -7.118 1.00 44.13 H new ATOM 0 HB3 LYS A 59 0.207 3.626 -8.396 1.00 44.13 H new ATOM 0 HG2 LYS A 59 2.107 4.058 -9.560 1.00 34.14 H new ATOM 0 HG3 LYS A 59 1.867 5.656 -8.881 1.00 34.14 H new ATOM 0 HD2 LYS A 59 3.605 3.711 -7.397 1.00 52.34 H new ATOM 0 HD3 LYS A 59 4.227 4.447 -8.860 1.00 52.34 H new ATOM 0 HE2 LYS A 59 3.158 6.116 -6.549 1.00 70.32 H new ATOM 0 HE3 LYS A 59 4.826 5.584 -6.626 1.00 70.32 H new ATOM 0 HZ1 LYS A 59 4.479 7.805 -7.583 1.00 62.03 H new ATOM 0 HZ2 LYS A 59 5.101 6.711 -8.723 1.00 62.03 H new ATOM 0 HZ3 LYS A 59 3.459 7.139 -8.765 1.00 62.03 H new ATOM 903 N ASP A 60 -1.547 5.950 -8.210 1.00 10.51 N ATOM 904 CA ASP A 60 -2.299 6.769 -9.148 1.00 25.15 C ATOM 905 C ASP A 60 -3.096 7.878 -8.439 1.00 11.31 C ATOM 906 O ASP A 60 -3.835 8.623 -9.086 1.00 13.15 O ATOM 907 CB ASP A 60 -3.188 5.801 -9.942 1.00 24.14 C ATOM 908 CG ASP A 60 -3.848 6.403 -11.173 1.00 32.44 C ATOM 909 OD1 ASP A 60 -3.125 6.932 -12.047 1.00 71.10 O ATOM 910 OD2 ASP A 60 -5.078 6.216 -11.310 1.00 63.14 O ATOM 0 H ASP A 60 -2.049 5.096 -7.966 1.00 10.51 H new ATOM 0 HA ASP A 60 -1.635 7.310 -9.822 1.00 25.15 H new ATOM 0 HB2 ASP A 60 -2.585 4.947 -10.251 1.00 24.14 H new ATOM 0 HB3 ASP A 60 -3.966 5.419 -9.281 1.00 24.14 H new ATOM 915 N SER A 61 -2.989 8.004 -7.111 1.00 12.14 N ATOM 916 CA SER A 61 -3.593 9.081 -6.334 1.00 51.24 C ATOM 917 C SER A 61 -2.737 10.344 -6.350 1.00 63.11 C ATOM 918 O SER A 61 -1.505 10.312 -6.417 1.00 50.10 O ATOM 919 CB SER A 61 -3.816 8.608 -4.893 1.00 44.43 C ATOM 920 OG SER A 61 -4.553 7.405 -4.813 1.00 65.22 O ATOM 0 H SER A 61 -2.467 7.342 -6.538 1.00 12.14 H new ATOM 0 HA SER A 61 -4.549 9.334 -6.792 1.00 51.24 H new ATOM 0 HB2 SER A 61 -2.849 8.468 -4.409 1.00 44.43 H new ATOM 0 HB3 SER A 61 -4.340 9.386 -4.338 1.00 44.43 H new ATOM 0 HG SER A 61 -4.279 6.805 -5.537 1.00 65.22 H new ATOM 926 N ASP A 62 -3.426 11.468 -6.195 1.00 31.45 N ATOM 927 CA ASP A 62 -2.920 12.831 -6.254 1.00 73.42 C ATOM 928 C ASP A 62 -2.328 13.209 -4.889 1.00 51.24 C ATOM 929 O ASP A 62 -2.730 14.188 -4.262 1.00 50.43 O ATOM 930 CB ASP A 62 -4.087 13.760 -6.621 1.00 65.04 C ATOM 931 CG ASP A 62 -4.642 13.554 -8.025 1.00 54.50 C ATOM 932 OD1 ASP A 62 -4.115 14.136 -8.995 1.00 32.21 O ATOM 933 OD2 ASP A 62 -5.678 12.863 -8.164 1.00 50.54 O ATOM 0 H ASP A 62 -4.429 11.447 -6.011 1.00 31.45 H new ATOM 0 HA ASP A 62 -2.135 12.924 -7.005 1.00 73.42 H new ATOM 0 HB2 ASP A 62 -4.892 13.613 -5.901 1.00 65.04 H new ATOM 0 HB3 ASP A 62 -3.756 14.794 -6.523 1.00 65.04 H new ATOM 938 N LEU A 63 -1.401 12.405 -4.366 1.00 74.12 N ATOM 939 CA LEU A 63 -1.018 12.437 -2.949 1.00 25.15 C ATOM 940 C LEU A 63 -0.191 13.661 -2.532 1.00 63.40 C ATOM 941 O LEU A 63 0.167 13.759 -1.357 1.00 62.22 O ATOM 942 CB LEU A 63 -0.275 11.149 -2.552 1.00 43.42 C ATOM 943 CG LEU A 63 -1.093 9.865 -2.749 1.00 21.14 C ATOM 944 CD1 LEU A 63 -0.253 8.650 -2.349 1.00 44.22 C ATOM 945 CD2 LEU A 63 -2.412 9.893 -1.965 1.00 22.43 C ATOM 0 H LEU A 63 -0.892 11.711 -4.913 1.00 74.12 H new ATOM 0 HA LEU A 63 -1.962 12.513 -2.409 1.00 25.15 H new ATOM 0 HB2 LEU A 63 0.641 11.076 -3.138 1.00 43.42 H new ATOM 0 HB3 LEU A 63 0.021 11.221 -1.505 1.00 43.42 H new ATOM 0 HG LEU A 63 -1.354 9.794 -3.805 1.00 21.14 H new ATOM 0 HD11 LEU A 63 -0.838 7.741 -2.490 1.00 44.22 H new ATOM 0 HD12 LEU A 63 0.642 8.606 -2.970 1.00 44.22 H new ATOM 0 HD13 LEU A 63 0.036 8.736 -1.302 1.00 44.22 H new ATOM 0 HD21 LEU A 63 -2.956 8.964 -2.135 1.00 22.43 H new ATOM 0 HD22 LEU A 63 -2.201 10.000 -0.901 1.00 22.43 H new ATOM 0 HD23 LEU A 63 -3.017 10.735 -2.301 1.00 22.43 H new ATOM 957 N SER A 64 0.131 14.585 -3.439 1.00 33.01 N ATOM 958 CA SER A 64 0.891 15.789 -3.129 1.00 12.35 C ATOM 959 C SER A 64 0.176 16.612 -2.050 1.00 62.30 C ATOM 960 O SER A 64 0.720 16.786 -0.959 1.00 24.11 O ATOM 961 CB SER A 64 1.168 16.585 -4.414 1.00 13.54 C ATOM 962 OG SER A 64 1.686 15.713 -5.408 1.00 11.54 O ATOM 0 H SER A 64 -0.134 14.514 -4.421 1.00 33.01 H new ATOM 0 HA SER A 64 1.861 15.515 -2.714 1.00 12.35 H new ATOM 0 HB2 SER A 64 0.250 17.054 -4.769 1.00 13.54 H new ATOM 0 HB3 SER A 64 1.878 17.387 -4.212 1.00 13.54 H new ATOM 0 HG SER A 64 1.861 16.220 -6.228 1.00 11.54 H new ATOM 968 N HIS A 65 -1.058 17.058 -2.292 1.00 61.00 N ATOM 969 CA HIS A 65 -1.864 17.812 -1.337 1.00 65.31 C ATOM 970 C HIS A 65 -2.604 16.858 -0.392 1.00 30.03 C ATOM 971 O HIS A 65 -3.827 16.927 -0.257 1.00 42.13 O ATOM 972 CB HIS A 65 -2.839 18.753 -2.061 1.00 30.31 C ATOM 973 CG HIS A 65 -2.213 19.685 -3.065 1.00 44.23 C ATOM 974 ND1 HIS A 65 -2.479 19.693 -4.414 1.00 34.05 N ATOM 975 CD2 HIS A 65 -1.277 20.653 -2.820 1.00 1.24 C ATOM 976 CE1 HIS A 65 -1.702 20.624 -4.981 1.00 32.01 C ATOM 977 NE2 HIS A 65 -0.956 21.245 -4.049 1.00 24.14 N ATOM 0 H HIS A 65 -1.534 16.900 -3.180 1.00 61.00 H new ATOM 0 HA HIS A 65 -1.198 18.432 -0.737 1.00 65.31 H new ATOM 0 HB2 HIS A 65 -3.590 18.149 -2.570 1.00 30.31 H new ATOM 0 HB3 HIS A 65 -3.363 19.350 -1.314 1.00 30.31 H new ATOM 0 HD2 HIS A 65 -0.862 20.913 -1.857 1.00 1.24 H new ATOM 0 HE1 HIS A 65 -1.677 20.846 -6.038 1.00 32.01 H new ATOM 0 HE2 HIS A 65 -0.288 21.999 -4.206 1.00 24.14 H new ATOM 985 N VAL A 66 -1.880 15.946 0.251 1.00 5.22 N ATOM 986 CA VAL A 66 -2.388 15.097 1.324 1.00 31.12 C ATOM 987 C VAL A 66 -1.358 15.142 2.442 1.00 62.03 C ATOM 988 O VAL A 66 -0.222 14.735 2.218 1.00 4.52 O ATOM 989 CB VAL A 66 -2.604 13.644 0.839 1.00 14.54 C ATOM 990 CG1 VAL A 66 -3.039 12.747 2.012 1.00 11.54 C ATOM 991 CG2 VAL A 66 -3.637 13.550 -0.293 1.00 22.33 C ATOM 0 H VAL A 66 -0.898 15.773 0.034 1.00 5.22 H new ATOM 0 HA VAL A 66 -3.358 15.456 1.667 1.00 31.12 H new ATOM 0 HB VAL A 66 -1.649 13.298 0.443 1.00 14.54 H new ATOM 0 HG11 VAL A 66 -3.187 11.728 1.655 1.00 11.54 H new ATOM 0 HG12 VAL A 66 -2.267 12.754 2.781 1.00 11.54 H new ATOM 0 HG13 VAL A 66 -3.972 13.124 2.432 1.00 11.54 H new ATOM 0 HG21 VAL A 66 -3.751 12.509 -0.596 1.00 22.33 H new ATOM 0 HG22 VAL A 66 -4.596 13.933 0.057 1.00 22.33 H new ATOM 0 HG23 VAL A 66 -3.299 14.141 -1.144 1.00 22.33 H new ATOM 1001 N GLN A 67 -1.724 15.576 3.650 1.00 73.43 N ATOM 1002 CA GLN A 67 -0.830 15.417 4.786 1.00 73.14 C ATOM 1003 C GLN A 67 -0.896 13.977 5.293 1.00 30.42 C ATOM 1004 O GLN A 67 0.148 13.329 5.399 1.00 30.32 O ATOM 1005 CB GLN A 67 -1.124 16.452 5.884 1.00 63.42 C ATOM 1006 CG GLN A 67 0.129 16.738 6.729 1.00 43.30 C ATOM 1007 CD GLN A 67 0.279 15.897 8.000 1.00 65.00 C ATOM 1008 OE1 GLN A 67 0.161 16.407 9.111 1.00 30.31 O ATOM 1009 NE2 GLN A 67 0.592 14.615 7.903 1.00 1.44 N ATOM 0 H GLN A 67 -2.613 16.029 3.859 1.00 73.43 H new ATOM 0 HA GLN A 67 0.194 15.610 4.467 1.00 73.14 H new ATOM 0 HB2 GLN A 67 -1.478 17.377 5.430 1.00 63.42 H new ATOM 0 HB3 GLN A 67 -1.924 16.086 6.528 1.00 63.42 H new ATOM 0 HG2 GLN A 67 1.009 16.581 6.105 1.00 43.30 H new ATOM 0 HG3 GLN A 67 0.122 17.791 7.011 1.00 43.30 H new ATOM 0 HE21 GLN A 67 0.692 14.183 6.985 1.00 1.44 H new ATOM 0 HE22 GLN A 67 0.733 14.059 8.747 1.00 1.44 H new ATOM 1018 N ASN A 68 -2.093 13.493 5.649 1.00 11.53 N ATOM 1019 CA ASN A 68 -2.318 12.196 6.293 1.00 33.13 C ATOM 1020 C ASN A 68 -2.216 11.063 5.275 1.00 61.01 C ATOM 1021 O ASN A 68 -3.219 10.452 4.900 1.00 62.11 O ATOM 1022 CB ASN A 68 -3.688 12.169 6.998 1.00 53.32 C ATOM 1023 CG ASN A 68 -3.643 12.795 8.376 1.00 25.42 C ATOM 1024 OD1 ASN A 68 -3.970 13.967 8.550 1.00 14.53 O ATOM 1025 ND2 ASN A 68 -3.228 12.023 9.363 1.00 71.10 N ATOM 0 H ASN A 68 -2.957 14.011 5.491 1.00 11.53 H new ATOM 0 HA ASN A 68 -1.543 12.051 7.045 1.00 33.13 H new ATOM 0 HB2 ASN A 68 -4.419 12.698 6.386 1.00 53.32 H new ATOM 0 HB3 ASN A 68 -4.030 11.137 7.082 1.00 53.32 H new ATOM 0 HD21 ASN A 68 -3.170 12.394 10.311 1.00 71.10 H new ATOM 0 HD22 ASN A 68 -2.966 11.055 9.178 1.00 71.10 H new ATOM 1032 N LYS A 69 -0.996 10.760 4.829 1.00 51.54 N ATOM 1033 CA LYS A 69 -0.780 9.756 3.793 1.00 42.12 C ATOM 1034 C LYS A 69 -1.343 8.389 4.191 1.00 52.40 C ATOM 1035 O LYS A 69 -1.899 7.667 3.360 1.00 43.33 O ATOM 1036 CB LYS A 69 0.714 9.568 3.510 1.00 4.54 C ATOM 1037 CG LYS A 69 1.563 10.809 3.224 1.00 11.41 C ATOM 1038 CD LYS A 69 1.069 11.688 2.071 1.00 34.32 C ATOM 1039 CE LYS A 69 2.257 12.564 1.653 1.00 5.24 C ATOM 1040 NZ LYS A 69 1.908 13.728 0.818 1.00 73.20 N ATOM 0 H LYS A 69 -0.141 11.199 5.172 1.00 51.54 H new ATOM 0 HA LYS A 69 -1.298 10.125 2.908 1.00 42.12 H new ATOM 0 HB2 LYS A 69 1.152 9.056 4.367 1.00 4.54 H new ATOM 0 HB3 LYS A 69 0.808 8.897 2.656 1.00 4.54 H new ATOM 0 HG2 LYS A 69 1.607 11.416 4.129 1.00 11.41 H new ATOM 0 HG3 LYS A 69 2.582 10.489 3.005 1.00 11.41 H new ATOM 0 HD2 LYS A 69 0.725 11.077 1.237 1.00 34.32 H new ATOM 0 HD3 LYS A 69 0.225 12.302 2.385 1.00 34.32 H new ATOM 0 HE2 LYS A 69 2.762 12.918 2.552 1.00 5.24 H new ATOM 0 HE3 LYS A 69 2.971 11.946 1.109 1.00 5.24 H new ATOM 0 HZ1 LYS A 69 2.778 14.211 0.515 1.00 73.20 H new ATOM 0 HZ2 LYS A 69 1.379 13.409 -0.019 1.00 73.20 H new ATOM 0 HZ3 LYS A 69 1.320 14.386 1.368 1.00 73.20 H new ATOM 1054 N SER A 70 -1.176 8.057 5.466 1.00 10.34 N ATOM 1055 CA SER A 70 -1.460 6.781 6.099 1.00 11.22 C ATOM 1056 C SER A 70 -2.959 6.535 6.035 1.00 1.34 C ATOM 1057 O SER A 70 -3.412 5.514 5.523 1.00 70.22 O ATOM 1058 CB SER A 70 -0.962 6.805 7.557 1.00 14.11 C ATOM 1059 OG SER A 70 -0.052 7.866 7.803 1.00 13.25 O ATOM 0 H SER A 70 -0.808 8.732 6.136 1.00 10.34 H new ATOM 0 HA SER A 70 -0.944 5.972 5.582 1.00 11.22 H new ATOM 0 HB2 SER A 70 -1.816 6.900 8.228 1.00 14.11 H new ATOM 0 HB3 SER A 70 -0.479 5.856 7.788 1.00 14.11 H new ATOM 0 HG SER A 70 0.738 7.519 8.268 1.00 13.25 H new ATOM 1065 N ALA A 71 -3.734 7.519 6.508 1.00 74.34 N ATOM 1066 CA ALA A 71 -5.183 7.447 6.505 1.00 5.41 C ATOM 1067 C ALA A 71 -5.717 7.296 5.081 1.00 44.32 C ATOM 1068 O ALA A 71 -6.658 6.535 4.859 1.00 63.23 O ATOM 1069 CB ALA A 71 -5.774 8.679 7.195 1.00 21.43 C ATOM 0 H ALA A 71 -3.364 8.384 6.902 1.00 74.34 H new ATOM 0 HA ALA A 71 -5.491 6.564 7.065 1.00 5.41 H new ATOM 0 HB1 ALA A 71 -6.862 8.614 7.187 1.00 21.43 H new ATOM 0 HB2 ALA A 71 -5.421 8.723 8.225 1.00 21.43 H new ATOM 0 HB3 ALA A 71 -5.460 9.578 6.665 1.00 21.43 H new ATOM 1075 N PHE A 72 -5.085 7.965 4.109 1.00 50.52 N ATOM 1076 CA PHE A 72 -5.494 7.863 2.710 1.00 14.25 C ATOM 1077 C PHE A 72 -5.322 6.419 2.236 1.00 45.11 C ATOM 1078 O PHE A 72 -6.247 5.828 1.680 1.00 51.51 O ATOM 1079 CB PHE A 72 -4.702 8.860 1.846 1.00 11.21 C ATOM 1080 CG PHE A 72 -5.250 9.111 0.448 1.00 74.43 C ATOM 1081 CD1 PHE A 72 -5.277 8.085 -0.520 1.00 24.45 C ATOM 1082 CD2 PHE A 72 -5.697 10.398 0.091 1.00 52.34 C ATOM 1083 CE1 PHE A 72 -5.734 8.344 -1.822 1.00 64.34 C ATOM 1084 CE2 PHE A 72 -6.142 10.660 -1.217 1.00 42.40 C ATOM 1085 CZ PHE A 72 -6.152 9.636 -2.178 1.00 41.54 C ATOM 0 H PHE A 72 -4.289 8.582 4.269 1.00 50.52 H new ATOM 0 HA PHE A 72 -6.547 8.126 2.610 1.00 14.25 H new ATOM 0 HB2 PHE A 72 -4.657 9.813 2.374 1.00 11.21 H new ATOM 0 HB3 PHE A 72 -3.678 8.498 1.754 1.00 11.21 H new ATOM 0 HD1 PHE A 72 -4.943 7.092 -0.257 1.00 24.45 H new ATOM 0 HD2 PHE A 72 -5.698 11.189 0.827 1.00 52.34 H new ATOM 0 HE1 PHE A 72 -5.764 7.548 -2.551 1.00 64.34 H new ATOM 0 HE2 PHE A 72 -6.477 11.652 -1.483 1.00 42.40 H new ATOM 0 HZ PHE A 72 -6.480 9.842 -3.186 1.00 41.54 H new ATOM 1095 N LEU A 73 -4.142 5.834 2.469 1.00 43.34 N ATOM 1096 CA LEU A 73 -3.807 4.476 2.046 1.00 42.40 C ATOM 1097 C LEU A 73 -4.775 3.489 2.671 1.00 34.34 C ATOM 1098 O LEU A 73 -5.365 2.646 1.992 1.00 25.13 O ATOM 1099 CB LEU A 73 -2.363 4.169 2.472 1.00 65.24 C ATOM 1100 CG LEU A 73 -1.888 2.716 2.249 1.00 10.33 C ATOM 1101 CD1 LEU A 73 -2.243 1.860 3.460 1.00 1.32 C ATOM 1102 CD2 LEU A 73 -2.259 2.133 0.878 1.00 32.23 C ATOM 0 H LEU A 73 -3.383 6.301 2.965 1.00 43.34 H new ATOM 0 HA LEU A 73 -3.887 4.389 0.962 1.00 42.40 H new ATOM 0 HB2 LEU A 73 -1.695 4.837 1.928 1.00 65.24 H new ATOM 0 HB3 LEU A 73 -2.259 4.406 3.531 1.00 65.24 H new ATOM 0 HG LEU A 73 -0.800 2.717 2.186 1.00 10.33 H new ATOM 0 HD11 LEU A 73 -1.905 0.837 3.294 1.00 1.32 H new ATOM 0 HD12 LEU A 73 -1.755 2.264 4.347 1.00 1.32 H new ATOM 0 HD13 LEU A 73 -3.323 1.866 3.605 1.00 1.32 H new ATOM 0 HD21 LEU A 73 -1.888 1.111 0.805 1.00 32.23 H new ATOM 0 HD22 LEU A 73 -3.343 2.135 0.763 1.00 32.23 H new ATOM 0 HD23 LEU A 73 -1.810 2.739 0.091 1.00 32.23 H new ATOM 1114 N CYS A 74 -4.912 3.585 3.989 1.00 12.52 N ATOM 1115 CA CYS A 74 -5.755 2.686 4.752 1.00 45.23 C ATOM 1116 C CYS A 74 -7.203 2.767 4.226 1.00 33.45 C ATOM 1117 O CYS A 74 -7.866 1.741 4.069 1.00 72.11 O ATOM 1118 CB CYS A 74 -5.632 3.040 6.241 1.00 22.02 C ATOM 1119 SG CYS A 74 -5.865 1.553 7.244 1.00 5.53 S ATOM 0 H CYS A 74 -4.439 4.290 4.554 1.00 12.52 H new ATOM 0 HA CYS A 74 -5.437 1.650 4.635 1.00 45.23 H new ATOM 0 HB2 CYS A 74 -4.653 3.475 6.441 1.00 22.02 H new ATOM 0 HB3 CYS A 74 -6.376 3.791 6.509 1.00 22.02 H new ATOM 0 HG CYS A 74 -5.356 1.742 8.425 1.00 5.53 H new ATOM 1125 N GLY A 75 -7.662 3.966 3.853 1.00 10.21 N ATOM 1126 CA GLY A 75 -8.934 4.191 3.184 1.00 42.20 C ATOM 1127 C GLY A 75 -9.054 3.445 1.849 1.00 3.12 C ATOM 1128 O GLY A 75 -10.075 2.800 1.599 1.00 3.53 O ATOM 0 H GLY A 75 -7.139 4.827 4.016 1.00 10.21 H new ATOM 0 HA2 GLY A 75 -9.744 3.877 3.842 1.00 42.20 H new ATOM 0 HA3 GLY A 75 -9.061 5.259 3.009 1.00 42.20 H new ATOM 1132 N VAL A 76 -8.027 3.467 0.991 1.00 71.41 N ATOM 1133 CA VAL A 76 -8.041 2.684 -0.252 1.00 31.05 C ATOM 1134 C VAL A 76 -8.193 1.187 0.082 1.00 4.33 C ATOM 1135 O VAL A 76 -8.964 0.480 -0.566 1.00 65.20 O ATOM 1136 CB VAL A 76 -6.812 3.001 -1.140 1.00 61.03 C ATOM 1137 CG1 VAL A 76 -6.816 2.196 -2.447 1.00 34.25 C ATOM 1138 CG2 VAL A 76 -6.769 4.488 -1.533 1.00 33.13 C ATOM 0 H VAL A 76 -7.179 4.016 1.133 1.00 71.41 H new ATOM 0 HA VAL A 76 -8.905 2.970 -0.852 1.00 31.05 H new ATOM 0 HB VAL A 76 -5.944 2.733 -0.537 1.00 61.03 H new ATOM 0 HG11 VAL A 76 -5.935 2.453 -3.035 1.00 34.25 H new ATOM 0 HG12 VAL A 76 -6.801 1.130 -2.218 1.00 34.25 H new ATOM 0 HG13 VAL A 76 -7.714 2.432 -3.017 1.00 34.25 H new ATOM 0 HG21 VAL A 76 -5.894 4.675 -2.156 1.00 33.13 H new ATOM 0 HG22 VAL A 76 -7.671 4.744 -2.089 1.00 33.13 H new ATOM 0 HG23 VAL A 76 -6.711 5.101 -0.633 1.00 33.13 H new ATOM 1148 N MET A 77 -7.541 0.684 1.136 1.00 42.24 N ATOM 1149 CA MET A 77 -7.707 -0.718 1.530 1.00 30.24 C ATOM 1150 C MET A 77 -9.156 -1.014 1.938 1.00 64.10 C ATOM 1151 O MET A 77 -9.666 -2.104 1.661 1.00 71.42 O ATOM 1152 CB MET A 77 -6.753 -1.107 2.667 1.00 70.12 C ATOM 1153 CG MET A 77 -5.300 -0.719 2.383 1.00 44.41 C ATOM 1154 SD MET A 77 -4.100 -2.061 2.514 1.00 10.53 S ATOM 1155 CE MET A 77 -2.580 -1.091 2.450 1.00 42.54 C ATOM 0 H MET A 77 -6.902 1.219 1.724 1.00 42.24 H new ATOM 0 HA MET A 77 -7.459 -1.321 0.657 1.00 30.24 H new ATOM 0 HB2 MET A 77 -7.079 -0.626 3.589 1.00 70.12 H new ATOM 0 HB3 MET A 77 -6.811 -2.183 2.831 1.00 70.12 H new ATOM 0 HG2 MET A 77 -5.243 -0.301 1.378 1.00 44.41 H new ATOM 0 HG3 MET A 77 -5.011 0.072 3.075 1.00 44.41 H new ATOM 0 HE1 MET A 77 -1.908 -1.517 1.705 1.00 42.54 H new ATOM 0 HE2 MET A 77 -2.816 -0.062 2.179 1.00 42.54 H new ATOM 0 HE3 MET A 77 -2.096 -1.107 3.427 1.00 42.54 H new ATOM 1165 N LYS A 78 -9.837 -0.054 2.575 1.00 65.34 N ATOM 1166 CA LYS A 78 -11.220 -0.226 3.003 1.00 3.55 C ATOM 1167 C LYS A 78 -12.145 -0.436 1.817 1.00 30.25 C ATOM 1168 O LYS A 78 -13.013 -1.304 1.897 1.00 33.33 O ATOM 1169 CB LYS A 78 -11.718 0.959 3.845 1.00 61.31 C ATOM 1170 CG LYS A 78 -11.394 0.801 5.336 1.00 62.32 C ATOM 1171 CD LYS A 78 -12.328 1.648 6.211 1.00 3.54 C ATOM 1172 CE LYS A 78 -13.797 1.205 6.105 1.00 53.42 C ATOM 1173 NZ LYS A 78 -14.040 -0.169 6.589 1.00 23.22 N ATOM 0 H LYS A 78 -9.442 0.858 2.805 1.00 65.34 H new ATOM 0 HA LYS A 78 -11.238 -1.118 3.629 1.00 3.55 H new ATOM 0 HB2 LYS A 78 -11.266 1.879 3.474 1.00 61.31 H new ATOM 0 HB3 LYS A 78 -12.796 1.061 3.720 1.00 61.31 H new ATOM 0 HG2 LYS A 78 -11.482 -0.248 5.619 1.00 62.32 H new ATOM 0 HG3 LYS A 78 -10.360 1.094 5.517 1.00 62.32 H new ATOM 0 HD2 LYS A 78 -12.006 1.582 7.250 1.00 3.54 H new ATOM 0 HD3 LYS A 78 -12.245 2.695 5.918 1.00 3.54 H new ATOM 0 HE2 LYS A 78 -14.418 1.896 6.675 1.00 53.42 H new ATOM 0 HE3 LYS A 78 -14.114 1.275 5.065 1.00 53.42 H new ATOM 0 HZ1 LYS A 78 -15.060 -0.369 6.567 1.00 23.22 H new ATOM 0 HZ2 LYS A 78 -13.541 -0.846 5.977 1.00 23.22 H new ATOM 0 HZ3 LYS A 78 -13.690 -0.261 7.564 1.00 23.22 H new ATOM 1187 N THR A 79 -12.038 0.354 0.749 1.00 51.43 N ATOM 1188 CA THR A 79 -12.862 0.092 -0.427 1.00 71.32 C ATOM 1189 C THR A 79 -12.498 -1.289 -0.974 1.00 71.10 C ATOM 1190 O THR A 79 -13.391 -2.104 -1.163 1.00 21.23 O ATOM 1191 CB THR A 79 -12.807 1.246 -1.459 1.00 5.35 C ATOM 1192 OG1 THR A 79 -13.375 0.878 -2.697 1.00 25.44 O ATOM 1193 CG2 THR A 79 -11.420 1.787 -1.795 1.00 63.14 C ATOM 0 H THR A 79 -11.411 1.155 0.674 1.00 51.43 H new ATOM 0 HA THR A 79 -13.917 0.065 -0.152 1.00 71.32 H new ATOM 0 HB THR A 79 -13.370 2.024 -0.943 1.00 5.35 H new ATOM 0 HG1 THR A 79 -13.322 1.634 -3.319 1.00 25.44 H new ATOM 0 HG21 THR A 79 -11.510 2.590 -2.527 1.00 63.14 H new ATOM 0 HG22 THR A 79 -10.951 2.172 -0.890 1.00 63.14 H new ATOM 0 HG23 THR A 79 -10.807 0.986 -2.209 1.00 63.14 H new ATOM 1201 N TYR A 80 -11.220 -1.632 -1.149 1.00 73.13 N ATOM 1202 CA TYR A 80 -10.909 -2.869 -1.859 1.00 25.23 C ATOM 1203 C TYR A 80 -11.390 -4.155 -1.169 1.00 64.14 C ATOM 1204 O TYR A 80 -11.760 -5.097 -1.874 1.00 13.24 O ATOM 1205 CB TYR A 80 -9.425 -2.934 -2.193 1.00 14.14 C ATOM 1206 CG TYR A 80 -9.139 -2.218 -3.491 1.00 21.44 C ATOM 1207 CD1 TYR A 80 -9.646 -2.744 -4.694 1.00 2.21 C ATOM 1208 CD2 TYR A 80 -8.423 -1.013 -3.495 1.00 23.14 C ATOM 1209 CE1 TYR A 80 -9.422 -2.076 -5.907 1.00 14.25 C ATOM 1210 CE2 TYR A 80 -8.154 -0.364 -4.708 1.00 2.41 C ATOM 1211 CZ TYR A 80 -8.658 -0.890 -5.918 1.00 63.43 C ATOM 1212 OH TYR A 80 -8.399 -0.253 -7.086 1.00 45.13 O ATOM 0 H TYR A 80 -10.416 -1.095 -0.824 1.00 73.13 H new ATOM 0 HA TYR A 80 -11.487 -2.827 -2.782 1.00 25.23 H new ATOM 0 HB2 TYR A 80 -8.846 -2.483 -1.388 1.00 14.14 H new ATOM 0 HB3 TYR A 80 -9.109 -3.975 -2.268 1.00 14.14 H new ATOM 0 HD1 TYR A 80 -10.210 -3.665 -4.683 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -8.079 -0.585 -2.565 1.00 23.14 H new ATOM 0 HE1 TYR A 80 -9.832 -2.467 -6.827 1.00 14.25 H new ATOM 0 HE2 TYR A 80 -7.561 0.539 -4.717 1.00 2.41 H new ATOM 0 HH TYR A 80 -9.134 -0.410 -7.714 1.00 45.13 H new ATOM 1222 N ARG A 81 -11.428 -4.223 0.171 1.00 13.52 N ATOM 1223 CA ARG A 81 -12.102 -5.344 0.851 1.00 34.15 C ATOM 1224 C ARG A 81 -13.622 -5.188 0.859 1.00 23.41 C ATOM 1225 O ARG A 81 -14.329 -6.192 0.911 1.00 25.43 O ATOM 1226 CB ARG A 81 -11.619 -5.539 2.302 1.00 70.32 C ATOM 1227 CG ARG A 81 -10.430 -6.510 2.420 1.00 24.34 C ATOM 1228 CD ARG A 81 -10.466 -7.290 3.745 1.00 72.10 C ATOM 1229 NE ARG A 81 -11.540 -8.306 3.771 1.00 24.33 N ATOM 1230 CZ ARG A 81 -11.861 -9.067 4.829 1.00 74.32 C ATOM 1231 NH1 ARG A 81 -11.274 -8.903 6.005 1.00 41.44 N ATOM 1232 NH2 ARG A 81 -12.797 -10.005 4.738 1.00 64.33 N ATOM 0 H ARG A 81 -11.011 -3.533 0.795 1.00 13.52 H new ATOM 0 HA ARG A 81 -11.833 -6.226 0.270 1.00 34.15 H new ATOM 0 HB2 ARG A 81 -11.333 -4.572 2.716 1.00 70.32 H new ATOM 0 HB3 ARG A 81 -12.446 -5.912 2.906 1.00 70.32 H new ATOM 0 HG2 ARG A 81 -10.447 -7.210 1.584 1.00 24.34 H new ATOM 0 HG3 ARG A 81 -9.496 -5.953 2.350 1.00 24.34 H new ATOM 0 HD2 ARG A 81 -9.504 -7.778 3.903 1.00 72.10 H new ATOM 0 HD3 ARG A 81 -10.609 -6.593 4.570 1.00 72.10 H new ATOM 0 HE ARG A 81 -12.080 -8.439 2.916 1.00 24.33 H new ATOM 0 HH11 ARG A 81 -10.559 -8.185 6.123 1.00 41.44 H new ATOM 0 HH12 ARG A 81 -11.537 -9.495 6.793 1.00 41.44 H new ATOM 0 HH21 ARG A 81 -13.284 -10.156 3.854 1.00 64.33 H new ATOM 0 HH22 ARG A 81 -13.029 -10.575 5.552 1.00 64.33 H new ATOM 1246 N GLN A 82 -14.143 -3.964 0.858 1.00 30.22 N ATOM 1247 CA GLN A 82 -15.557 -3.669 1.041 1.00 32.11 C ATOM 1248 C GLN A 82 -16.024 -2.741 -0.080 1.00 61.40 C ATOM 1249 O GLN A 82 -16.101 -1.514 0.064 1.00 41.33 O ATOM 1250 CB GLN A 82 -15.800 -3.143 2.467 1.00 74.33 C ATOM 1251 CG GLN A 82 -16.445 -4.234 3.334 1.00 10.23 C ATOM 1252 CD GLN A 82 -16.661 -3.767 4.769 1.00 5.31 C ATOM 1253 OE1 GLN A 82 -15.746 -3.802 5.596 1.00 12.11 O ATOM 1254 NE2 GLN A 82 -17.856 -3.325 5.108 1.00 41.34 N ATOM 0 H GLN A 82 -13.575 -3.127 0.726 1.00 30.22 H new ATOM 0 HA GLN A 82 -16.168 -4.568 0.960 1.00 32.11 H new ATOM 0 HB2 GLN A 82 -14.856 -2.827 2.911 1.00 74.33 H new ATOM 0 HB3 GLN A 82 -16.446 -2.266 2.433 1.00 74.33 H new ATOM 0 HG2 GLN A 82 -17.401 -4.525 2.899 1.00 10.23 H new ATOM 0 HG3 GLN A 82 -15.811 -5.121 3.332 1.00 10.23 H new ATOM 0 HE21 GLN A 82 -18.606 -3.300 4.417 1.00 41.34 H new ATOM 0 HE22 GLN A 82 -18.031 -3.008 6.062 1.00 41.34 H new