USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 22 ASN : amide:sc= 0.0826 K(o=-0.052,f=-4.3!) USER MOD Set 1.2: A 26 GLN : amide:sc= -0.135 K(o=-0.052,f=-3.1) USER MOD Set 2.1: A 16 SER OG : rot 77:sc= -1.29! USER MOD Set 2.2: A 44 HIS : no HE2:sc= -4.29 K(o=-5.6,f=-9.3!) USER MOD Single : A 1 GLY N :NH3+ -166:sc= 0 (180deg=-0.061) USER MOD Single : A 4 SER OG : rot 111:sc= 0.00881 USER MOD Single : A 5 MET CE :methyl 157:sc= -3.09 (180deg=-4.96!) USER MOD Single : A 6 SER OG : rot -64:sc= 0.607 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 14 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.04) USER MOD Single : A 27 HIS : no HD1:sc= -0.445 X(o=-0.44,f=-0.27) USER MOD Single : A 28 SER OG : rot 31:sc= 0.118 USER MOD Single : A 52 CYS SG : rot -22:sc= 0.00363 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.52) USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= -0.537 (180deg=-1.79!) USER MOD Single : A 67 SER OG : rot -55:sc= 0.497 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc=-0.00277 (180deg=-0.119) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.188 -8.201 -2.250 1.00 64.54 N ATOM 2 CA GLY A 1 -7.678 -7.899 -3.610 1.00 63.31 C ATOM 3 C GLY A 1 -6.562 -8.839 -4.030 1.00 45.41 C ATOM 4 O GLY A 1 -5.385 -8.515 -3.864 1.00 52.30 O ATOM 0 H1 GLY A 1 -9.089 -7.704 -2.099 1.00 64.54 H new ATOM 0 H2 GLY A 1 -8.338 -9.226 -2.155 1.00 64.54 H new ATOM 0 H3 GLY A 1 -7.495 -7.885 -1.541 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -8.497 -7.968 -4.326 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -7.315 -6.872 -3.639 1.00 63.31 H new ATOM 10 N PRO A 2 -6.900 -10.030 -4.566 1.00 71.21 N ATOM 11 CA PRO A 2 -5.913 -10.999 -5.039 1.00 1.44 C ATOM 12 C PRO A 2 -5.393 -10.638 -6.432 1.00 72.44 C ATOM 13 O PRO A 2 -6.154 -10.176 -7.286 1.00 54.42 O ATOM 14 CB PRO A 2 -6.693 -12.336 -5.075 1.00 51.43 C ATOM 15 CG PRO A 2 -8.083 -12.019 -4.599 1.00 23.45 C ATOM 16 CD PRO A 2 -8.264 -10.535 -4.764 1.00 11.23 C ATOM 0 HA PRO A 2 -5.032 -11.036 -4.398 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -6.711 -12.750 -6.083 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -6.221 -13.080 -4.433 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -8.826 -12.567 -5.179 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -8.212 -12.312 -3.557 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -8.653 -10.280 -5.750 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -8.960 -10.126 -4.031 1.00 11.23 H new ATOM 24 N GLY A 3 -4.103 -10.846 -6.653 1.00 40.44 N ATOM 25 CA GLY A 3 -3.509 -10.558 -7.945 1.00 52.53 C ATOM 26 C GLY A 3 -3.878 -11.597 -8.986 1.00 44.43 C ATOM 27 O GLY A 3 -3.117 -12.539 -9.230 1.00 41.21 O ATOM 0 H GLY A 3 -3.453 -11.211 -5.957 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -3.836 -9.575 -8.283 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -2.425 -10.516 -7.844 1.00 52.53 H new ATOM 31 N SER A 4 -5.053 -11.434 -9.587 1.00 41.10 N ATOM 32 CA SER A 4 -5.541 -12.357 -10.607 1.00 64.44 C ATOM 33 C SER A 4 -4.804 -12.146 -11.930 1.00 54.20 C ATOM 34 O SER A 4 -3.988 -11.228 -12.058 1.00 10.33 O ATOM 35 CB SER A 4 -7.052 -12.163 -10.796 1.00 64.41 C ATOM 36 OG SER A 4 -7.365 -10.807 -11.072 1.00 10.53 O ATOM 0 H SER A 4 -5.690 -10.664 -9.383 1.00 41.10 H new ATOM 0 HA SER A 4 -5.350 -13.378 -10.277 1.00 64.44 H new ATOM 0 HB2 SER A 4 -7.403 -12.793 -11.613 1.00 64.41 H new ATOM 0 HB3 SER A 4 -7.578 -12.485 -9.897 1.00 64.41 H new ATOM 0 HG SER A 4 -7.669 -10.724 -12.000 1.00 10.53 H new ATOM 42 N MET A 5 -5.085 -13.008 -12.903 1.00 31.34 N ATOM 43 CA MET A 5 -4.496 -12.890 -14.231 1.00 4.33 C ATOM 44 C MET A 5 -5.194 -11.799 -15.037 1.00 34.52 C ATOM 45 O MET A 5 -4.597 -10.773 -15.363 1.00 40.22 O ATOM 46 CB MET A 5 -4.574 -14.227 -14.978 1.00 72.43 C ATOM 47 CG MET A 5 -3.679 -15.310 -14.387 1.00 13.45 C ATOM 48 SD MET A 5 -3.142 -16.496 -15.629 1.00 24.43 S ATOM 49 CE MET A 5 -2.441 -15.366 -16.833 1.00 72.00 C ATOM 0 H MET A 5 -5.720 -13.799 -12.795 1.00 31.34 H new ATOM 0 HA MET A 5 -3.448 -12.617 -14.111 1.00 4.33 H new ATOM 0 HB2 MET A 5 -5.606 -14.577 -14.972 1.00 72.43 H new ATOM 0 HB3 MET A 5 -4.298 -14.068 -16.020 1.00 72.43 H new ATOM 0 HG2 MET A 5 -2.806 -14.847 -13.927 1.00 13.45 H new ATOM 0 HG3 MET A 5 -4.217 -15.833 -13.596 1.00 13.45 H new ATOM 0 HE1 MET A 5 -1.717 -15.897 -17.452 1.00 72.00 H new ATOM 0 HE2 MET A 5 -3.236 -14.968 -17.464 1.00 72.00 H new ATOM 0 HE3 MET A 5 -1.944 -14.546 -16.316 1.00 72.00 H new ATOM 59 N SER A 6 -6.468 -12.022 -15.330 1.00 74.20 N ATOM 60 CA SER A 6 -7.246 -11.097 -16.139 1.00 0.11 C ATOM 61 C SER A 6 -7.861 -9.997 -15.280 1.00 25.10 C ATOM 62 O SER A 6 -8.381 -10.262 -14.191 1.00 15.20 O ATOM 63 CB SER A 6 -8.348 -11.866 -16.878 1.00 43.50 C ATOM 64 OG SER A 6 -7.804 -12.964 -17.600 1.00 53.04 O ATOM 0 H SER A 6 -6.987 -12.842 -15.016 1.00 74.20 H new ATOM 0 HA SER A 6 -6.581 -10.625 -16.862 1.00 0.11 H new ATOM 0 HB2 SER A 6 -9.088 -12.226 -16.163 1.00 43.50 H new ATOM 0 HB3 SER A 6 -8.867 -11.196 -17.564 1.00 43.50 H new ATOM 0 HG SER A 6 -7.204 -12.631 -18.300 1.00 53.04 H new ATOM 70 N ILE A 7 -7.769 -8.765 -15.765 1.00 31.23 N ATOM 71 CA ILE A 7 -8.469 -7.640 -15.167 1.00 15.14 C ATOM 72 C ILE A 7 -9.705 -7.340 -16.007 1.00 55.21 C ATOM 73 O ILE A 7 -9.615 -7.302 -17.238 1.00 65.33 O ATOM 74 CB ILE A 7 -7.569 -6.378 -15.087 1.00 4.15 C ATOM 75 CG1 ILE A 7 -6.322 -6.657 -14.228 1.00 23.20 C ATOM 76 CG2 ILE A 7 -8.354 -5.186 -14.539 1.00 34.01 C ATOM 77 CD1 ILE A 7 -6.630 -7.041 -12.791 1.00 34.15 C ATOM 0 H ILE A 7 -7.208 -8.520 -16.581 1.00 31.23 H new ATOM 0 HA ILE A 7 -8.749 -7.904 -14.147 1.00 15.14 H new ATOM 0 HB ILE A 7 -7.239 -6.128 -16.095 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -5.747 -7.459 -14.691 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -5.689 -5.770 -14.228 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -7.703 -4.313 -14.492 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -9.199 -4.974 -15.195 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -8.720 -5.420 -13.539 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -5.698 -7.221 -12.255 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -7.177 -6.232 -12.307 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -7.236 -7.947 -12.778 1.00 34.15 H new ATOM 89 N ASN A 8 -10.848 -7.140 -15.345 1.00 54.12 N ATOM 90 CA ASN A 8 -12.133 -6.956 -16.031 1.00 25.44 C ATOM 91 C ASN A 8 -12.581 -8.279 -16.671 1.00 50.11 C ATOM 92 O ASN A 8 -11.767 -9.181 -16.874 1.00 64.43 O ATOM 93 CB ASN A 8 -12.043 -5.842 -17.102 1.00 20.10 C ATOM 94 CG ASN A 8 -11.785 -4.460 -16.518 1.00 43.15 C ATOM 95 OD1 ASN A 8 -12.235 -4.141 -15.415 1.00 32.04 O ATOM 96 ND2 ASN A 8 -11.062 -3.628 -17.255 1.00 53.11 N ATOM 0 H ASN A 8 -10.911 -7.101 -14.328 1.00 54.12 H new ATOM 0 HA ASN A 8 -12.873 -6.649 -15.292 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -11.245 -6.086 -17.803 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -12.972 -5.820 -17.671 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -10.861 -2.688 -16.914 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -10.707 -3.928 -18.163 1.00 53.11 H new ATOM 103 N PRO A 9 -13.887 -8.432 -16.980 1.00 24.42 N ATOM 104 CA PRO A 9 -14.400 -9.651 -17.627 1.00 34.30 C ATOM 105 C PRO A 9 -13.757 -9.890 -18.998 1.00 64.14 C ATOM 106 O PRO A 9 -13.791 -11.001 -19.531 1.00 71.44 O ATOM 107 CB PRO A 9 -15.914 -9.386 -17.760 1.00 41.24 C ATOM 108 CG PRO A 9 -16.063 -7.905 -17.633 1.00 53.41 C ATOM 109 CD PRO A 9 -14.965 -7.461 -16.705 1.00 62.43 C ATOM 0 HA PRO A 9 -14.173 -10.548 -17.052 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -16.293 -9.739 -18.719 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -16.475 -9.907 -16.984 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -15.975 -7.418 -18.604 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -17.043 -7.643 -17.233 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -14.650 -6.438 -16.912 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -15.280 -7.492 -15.662 1.00 62.43 H new ATOM 117 N PHE A 10 -13.165 -8.839 -19.557 1.00 40.41 N ATOM 118 CA PHE A 10 -12.510 -8.914 -20.856 1.00 31.52 C ATOM 119 C PHE A 10 -11.006 -8.705 -20.701 1.00 72.32 C ATOM 120 O PHE A 10 -10.557 -7.605 -20.375 1.00 51.11 O ATOM 121 CB PHE A 10 -13.085 -7.854 -21.808 1.00 3.43 C ATOM 122 CG PHE A 10 -14.556 -8.025 -22.099 1.00 33.53 C ATOM 123 CD1 PHE A 10 -15.516 -7.471 -21.260 1.00 51.51 C ATOM 124 CD2 PHE A 10 -14.981 -8.742 -23.210 1.00 15.31 C ATOM 125 CE1 PHE A 10 -16.862 -7.628 -21.524 1.00 54.40 C ATOM 126 CE2 PHE A 10 -16.326 -8.901 -23.476 1.00 50.24 C ATOM 127 CZ PHE A 10 -17.268 -8.343 -22.631 1.00 35.42 C ATOM 0 H PHE A 10 -13.126 -7.916 -19.124 1.00 40.41 H new ATOM 0 HA PHE A 10 -12.692 -9.903 -21.277 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -12.923 -6.866 -21.376 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -12.533 -7.886 -22.747 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -15.205 -6.911 -20.391 1.00 51.51 H new ATOM 0 HD2 PHE A 10 -14.250 -9.180 -23.874 1.00 15.31 H new ATOM 0 HE1 PHE A 10 -17.597 -7.191 -20.864 1.00 54.40 H new ATOM 0 HE2 PHE A 10 -16.643 -9.461 -24.344 1.00 50.24 H new ATOM 0 HZ PHE A 10 -18.321 -8.467 -22.838 1.00 35.42 H new ATOM 137 N ASP A 11 -10.233 -9.761 -20.923 1.00 1.54 N ATOM 138 CA ASP A 11 -8.776 -9.662 -20.898 1.00 3.31 C ATOM 139 C ASP A 11 -8.314 -8.943 -22.165 1.00 75.40 C ATOM 140 O ASP A 11 -7.901 -9.572 -23.144 1.00 13.31 O ATOM 141 CB ASP A 11 -8.133 -11.056 -20.799 1.00 60.33 C ATOM 142 CG ASP A 11 -6.632 -11.006 -20.532 1.00 70.42 C ATOM 143 OD1 ASP A 11 -5.863 -10.662 -21.458 1.00 15.20 O ATOM 144 OD2 ASP A 11 -6.212 -11.338 -19.404 1.00 63.02 O ATOM 0 H ASP A 11 -10.589 -10.696 -21.122 1.00 1.54 H new ATOM 0 HA ASP A 11 -8.465 -9.096 -20.020 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -8.619 -11.618 -20.001 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -8.313 -11.599 -21.727 1.00 60.33 H new ATOM 149 N ASP A 12 -8.448 -7.621 -22.156 1.00 41.24 N ATOM 150 CA ASP A 12 -8.172 -6.800 -23.335 1.00 42.44 C ATOM 151 C ASP A 12 -7.406 -5.537 -22.927 1.00 73.54 C ATOM 152 O ASP A 12 -7.447 -4.512 -23.608 1.00 63.12 O ATOM 153 CB ASP A 12 -9.498 -6.451 -24.038 1.00 5.22 C ATOM 154 CG ASP A 12 -9.317 -6.073 -25.500 1.00 31.25 C ATOM 155 OD1 ASP A 12 -8.649 -6.833 -26.233 1.00 43.52 O ATOM 156 OD2 ASP A 12 -9.860 -5.032 -25.929 1.00 14.35 O ATOM 0 H ASP A 12 -8.749 -7.089 -21.339 1.00 41.24 H new ATOM 0 HA ASP A 12 -7.548 -7.356 -24.035 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -10.174 -7.304 -23.970 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -9.975 -5.624 -23.512 1.00 5.22 H new ATOM 161 N ASP A 13 -6.670 -5.665 -21.821 1.00 11.11 N ATOM 162 CA ASP A 13 -5.870 -4.576 -21.231 1.00 23.12 C ATOM 163 C ASP A 13 -4.834 -4.042 -22.218 1.00 30.54 C ATOM 164 O ASP A 13 -4.329 -2.924 -22.088 1.00 12.41 O ATOM 165 CB ASP A 13 -5.161 -5.122 -19.984 1.00 74.53 C ATOM 166 CG ASP A 13 -4.231 -4.120 -19.312 1.00 12.31 C ATOM 167 OD1 ASP A 13 -3.054 -4.027 -19.718 1.00 73.14 O ATOM 168 OD2 ASP A 13 -4.647 -3.453 -18.342 1.00 60.13 O ATOM 0 H ASP A 13 -6.608 -6.539 -21.298 1.00 11.11 H new ATOM 0 HA ASP A 13 -6.533 -3.750 -20.972 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -5.912 -5.445 -19.263 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -4.586 -6.005 -20.263 1.00 74.53 H new ATOM 173 N ASN A 14 -4.551 -4.851 -23.222 1.00 10.01 N ATOM 174 CA ASN A 14 -3.502 -4.566 -24.204 1.00 44.32 C ATOM 175 C ASN A 14 -3.838 -3.377 -25.118 1.00 62.12 C ATOM 176 O ASN A 14 -3.177 -3.180 -26.142 1.00 31.00 O ATOM 177 CB ASN A 14 -3.222 -5.817 -25.054 1.00 31.51 C ATOM 178 CG ASN A 14 -4.427 -6.274 -25.862 1.00 23.43 C ATOM 179 OD1 ASN A 14 -4.629 -5.844 -26.999 1.00 1.41 O ATOM 180 ND2 ASN A 14 -5.227 -7.162 -25.289 1.00 73.33 N ATOM 0 H ASN A 14 -5.040 -5.731 -23.387 1.00 10.01 H new ATOM 0 HA ASN A 14 -2.612 -4.289 -23.640 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -2.395 -5.609 -25.733 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -2.902 -6.628 -24.400 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.043 -7.513 -25.791 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -5.027 -7.495 -24.346 1.00 73.33 H new ATOM 187 N GLY A 15 -4.838 -2.578 -24.751 1.00 55.21 N ATOM 188 CA GLY A 15 -5.180 -1.394 -25.529 1.00 55.10 C ATOM 189 C GLY A 15 -4.714 -0.109 -24.865 1.00 5.11 C ATOM 190 O GLY A 15 -4.737 0.956 -25.479 1.00 2.02 O ATOM 0 H GLY A 15 -5.420 -2.729 -23.927 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -4.731 -1.471 -26.519 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -6.260 -1.355 -25.671 1.00 55.10 H new ATOM 194 N SER A 16 -4.276 -0.217 -23.616 1.00 4.14 N ATOM 195 CA SER A 16 -3.907 0.949 -22.817 1.00 63.44 C ATOM 196 C SER A 16 -2.573 1.571 -23.259 1.00 71.32 C ATOM 197 O SER A 16 -1.626 0.855 -23.596 1.00 2.12 O ATOM 198 CB SER A 16 -3.777 0.540 -21.345 1.00 1.03 C ATOM 199 OG SER A 16 -4.844 -0.290 -20.927 1.00 70.32 O ATOM 0 H SER A 16 -4.167 -1.107 -23.130 1.00 4.14 H new ATOM 0 HA SER A 16 -4.693 1.690 -22.958 1.00 63.44 H new ATOM 0 HB2 SER A 16 -2.832 0.017 -21.197 1.00 1.03 H new ATOM 0 HB3 SER A 16 -3.748 1.434 -20.722 1.00 1.03 H new ATOM 0 HG SER A 16 -4.704 -1.199 -21.266 1.00 70.32 H new ATOM 205 N PHE A 17 -2.511 2.911 -23.264 1.00 33.31 N ATOM 206 CA PHE A 17 -1.223 3.620 -23.231 1.00 3.42 C ATOM 207 C PHE A 17 -0.526 3.396 -21.891 1.00 71.15 C ATOM 208 O PHE A 17 -0.832 2.443 -21.169 1.00 4.05 O ATOM 209 CB PHE A 17 -1.393 5.126 -23.494 1.00 25.25 C ATOM 210 CG PHE A 17 -1.867 5.967 -22.324 1.00 23.11 C ATOM 211 CD1 PHE A 17 -2.809 5.493 -21.424 1.00 74.21 C ATOM 212 CD2 PHE A 17 -1.360 7.248 -22.137 1.00 3.25 C ATOM 213 CE1 PHE A 17 -3.233 6.277 -20.366 1.00 70.22 C ATOM 214 CE2 PHE A 17 -1.782 8.034 -21.084 1.00 25.21 C ATOM 215 CZ PHE A 17 -2.719 7.549 -20.197 1.00 45.40 C ATOM 0 H PHE A 17 -3.329 3.520 -23.290 1.00 33.31 H new ATOM 0 HA PHE A 17 -0.604 3.211 -24.030 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -0.437 5.523 -23.835 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.101 5.252 -24.314 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -3.216 4.501 -21.550 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -0.624 7.634 -22.827 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -3.966 5.895 -19.671 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -1.379 9.028 -20.955 1.00 25.21 H new ATOM 0 HZ PHE A 17 -3.051 8.162 -19.372 1.00 45.40 H new ATOM 225 N PHE A 18 0.382 4.293 -21.540 1.00 10.51 N ATOM 226 CA PHE A 18 1.293 4.075 -20.440 1.00 50.04 C ATOM 227 C PHE A 18 1.149 5.191 -19.432 1.00 10.14 C ATOM 228 O PHE A 18 1.055 6.369 -19.785 1.00 64.22 O ATOM 229 CB PHE A 18 2.730 4.044 -20.963 1.00 0.03 C ATOM 230 CG PHE A 18 3.148 5.294 -21.706 1.00 53.34 C ATOM 231 CD1 PHE A 18 2.772 5.490 -23.030 1.00 61.11 C ATOM 232 CD2 PHE A 18 3.914 6.266 -21.082 1.00 52.42 C ATOM 233 CE1 PHE A 18 3.154 6.631 -23.711 1.00 74.44 C ATOM 234 CE2 PHE A 18 4.297 7.407 -21.762 1.00 42.02 C ATOM 235 CZ PHE A 18 3.915 7.590 -23.076 1.00 11.54 C ATOM 0 H PHE A 18 0.504 5.189 -22.012 1.00 10.51 H new ATOM 0 HA PHE A 18 1.059 3.123 -19.963 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.407 3.891 -20.123 1.00 0.03 H new ATOM 0 HB3 PHE A 18 2.845 3.186 -21.625 1.00 0.03 H new ATOM 0 HD1 PHE A 18 2.175 4.743 -23.532 1.00 61.11 H new ATOM 0 HD2 PHE A 18 4.215 6.131 -20.054 1.00 52.42 H new ATOM 0 HE1 PHE A 18 2.857 6.771 -24.740 1.00 74.44 H new ATOM 0 HE2 PHE A 18 4.896 8.156 -21.265 1.00 42.02 H new ATOM 0 HZ PHE A 18 4.212 8.483 -23.606 1.00 11.54 H new ATOM 245 N VAL A 19 1.115 4.798 -18.169 1.00 64.01 N ATOM 246 CA VAL A 19 0.727 5.694 -17.095 1.00 61.04 C ATOM 247 C VAL A 19 1.681 5.532 -15.923 1.00 43.40 C ATOM 248 O VAL A 19 1.982 4.407 -15.510 1.00 52.44 O ATOM 249 CB VAL A 19 -0.725 5.418 -16.612 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.196 6.508 -15.652 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.695 5.271 -17.789 1.00 2.33 C ATOM 0 H VAL A 19 1.354 3.855 -17.862 1.00 64.01 H new ATOM 0 HA VAL A 19 0.771 6.712 -17.481 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.716 4.469 -16.075 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.214 6.293 -15.328 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.538 6.537 -14.784 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -1.173 7.473 -16.158 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.699 5.079 -17.411 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.697 6.190 -18.375 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.379 4.439 -18.419 1.00 2.33 H new ATOM 261 N LEU A 20 2.162 6.649 -15.406 1.00 71.33 N ATOM 262 CA LEU A 20 3.089 6.653 -14.287 1.00 52.24 C ATOM 263 C LEU A 20 2.511 7.431 -13.111 1.00 2.41 C ATOM 264 O LEU A 20 1.799 8.421 -13.296 1.00 61.32 O ATOM 265 CB LEU A 20 4.421 7.286 -14.701 1.00 34.34 C ATOM 266 CG LEU A 20 5.540 7.181 -13.653 1.00 23.03 C ATOM 267 CD1 LEU A 20 5.996 5.733 -13.507 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.716 8.089 -14.012 1.00 31.20 C ATOM 0 H LEU A 20 1.921 7.579 -15.750 1.00 71.33 H new ATOM 0 HA LEU A 20 3.255 5.619 -13.985 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.761 6.813 -15.623 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.252 8.339 -14.927 1.00 34.34 H new ATOM 0 HG LEU A 20 5.143 7.516 -12.695 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.789 5.675 -12.761 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.154 5.117 -13.191 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.371 5.371 -14.464 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.493 7.995 -13.254 1.00 31.20 H new ATOM 0 HD22 LEU A 20 7.118 7.797 -14.982 1.00 31.20 H new ATOM 0 HD23 LEU A 20 6.376 9.124 -14.057 1.00 31.20 H new ATOM 280 N VAL A 21 2.814 6.970 -11.906 1.00 52.14 N ATOM 281 CA VAL A 21 2.515 7.718 -10.695 1.00 71.23 C ATOM 282 C VAL A 21 3.812 7.955 -9.931 1.00 12.22 C ATOM 283 O VAL A 21 4.537 7.010 -9.623 1.00 72.33 O ATOM 284 CB VAL A 21 1.503 6.971 -9.785 1.00 12.52 C ATOM 285 CG1 VAL A 21 1.233 7.755 -8.499 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.197 6.705 -10.534 1.00 14.24 C ATOM 0 H VAL A 21 3.271 6.073 -11.741 1.00 52.14 H new ATOM 0 HA VAL A 21 2.058 8.665 -10.982 1.00 71.23 H new ATOM 0 HB VAL A 21 1.946 6.014 -9.510 1.00 12.52 H new ATOM 0 HG11 VAL A 21 0.521 7.207 -7.882 1.00 73.44 H new ATOM 0 HG12 VAL A 21 2.165 7.884 -7.949 1.00 73.44 H new ATOM 0 HG13 VAL A 21 0.820 8.732 -8.749 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.498 6.181 -9.878 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.243 7.652 -10.846 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.400 6.092 -11.412 1.00 14.24 H new ATOM 296 N ASN A 22 4.098 9.212 -9.624 1.00 5.53 N ATOM 297 CA ASN A 22 5.317 9.570 -8.903 1.00 74.14 C ATOM 298 C ASN A 22 5.109 9.370 -7.401 1.00 13.30 C ATOM 299 O ASN A 22 3.970 9.254 -6.948 1.00 42.42 O ATOM 300 CB ASN A 22 5.701 11.030 -9.217 1.00 33.32 C ATOM 301 CG ASN A 22 7.003 11.471 -8.559 1.00 72.42 C ATOM 302 OD1 ASN A 22 7.875 10.656 -8.272 1.00 41.10 O ATOM 303 ND2 ASN A 22 7.151 12.770 -8.340 1.00 14.32 N ATOM 0 H ASN A 22 3.502 10.005 -9.863 1.00 5.53 H new ATOM 0 HA ASN A 22 6.133 8.924 -9.225 1.00 74.14 H new ATOM 0 HB2 ASN A 22 5.790 11.150 -10.297 1.00 33.32 H new ATOM 0 HB3 ASN A 22 4.896 11.688 -8.889 1.00 33.32 H new ATOM 0 HD21 ASN A 22 8.011 13.122 -7.920 1.00 14.32 H new ATOM 0 HD22 ASN A 22 6.404 13.418 -8.592 1.00 14.32 H new ATOM 310 N ASP A 23 6.201 9.324 -6.637 1.00 70.14 N ATOM 311 CA ASP A 23 6.130 9.148 -5.181 1.00 12.10 C ATOM 312 C ASP A 23 5.285 10.252 -4.543 1.00 71.41 C ATOM 313 O ASP A 23 4.601 10.028 -3.543 1.00 71.12 O ATOM 314 CB ASP A 23 7.537 9.134 -4.565 1.00 34.54 C ATOM 315 CG ASP A 23 7.512 8.960 -3.051 1.00 42.35 C ATOM 316 OD1 ASP A 23 7.184 7.847 -2.580 1.00 1.54 O ATOM 317 OD2 ASP A 23 7.816 9.935 -2.324 1.00 24.14 O ATOM 0 H ASP A 23 7.150 9.406 -7.002 1.00 70.14 H new ATOM 0 HA ASP A 23 5.655 8.188 -4.981 1.00 12.10 H new ATOM 0 HB2 ASP A 23 8.117 8.325 -5.010 1.00 34.54 H new ATOM 0 HB3 ASP A 23 8.047 10.065 -4.812 1.00 34.54 H new ATOM 322 N GLU A 24 5.307 11.437 -5.156 1.00 62.34 N ATOM 323 CA GLU A 24 4.488 12.564 -4.701 1.00 11.53 C ATOM 324 C GLU A 24 3.036 12.401 -5.187 1.00 61.53 C ATOM 325 O GLU A 24 2.251 13.352 -5.198 1.00 72.22 O ATOM 326 CB GLU A 24 5.092 13.888 -5.196 1.00 73.32 C ATOM 327 CG GLU A 24 4.471 15.128 -4.557 1.00 13.22 C ATOM 328 CD GLU A 24 5.075 16.423 -5.067 1.00 2.14 C ATOM 329 OE1 GLU A 24 4.716 16.850 -6.183 1.00 11.22 O ATOM 330 OE2 GLU A 24 5.911 17.021 -4.352 1.00 51.24 O ATOM 0 H GLU A 24 5.885 11.642 -5.971 1.00 62.34 H new ATOM 0 HA GLU A 24 4.478 12.580 -3.611 1.00 11.53 H new ATOM 0 HB2 GLU A 24 6.163 13.885 -4.995 1.00 73.32 H new ATOM 0 HB3 GLU A 24 4.971 13.949 -6.278 1.00 73.32 H new ATOM 0 HG2 GLU A 24 3.399 15.132 -4.752 1.00 13.22 H new ATOM 0 HG3 GLU A 24 4.598 15.075 -3.476 1.00 13.22 H new ATOM 337 N GLU A 25 2.702 11.176 -5.596 1.00 62.13 N ATOM 338 CA GLU A 25 1.339 10.794 -5.963 1.00 0.22 C ATOM 339 C GLU A 25 0.863 11.541 -7.209 1.00 61.13 C ATOM 340 O GLU A 25 -0.339 11.699 -7.436 1.00 70.13 O ATOM 341 CB GLU A 25 0.397 11.026 -4.771 1.00 4.34 C ATOM 342 CG GLU A 25 0.898 10.365 -3.489 1.00 45.50 C ATOM 343 CD GLU A 25 -0.027 10.570 -2.307 1.00 73.30 C ATOM 344 OE1 GLU A 25 -0.169 11.724 -1.847 1.00 32.12 O ATOM 345 OE2 GLU A 25 -0.600 9.575 -1.818 1.00 62.44 O ATOM 0 H GLU A 25 3.376 10.415 -5.682 1.00 62.13 H new ATOM 0 HA GLU A 25 1.330 9.733 -6.212 1.00 0.22 H new ATOM 0 HB2 GLU A 25 0.286 12.097 -4.604 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -0.592 10.637 -5.013 1.00 4.34 H new ATOM 0 HG2 GLU A 25 1.021 9.296 -3.664 1.00 45.50 H new ATOM 0 HG3 GLU A 25 1.883 10.763 -3.244 1.00 45.50 H new ATOM 352 N GLN A 26 1.820 11.974 -8.025 1.00 10.22 N ATOM 353 CA GLN A 26 1.523 12.654 -9.285 1.00 54.01 C ATOM 354 C GLN A 26 1.134 11.634 -10.353 1.00 30.13 C ATOM 355 O GLN A 26 1.916 10.738 -10.668 1.00 21.03 O ATOM 356 CB GLN A 26 2.740 13.451 -9.771 1.00 31.13 C ATOM 357 CG GLN A 26 3.232 14.515 -8.797 1.00 12.34 C ATOM 358 CD GLN A 26 4.479 15.214 -9.306 1.00 24.51 C ATOM 359 OE1 GLN A 26 5.278 14.622 -10.032 1.00 3.34 O ATOM 360 NE2 GLN A 26 4.670 16.463 -8.916 1.00 4.44 N ATOM 0 H GLN A 26 2.816 11.865 -7.835 1.00 10.22 H new ATOM 0 HA GLN A 26 0.694 13.340 -9.112 1.00 54.01 H new ATOM 0 HB2 GLN A 26 3.556 12.757 -9.972 1.00 31.13 H new ATOM 0 HB3 GLN A 26 2.489 13.931 -10.717 1.00 31.13 H new ATOM 0 HG2 GLN A 26 2.444 15.251 -8.634 1.00 12.34 H new ATOM 0 HG3 GLN A 26 3.442 14.054 -7.832 1.00 12.34 H new ATOM 0 HE21 GLN A 26 3.985 16.920 -8.314 1.00 4.44 H new ATOM 0 HE22 GLN A 26 5.502 16.970 -9.217 1.00 4.44 H new ATOM 369 N HIS A 27 -0.066 11.772 -10.903 1.00 62.23 N ATOM 370 CA HIS A 27 -0.532 10.883 -11.965 1.00 32.31 C ATOM 371 C HIS A 27 -0.353 11.548 -13.328 1.00 32.43 C ATOM 372 O HIS A 27 -0.954 12.586 -13.602 1.00 70.43 O ATOM 373 CB HIS A 27 -2.002 10.484 -11.739 1.00 4.31 C ATOM 374 CG HIS A 27 -2.943 11.644 -11.572 1.00 71.13 C ATOM 375 ND1 HIS A 27 -3.258 12.187 -10.343 1.00 63.43 N ATOM 376 CD2 HIS A 27 -3.647 12.358 -12.484 1.00 74.11 C ATOM 377 CE1 HIS A 27 -4.110 13.181 -10.508 1.00 60.13 C ATOM 378 NE2 HIS A 27 -4.363 13.306 -11.796 1.00 72.25 N ATOM 0 H HIS A 27 -0.736 12.491 -10.632 1.00 62.23 H new ATOM 0 HA HIS A 27 0.069 9.974 -11.943 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.336 9.880 -12.583 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -2.062 9.853 -10.852 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -3.645 12.209 -13.554 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -4.529 13.790 -9.721 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -4.989 13.995 -12.213 1.00 72.25 H new ATOM 387 N SER A 28 0.484 10.953 -14.172 1.00 43.31 N ATOM 388 CA SER A 28 0.777 11.501 -15.491 1.00 70.43 C ATOM 389 C SER A 28 1.486 10.444 -16.340 1.00 3.04 C ATOM 390 O SER A 28 1.460 9.260 -16.006 1.00 45.11 O ATOM 391 CB SER A 28 1.647 12.765 -15.348 1.00 24.32 C ATOM 392 OG SER A 28 1.802 13.439 -16.589 1.00 33.21 O ATOM 0 H SER A 28 0.975 10.084 -13.963 1.00 43.31 H new ATOM 0 HA SER A 28 -0.152 11.778 -15.988 1.00 70.43 H new ATOM 0 HB2 SER A 28 1.193 13.439 -14.622 1.00 24.32 H new ATOM 0 HB3 SER A 28 2.627 12.490 -14.958 1.00 24.32 H new ATOM 0 HG SER A 28 1.002 13.301 -17.138 1.00 33.21 H new ATOM 398 N LEU A 29 2.106 10.866 -17.436 1.00 3.41 N ATOM 399 CA LEU A 29 2.878 9.960 -18.287 1.00 62.52 C ATOM 400 C LEU A 29 4.369 10.249 -18.127 1.00 23.32 C ATOM 401 O LEU A 29 4.750 11.215 -17.459 1.00 31.35 O ATOM 402 CB LEU A 29 2.460 10.070 -19.768 1.00 32.03 C ATOM 403 CG LEU A 29 2.789 11.398 -20.483 1.00 23.25 C ATOM 404 CD1 LEU A 29 2.566 11.263 -21.987 1.00 5.44 C ATOM 405 CD2 LEU A 29 1.956 12.554 -19.925 1.00 25.14 C ATOM 0 H LEU A 29 2.090 11.833 -17.759 1.00 3.41 H new ATOM 0 HA LEU A 29 2.671 8.938 -17.969 1.00 62.52 H new ATOM 0 HB2 LEU A 29 2.938 9.260 -20.318 1.00 32.03 H new ATOM 0 HB3 LEU A 29 1.384 9.907 -19.831 1.00 32.03 H new ATOM 0 HG LEU A 29 3.840 11.623 -20.300 1.00 23.25 H new ATOM 0 HD11 LEU A 29 2.802 12.208 -22.476 1.00 5.44 H new ATOM 0 HD12 LEU A 29 3.212 10.479 -22.382 1.00 5.44 H new ATOM 0 HD13 LEU A 29 1.524 11.006 -22.179 1.00 5.44 H new ATOM 0 HD21 LEU A 29 2.212 13.474 -20.450 1.00 25.14 H new ATOM 0 HD22 LEU A 29 0.896 12.340 -20.065 1.00 25.14 H new ATOM 0 HD23 LEU A 29 2.165 12.673 -18.862 1.00 25.14 H new ATOM 417 N TRP A 30 5.206 9.421 -18.740 1.00 23.42 N ATOM 418 CA TRP A 30 6.656 9.538 -18.593 1.00 41.14 C ATOM 419 C TRP A 30 7.360 9.420 -19.947 1.00 34.24 C ATOM 420 O TRP A 30 6.861 8.754 -20.856 1.00 3.43 O ATOM 421 CB TRP A 30 7.178 8.469 -17.615 1.00 13.11 C ATOM 422 CG TRP A 30 6.797 7.055 -17.974 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.558 6.489 -17.878 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.667 6.027 -18.464 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.604 5.177 -18.279 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.888 4.870 -18.643 1.00 25.44 C ATOM 427 CE3 TRP A 30 9.031 5.976 -18.770 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.425 3.674 -19.111 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.565 4.789 -19.235 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.763 3.652 -19.402 1.00 73.31 C ATOM 0 H TRP A 30 4.906 8.658 -19.346 1.00 23.42 H new ATOM 0 HA TRP A 30 6.879 10.525 -18.187 1.00 41.14 H new ATOM 0 HB2 TRP A 30 8.265 8.538 -17.567 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.800 8.692 -16.617 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.670 7.000 -17.536 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.811 4.536 -18.302 1.00 33.35 H new ATOM 0 HE3 TRP A 30 9.655 6.848 -18.645 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.809 2.796 -19.240 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.617 4.737 -19.473 1.00 55.34 H new ATOM 0 HH2 TRP A 30 9.209 2.739 -19.768 1.00 73.31 H new ATOM 441 N PRO A 31 8.517 10.095 -20.110 1.00 52.54 N ATOM 442 CA PRO A 31 9.323 10.006 -21.335 1.00 35.33 C ATOM 443 C PRO A 31 10.041 8.657 -21.444 1.00 43.41 C ATOM 444 O PRO A 31 10.988 8.382 -20.702 1.00 35.31 O ATOM 445 CB PRO A 31 10.327 11.156 -21.177 1.00 30.22 C ATOM 446 CG PRO A 31 10.482 11.313 -19.702 1.00 33.12 C ATOM 447 CD PRO A 31 9.129 11.010 -19.117 1.00 24.30 C ATOM 0 HA PRO A 31 8.722 10.080 -22.241 1.00 35.33 H new ATOM 0 HB2 PRO A 31 11.279 10.921 -21.654 1.00 30.22 H new ATOM 0 HB3 PRO A 31 9.957 12.072 -21.637 1.00 30.22 H new ATOM 0 HG2 PRO A 31 11.239 10.632 -19.313 1.00 33.12 H new ATOM 0 HG3 PRO A 31 10.802 12.323 -19.447 1.00 33.12 H new ATOM 0 HD2 PRO A 31 9.212 10.540 -18.137 1.00 24.30 H new ATOM 0 HD3 PRO A 31 8.536 11.916 -18.987 1.00 24.30 H new ATOM 455 N ALA A 32 9.583 7.818 -22.371 1.00 64.13 N ATOM 456 CA ALA A 32 10.109 6.461 -22.518 1.00 5.22 C ATOM 457 C ALA A 32 11.505 6.452 -23.140 1.00 54.03 C ATOM 458 O ALA A 32 12.190 5.427 -23.132 1.00 51.42 O ATOM 459 CB ALA A 32 9.154 5.619 -23.356 1.00 31.45 C ATOM 0 H ALA A 32 8.846 8.055 -23.035 1.00 64.13 H new ATOM 0 HA ALA A 32 10.194 6.031 -21.520 1.00 5.22 H new ATOM 0 HB1 ALA A 32 9.554 4.610 -23.460 1.00 31.45 H new ATOM 0 HB2 ALA A 32 8.182 5.575 -22.865 1.00 31.45 H new ATOM 0 HB3 ALA A 32 9.043 6.069 -24.343 1.00 31.45 H new ATOM 465 N PHE A 33 11.925 7.595 -23.676 1.00 65.24 N ATOM 466 CA PHE A 33 13.218 7.708 -24.352 1.00 41.30 C ATOM 467 C PHE A 33 14.231 8.435 -23.466 1.00 64.43 C ATOM 468 O PHE A 33 15.297 8.857 -23.930 1.00 54.03 O ATOM 469 CB PHE A 33 13.046 8.444 -25.691 1.00 70.23 C ATOM 470 CG PHE A 33 11.985 7.833 -26.572 1.00 14.54 C ATOM 471 CD1 PHE A 33 12.259 6.703 -27.332 1.00 21.21 C ATOM 472 CD2 PHE A 33 10.709 8.379 -26.629 1.00 34.35 C ATOM 473 CE1 PHE A 33 11.286 6.132 -28.128 1.00 25.54 C ATOM 474 CE2 PHE A 33 9.734 7.813 -27.429 1.00 3.51 C ATOM 475 CZ PHE A 33 10.022 6.689 -28.177 1.00 72.43 C ATOM 0 H PHE A 33 11.387 8.461 -23.656 1.00 65.24 H new ATOM 0 HA PHE A 33 13.599 6.705 -24.547 1.00 41.30 H new ATOM 0 HB2 PHE A 33 12.792 9.486 -25.496 1.00 70.23 H new ATOM 0 HB3 PHE A 33 13.997 8.443 -26.224 1.00 70.23 H new ATOM 0 HD1 PHE A 33 13.246 6.265 -27.300 1.00 21.21 H new ATOM 0 HD2 PHE A 33 10.476 9.255 -26.042 1.00 34.35 H new ATOM 0 HE1 PHE A 33 11.512 5.252 -28.711 1.00 25.54 H new ATOM 0 HE2 PHE A 33 8.747 8.250 -27.469 1.00 3.51 H new ATOM 0 HZ PHE A 33 9.260 6.245 -28.800 1.00 72.43 H new ATOM 485 N ALA A 34 13.899 8.563 -22.183 1.00 11.31 N ATOM 486 CA ALA A 34 14.769 9.223 -21.215 1.00 4.15 C ATOM 487 C ALA A 34 14.763 8.467 -19.887 1.00 15.35 C ATOM 488 O ALA A 34 14.088 7.441 -19.749 1.00 1.33 O ATOM 489 CB ALA A 34 14.332 10.672 -21.014 1.00 42.14 C ATOM 0 H ALA A 34 13.025 8.214 -21.788 1.00 11.31 H new ATOM 0 HA ALA A 34 15.788 9.221 -21.603 1.00 4.15 H new ATOM 0 HB1 ALA A 34 14.989 11.153 -20.290 1.00 42.14 H new ATOM 0 HB2 ALA A 34 14.388 11.204 -21.964 1.00 42.14 H new ATOM 0 HB3 ALA A 34 13.307 10.695 -20.645 1.00 42.14 H new ATOM 495 N ASP A 35 15.521 8.968 -18.915 1.00 65.10 N ATOM 496 CA ASP A 35 15.588 8.344 -17.595 1.00 21.44 C ATOM 497 C ASP A 35 14.369 8.719 -16.768 1.00 35.34 C ATOM 498 O ASP A 35 14.130 9.901 -16.495 1.00 10.32 O ATOM 499 CB ASP A 35 16.859 8.759 -16.837 1.00 10.33 C ATOM 500 CG ASP A 35 18.089 7.971 -17.255 1.00 71.31 C ATOM 501 OD1 ASP A 35 18.178 6.773 -16.907 1.00 62.15 O ATOM 502 OD2 ASP A 35 18.985 8.551 -17.906 1.00 74.13 O ATOM 0 H ASP A 35 16.097 9.804 -19.016 1.00 65.10 H new ATOM 0 HA ASP A 35 15.612 7.265 -17.748 1.00 21.44 H new ATOM 0 HB2 ASP A 35 17.042 9.821 -17.002 1.00 10.33 H new ATOM 0 HB3 ASP A 35 16.696 8.626 -15.767 1.00 10.33 H new ATOM 507 N VAL A 36 13.599 7.711 -16.384 1.00 51.02 N ATOM 508 CA VAL A 36 12.474 7.894 -15.480 1.00 14.20 C ATOM 509 C VAL A 36 12.926 7.569 -14.044 1.00 74.22 C ATOM 510 O VAL A 36 13.208 6.416 -13.716 1.00 4.35 O ATOM 511 CB VAL A 36 11.257 7.024 -15.915 1.00 52.15 C ATOM 512 CG1 VAL A 36 11.600 5.534 -15.945 1.00 54.14 C ATOM 513 CG2 VAL A 36 10.045 7.295 -15.026 1.00 3.12 C ATOM 0 H VAL A 36 13.736 6.747 -16.689 1.00 51.02 H new ATOM 0 HA VAL A 36 12.143 8.932 -15.517 1.00 14.20 H new ATOM 0 HB VAL A 36 11.000 7.313 -16.934 1.00 52.15 H new ATOM 0 HG11 VAL A 36 10.723 4.965 -16.253 1.00 54.14 H new ATOM 0 HG12 VAL A 36 12.411 5.362 -16.652 1.00 54.14 H new ATOM 0 HG13 VAL A 36 11.910 5.212 -14.951 1.00 54.14 H new ATOM 0 HG21 VAL A 36 9.209 6.675 -15.351 1.00 3.12 H new ATOM 0 HG22 VAL A 36 10.292 7.057 -13.991 1.00 3.12 H new ATOM 0 HG23 VAL A 36 9.767 8.346 -15.100 1.00 3.12 H new ATOM 523 N PRO A 37 13.021 8.593 -13.173 1.00 42.20 N ATOM 524 CA PRO A 37 13.685 8.469 -11.861 1.00 21.34 C ATOM 525 C PRO A 37 12.997 7.494 -10.904 1.00 1.14 C ATOM 526 O PRO A 37 11.940 7.797 -10.358 1.00 71.23 O ATOM 527 CB PRO A 37 13.636 9.888 -11.294 1.00 33.33 C ATOM 528 CG PRO A 37 12.507 10.556 -12.009 1.00 74.14 C ATOM 529 CD PRO A 37 12.476 9.949 -13.385 1.00 3.15 C ATOM 0 HA PRO A 37 14.691 8.065 -11.977 1.00 21.34 H new ATOM 0 HB2 PRO A 37 13.468 9.876 -10.217 1.00 33.33 H new ATOM 0 HB3 PRO A 37 14.576 10.413 -11.465 1.00 33.33 H new ATOM 0 HG2 PRO A 37 11.563 10.393 -11.488 1.00 74.14 H new ATOM 0 HG3 PRO A 37 12.660 11.634 -12.061 1.00 74.14 H new ATOM 0 HD2 PRO A 37 11.463 9.917 -13.787 1.00 3.15 H new ATOM 0 HD3 PRO A 37 13.081 10.520 -14.090 1.00 3.15 H new ATOM 537 N ALA A 38 13.641 6.349 -10.685 1.00 5.25 N ATOM 538 CA ALA A 38 13.110 5.273 -9.840 1.00 34.34 C ATOM 539 C ALA A 38 12.534 5.801 -8.517 1.00 32.33 C ATOM 540 O ALA A 38 12.975 6.833 -7.999 1.00 13.31 O ATOM 541 CB ALA A 38 14.200 4.243 -9.570 1.00 11.05 C ATOM 0 H ALA A 38 14.553 6.137 -11.090 1.00 5.25 H new ATOM 0 HA ALA A 38 12.288 4.804 -10.381 1.00 34.34 H new ATOM 0 HB1 ALA A 38 13.800 3.446 -8.942 1.00 11.05 H new ATOM 0 HB2 ALA A 38 14.545 3.822 -10.514 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.035 4.723 -9.060 1.00 11.05 H new ATOM 547 N GLY A 39 11.568 5.063 -7.971 1.00 34.21 N ATOM 548 CA GLY A 39 10.839 5.499 -6.787 1.00 13.01 C ATOM 549 C GLY A 39 9.374 5.750 -7.091 1.00 60.32 C ATOM 550 O GLY A 39 8.566 5.972 -6.185 1.00 53.32 O ATOM 0 H GLY A 39 11.273 4.157 -8.334 1.00 34.21 H new ATOM 0 HA2 GLY A 39 10.924 4.742 -6.008 1.00 13.01 H new ATOM 0 HA3 GLY A 39 11.291 6.411 -6.396 1.00 13.01 H new ATOM 554 N TRP A 40 9.038 5.702 -8.373 1.00 51.51 N ATOM 555 CA TRP A 40 7.661 5.845 -8.840 1.00 73.43 C ATOM 556 C TRP A 40 6.954 4.494 -8.859 1.00 13.52 C ATOM 557 O TRP A 40 7.526 3.472 -8.472 1.00 74.51 O ATOM 558 CB TRP A 40 7.645 6.454 -10.254 1.00 45.14 C ATOM 559 CG TRP A 40 8.747 5.940 -11.138 1.00 44.13 C ATOM 560 CD1 TRP A 40 9.827 6.647 -11.553 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.887 4.623 -11.707 1.00 12.14 C ATOM 562 NE1 TRP A 40 10.650 5.860 -12.317 1.00 74.20 N ATOM 563 CE2 TRP A 40 10.090 4.615 -12.437 1.00 71.13 C ATOM 564 CE3 TRP A 40 8.119 3.452 -11.670 1.00 32.41 C ATOM 565 CZ2 TRP A 40 10.545 3.486 -13.117 1.00 14.53 C ATOM 566 CZ3 TRP A 40 8.568 2.334 -12.348 1.00 71.15 C ATOM 567 CH2 TRP A 40 9.773 2.357 -13.062 1.00 62.31 C ATOM 0 H TRP A 40 9.714 5.562 -9.124 1.00 51.51 H new ATOM 0 HA TRP A 40 7.134 6.507 -8.153 1.00 73.43 H new ATOM 0 HB2 TRP A 40 6.684 6.241 -10.723 1.00 45.14 H new ATOM 0 HB3 TRP A 40 7.728 7.538 -10.176 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.013 7.684 -11.315 1.00 34.43 H new ATOM 0 HE1 TRP A 40 11.536 6.154 -12.729 1.00 74.20 H new ATOM 0 HE3 TRP A 40 7.190 3.423 -11.120 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 11.474 3.502 -13.668 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 7.980 1.428 -12.327 1.00 71.15 H new ATOM 0 HH2 TRP A 40 10.099 1.467 -13.579 1.00 62.31 H new ATOM 578 N ARG A 41 5.708 4.504 -9.316 1.00 24.31 N ATOM 579 CA ARG A 41 4.957 3.282 -9.563 1.00 20.05 C ATOM 580 C ARG A 41 4.382 3.350 -10.978 1.00 55.23 C ATOM 581 O ARG A 41 3.694 4.313 -11.325 1.00 13.03 O ATOM 582 CB ARG A 41 3.823 3.152 -8.531 1.00 53.34 C ATOM 583 CG ARG A 41 4.293 3.268 -7.081 1.00 52.42 C ATOM 584 CD ARG A 41 3.125 3.387 -6.108 1.00 12.34 C ATOM 585 NE ARG A 41 3.585 3.639 -4.738 1.00 63.22 N ATOM 586 CZ ARG A 41 3.335 4.759 -4.051 1.00 44.45 C ATOM 587 NH1 ARG A 41 2.610 5.731 -4.593 1.00 42.12 N ATOM 588 NH2 ARG A 41 3.808 4.907 -2.822 1.00 31.14 N ATOM 0 H ARG A 41 5.191 5.358 -9.525 1.00 24.31 H new ATOM 0 HA ARG A 41 5.607 2.412 -9.470 1.00 20.05 H new ATOM 0 HB2 ARG A 41 3.078 3.924 -8.725 1.00 53.34 H new ATOM 0 HB3 ARG A 41 3.329 2.190 -8.667 1.00 53.34 H new ATOM 0 HG2 ARG A 41 4.892 2.394 -6.823 1.00 52.42 H new ATOM 0 HG3 ARG A 41 4.940 4.139 -6.979 1.00 52.42 H new ATOM 0 HD2 ARG A 41 2.467 4.196 -6.426 1.00 12.34 H new ATOM 0 HD3 ARG A 41 2.537 2.470 -6.132 1.00 12.34 H new ATOM 0 HE ARG A 41 4.132 2.911 -4.278 1.00 63.22 H new ATOM 0 HH11 ARG A 41 2.241 5.626 -5.538 1.00 42.12 H new ATOM 0 HH12 ARG A 41 2.423 6.583 -4.064 1.00 42.12 H new ATOM 0 HH21 ARG A 41 4.365 4.165 -2.397 1.00 31.14 H new ATOM 0 HH22 ARG A 41 3.615 5.762 -2.301 1.00 31.14 H new ATOM 602 N VAL A 42 4.663 2.342 -11.797 1.00 41.41 N ATOM 603 CA VAL A 42 4.192 2.331 -13.180 1.00 54.33 C ATOM 604 C VAL A 42 2.836 1.627 -13.297 1.00 41.04 C ATOM 605 O VAL A 42 2.712 0.438 -13.002 1.00 60.22 O ATOM 606 CB VAL A 42 5.236 1.694 -14.140 1.00 3.04 C ATOM 607 CG1 VAL A 42 5.554 0.255 -13.748 1.00 41.04 C ATOM 608 CG2 VAL A 42 4.761 1.775 -15.591 1.00 13.44 C ATOM 0 H VAL A 42 5.212 1.525 -11.530 1.00 41.41 H new ATOM 0 HA VAL A 42 4.061 3.369 -13.485 1.00 54.33 H new ATOM 0 HB VAL A 42 6.159 2.268 -14.051 1.00 3.04 H new ATOM 0 HG11 VAL A 42 6.287 -0.157 -14.441 1.00 41.04 H new ATOM 0 HG12 VAL A 42 5.960 0.235 -12.736 1.00 41.04 H new ATOM 0 HG13 VAL A 42 4.643 -0.342 -13.786 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.508 1.323 -16.244 1.00 13.44 H new ATOM 0 HG22 VAL A 42 3.817 1.241 -15.695 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.619 2.819 -15.870 1.00 13.44 H new ATOM 618 N VAL A 43 1.816 2.376 -13.707 1.00 12.04 N ATOM 619 CA VAL A 43 0.476 1.826 -13.878 1.00 4.12 C ATOM 620 C VAL A 43 0.396 1.019 -15.172 1.00 0.32 C ATOM 621 O VAL A 43 -0.291 -0.003 -15.244 1.00 14.03 O ATOM 622 CB VAL A 43 -0.597 2.946 -13.893 1.00 51.33 C ATOM 623 CG1 VAL A 43 -2.002 2.363 -14.039 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.490 3.808 -12.635 1.00 73.33 C ATOM 0 H VAL A 43 1.893 3.369 -13.927 1.00 12.04 H new ATOM 0 HA VAL A 43 0.276 1.172 -13.030 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.412 3.581 -14.760 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -2.733 3.172 -14.046 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -2.069 1.805 -14.973 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -2.208 1.696 -13.202 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.250 4.588 -12.663 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -0.641 3.185 -11.753 1.00 73.33 H new ATOM 0 HG23 VAL A 43 0.498 4.266 -12.591 1.00 73.33 H new ATOM 634 N HIS A 44 1.112 1.487 -16.185 1.00 64.55 N ATOM 635 CA HIS A 44 1.162 0.824 -17.488 1.00 44.42 C ATOM 636 C HIS A 44 2.435 1.223 -18.222 1.00 73.35 C ATOM 637 O HIS A 44 2.768 2.415 -18.276 1.00 2.12 O ATOM 638 CB HIS A 44 -0.070 1.186 -18.337 1.00 33.41 C ATOM 639 CG HIS A 44 -1.160 0.154 -18.311 1.00 64.22 C ATOM 640 ND1 HIS A 44 -2.023 -0.009 -17.250 1.00 63.31 N ATOM 641 CD2 HIS A 44 -1.530 -0.765 -19.235 1.00 24.33 C ATOM 642 CE1 HIS A 44 -2.874 -0.977 -17.524 1.00 61.35 C ATOM 643 NE2 HIS A 44 -2.598 -1.451 -18.721 1.00 12.24 N ATOM 0 H HIS A 44 1.675 2.336 -16.131 1.00 64.55 H new ATOM 0 HA HIS A 44 1.160 -0.254 -17.326 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.475 2.135 -17.984 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.246 1.339 -19.369 1.00 33.41 H new ATOM 0 HD1 HIS A 44 -2.006 0.535 -16.387 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -1.069 -0.927 -20.198 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -3.665 -1.323 -16.876 1.00 61.35 H new ATOM 652 N GLY A 45 3.137 0.217 -18.761 1.00 42.11 N ATOM 653 CA GLY A 45 4.364 0.444 -19.514 1.00 12.53 C ATOM 654 C GLY A 45 4.105 1.083 -20.865 1.00 61.03 C ATOM 655 O GLY A 45 2.962 1.117 -21.325 1.00 13.13 O ATOM 0 H GLY A 45 2.869 -0.764 -18.685 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.029 1.084 -18.934 1.00 12.53 H new ATOM 0 HA3 GLY A 45 4.880 -0.506 -19.657 1.00 12.53 H new ATOM 659 N GLU A 46 5.171 1.558 -21.511 1.00 70.20 N ATOM 660 CA GLU A 46 5.053 2.383 -22.720 1.00 12.32 C ATOM 661 C GLU A 46 4.236 1.715 -23.837 1.00 41.42 C ATOM 662 O GLU A 46 4.240 0.491 -23.998 1.00 12.04 O ATOM 663 CB GLU A 46 6.441 2.830 -23.234 1.00 10.22 C ATOM 664 CG GLU A 46 7.584 1.850 -22.969 1.00 43.31 C ATOM 665 CD GLU A 46 7.355 0.477 -23.573 1.00 74.34 C ATOM 666 OE1 GLU A 46 7.591 0.301 -24.790 1.00 5.12 O ATOM 667 OE2 GLU A 46 6.946 -0.438 -22.834 1.00 62.12 O ATOM 0 H GLU A 46 6.132 1.386 -21.217 1.00 70.20 H new ATOM 0 HA GLU A 46 4.493 3.270 -22.424 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.374 3.002 -24.308 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.690 3.786 -22.773 1.00 10.22 H new ATOM 0 HG2 GLU A 46 8.509 2.265 -23.370 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.721 1.747 -21.893 1.00 43.31 H new ATOM 674 N ALA A 47 3.535 2.558 -24.596 1.00 23.10 N ATOM 675 CA ALA A 47 2.692 2.136 -25.712 1.00 63.51 C ATOM 676 C ALA A 47 2.675 3.235 -26.774 1.00 73.41 C ATOM 677 O ALA A 47 3.339 4.262 -26.617 1.00 62.32 O ATOM 678 CB ALA A 47 1.272 1.824 -25.234 1.00 61.02 C ATOM 0 H ALA A 47 3.538 3.567 -24.450 1.00 23.10 H new ATOM 0 HA ALA A 47 3.103 1.224 -26.145 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.663 1.512 -26.082 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.304 1.022 -24.496 1.00 61.02 H new ATOM 0 HB3 ALA A 47 0.836 2.715 -24.783 1.00 61.02 H new ATOM 684 N ASP A 48 1.922 3.023 -27.847 1.00 43.44 N ATOM 685 CA ASP A 48 1.866 3.979 -28.960 1.00 51.31 C ATOM 686 C ASP A 48 0.731 4.981 -28.775 1.00 41.22 C ATOM 687 O ASP A 48 -0.109 4.836 -27.873 1.00 41.42 O ATOM 688 CB ASP A 48 1.690 3.243 -30.295 1.00 34.15 C ATOM 689 CG ASP A 48 2.880 2.361 -30.643 1.00 34.52 C ATOM 690 OD1 ASP A 48 3.838 2.865 -31.263 1.00 61.52 O ATOM 691 OD2 ASP A 48 2.862 1.159 -30.296 1.00 44.10 O ATOM 0 H ASP A 48 1.338 2.197 -27.975 1.00 43.44 H new ATOM 0 HA ASP A 48 2.810 4.524 -28.971 1.00 51.31 H new ATOM 0 HB2 ASP A 48 0.790 2.630 -30.251 1.00 34.15 H new ATOM 0 HB3 ASP A 48 1.540 3.973 -31.090 1.00 34.15 H new ATOM 696 N ARG A 49 0.690 5.993 -29.649 1.00 53.53 N ATOM 697 CA ARG A 49 -0.358 7.006 -29.588 1.00 35.31 C ATOM 698 C ARG A 49 -1.722 6.353 -29.703 1.00 63.41 C ATOM 699 O ARG A 49 -2.692 6.843 -29.137 1.00 64.05 O ATOM 700 CB ARG A 49 -0.224 8.054 -30.694 1.00 64.50 C ATOM 701 CG ARG A 49 -1.274 9.164 -30.574 1.00 25.32 C ATOM 702 CD ARG A 49 -1.462 9.925 -31.874 1.00 61.13 C ATOM 703 NE ARG A 49 -1.980 9.070 -32.942 1.00 44.12 N ATOM 704 CZ ARG A 49 -1.865 9.342 -34.240 1.00 64.24 C ATOM 705 NH1 ARG A 49 -1.214 10.425 -34.646 1.00 24.55 N ATOM 706 NH2 ARG A 49 -2.395 8.517 -35.130 1.00 74.33 N ATOM 0 H ARG A 49 1.367 6.128 -30.400 1.00 53.53 H new ATOM 0 HA ARG A 49 -0.251 7.509 -28.627 1.00 35.31 H new ATOM 0 HB2 ARG A 49 0.773 8.494 -30.656 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -0.321 7.569 -31.665 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.226 8.729 -30.270 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -0.976 9.859 -29.789 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -2.148 10.756 -31.711 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -0.509 10.354 -32.184 1.00 61.13 H new ATOM 0 HE ARG A 49 -2.460 8.210 -32.675 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -0.797 11.056 -33.962 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -1.130 10.626 -35.642 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -2.887 7.680 -34.819 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -2.311 8.719 -36.126 1.00 74.33 H new ATOM 720 N ALA A 50 -1.796 5.258 -30.451 1.00 72.03 N ATOM 721 CA ALA A 50 -3.027 4.487 -30.552 1.00 51.03 C ATOM 722 C ALA A 50 -3.530 4.153 -29.152 1.00 12.03 C ATOM 723 O ALA A 50 -4.652 4.478 -28.792 1.00 12.24 O ATOM 724 CB ALA A 50 -2.803 3.217 -31.362 1.00 12.12 C ATOM 0 H ALA A 50 -1.018 4.885 -30.996 1.00 72.03 H new ATOM 0 HA ALA A 50 -3.780 5.082 -31.070 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -3.736 2.656 -31.425 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -2.469 3.480 -32.366 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.043 2.605 -30.876 1.00 12.12 H new ATOM 730 N ALA A 51 -2.643 3.572 -28.350 1.00 52.32 N ATOM 731 CA ALA A 51 -2.944 3.196 -26.970 1.00 4.44 C ATOM 732 C ALA A 51 -3.241 4.433 -26.107 1.00 42.22 C ATOM 733 O ALA A 51 -4.011 4.377 -25.109 1.00 11.11 O ATOM 734 CB ALA A 51 -1.773 2.412 -26.411 1.00 13.05 C ATOM 0 H ALA A 51 -1.691 3.347 -28.639 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.839 2.575 -26.954 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.985 2.125 -25.381 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.615 1.516 -27.012 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.875 3.030 -26.438 1.00 13.05 H new ATOM 740 N CYS A 52 -2.577 5.541 -26.473 1.00 32.44 N ATOM 741 CA CYS A 52 -2.804 6.838 -25.833 1.00 51.42 C ATOM 742 C CYS A 52 -4.206 7.339 -26.126 1.00 23.32 C ATOM 743 O CYS A 52 -4.835 7.968 -25.283 1.00 3.22 O ATOM 744 CB CYS A 52 -1.764 7.868 -26.295 1.00 61.32 C ATOM 745 SG CYS A 52 -1.948 9.498 -25.529 1.00 33.32 S ATOM 0 H CYS A 52 -1.876 5.560 -27.213 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.698 6.705 -24.756 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -0.767 7.486 -26.075 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -1.832 7.977 -27.377 1.00 61.32 H new ATOM 0 HG CYS A 52 -3.169 9.644 -25.107 1.00 33.32 H new ATOM 751 N LEU A 53 -4.679 7.074 -27.333 1.00 43.35 N ATOM 752 CA LEU A 53 -6.038 7.404 -27.711 1.00 74.32 C ATOM 753 C LEU A 53 -7.006 6.461 -27.006 1.00 2.01 C ATOM 754 O LEU A 53 -8.000 6.900 -26.444 1.00 41.12 O ATOM 755 CB LEU A 53 -6.203 7.340 -29.240 1.00 44.01 C ATOM 756 CG LEU A 53 -5.366 8.365 -30.047 1.00 62.22 C ATOM 757 CD1 LEU A 53 -5.664 8.248 -31.542 1.00 70.12 C ATOM 758 CD2 LEU A 53 -5.624 9.788 -29.553 1.00 15.11 C ATOM 0 H LEU A 53 -4.135 6.628 -28.071 1.00 43.35 H new ATOM 0 HA LEU A 53 -6.263 8.424 -27.401 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -5.937 6.337 -29.575 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -7.256 7.488 -29.480 1.00 44.01 H new ATOM 0 HG LEU A 53 -4.311 8.139 -29.891 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -5.066 8.976 -32.090 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -5.416 7.243 -31.885 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -6.722 8.441 -31.718 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -5.025 10.489 -30.135 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -6.681 10.028 -29.671 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -5.350 9.863 -28.501 1.00 15.11 H new ATOM 770 N GLU A 54 -6.675 5.166 -26.998 1.00 54.41 N ATOM 771 CA GLU A 54 -7.528 4.146 -26.381 1.00 14.33 C ATOM 772 C GLU A 54 -7.682 4.391 -24.882 1.00 52.22 C ATOM 773 O GLU A 54 -8.673 3.968 -24.288 1.00 22.30 O ATOM 774 CB GLU A 54 -6.967 2.738 -26.622 1.00 0.25 C ATOM 775 CG GLU A 54 -6.629 2.431 -28.078 1.00 41.53 C ATOM 776 CD GLU A 54 -7.818 2.511 -29.026 1.00 73.12 C ATOM 777 OE1 GLU A 54 -8.308 3.628 -29.296 1.00 55.44 O ATOM 778 OE2 GLU A 54 -8.238 1.457 -29.547 1.00 65.32 O ATOM 0 H GLU A 54 -5.819 4.799 -27.414 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.510 4.217 -26.849 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -6.068 2.611 -26.019 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -7.693 2.006 -26.269 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -5.862 3.128 -28.416 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -6.199 1.431 -28.136 1.00 41.53 H new ATOM 785 N TYR A 55 -6.701 5.067 -24.266 1.00 63.34 N ATOM 786 CA TYR A 55 -6.823 5.476 -22.854 1.00 53.30 C ATOM 787 C TYR A 55 -8.197 6.106 -22.560 1.00 12.43 C ATOM 788 O TYR A 55 -8.678 6.044 -21.428 1.00 25.40 O ATOM 789 CB TYR A 55 -5.691 6.456 -22.461 1.00 54.33 C ATOM 790 CG TYR A 55 -6.132 7.880 -22.116 1.00 33.53 C ATOM 791 CD1 TYR A 55 -6.476 8.795 -23.110 1.00 54.33 C ATOM 792 CD2 TYR A 55 -6.200 8.308 -20.790 1.00 42.04 C ATOM 793 CE1 TYR A 55 -6.864 10.084 -22.797 1.00 14.43 C ATOM 794 CE2 TYR A 55 -6.587 9.599 -20.471 1.00 5.14 C ATOM 795 CZ TYR A 55 -6.921 10.482 -21.479 1.00 71.24 C ATOM 796 OH TYR A 55 -7.306 11.769 -21.169 1.00 1.32 O ATOM 0 H TYR A 55 -5.826 5.340 -24.713 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.731 4.574 -22.250 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -5.160 6.043 -21.604 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.978 6.506 -23.284 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -6.439 8.490 -24.145 1.00 54.33 H new ATOM 0 HD2 TYR A 55 -5.946 7.620 -19.997 1.00 42.04 H new ATOM 0 HE1 TYR A 55 -7.122 10.778 -23.584 1.00 14.43 H new ATOM 0 HE2 TYR A 55 -6.627 9.914 -19.439 1.00 5.14 H new ATOM 0 HH TYR A 55 -7.295 11.888 -20.196 1.00 1.32 H new ATOM 806 N ILE A 56 -8.827 6.703 -23.577 1.00 72.14 N ATOM 807 CA ILE A 56 -10.160 7.285 -23.418 1.00 54.34 C ATOM 808 C ILE A 56 -11.165 6.205 -23.012 1.00 35.30 C ATOM 809 O ILE A 56 -11.938 6.368 -22.065 1.00 14.25 O ATOM 810 CB ILE A 56 -10.632 7.986 -24.726 1.00 50.34 C ATOM 811 CG1 ILE A 56 -11.960 8.718 -24.509 1.00 13.53 C ATOM 812 CG2 ILE A 56 -10.776 6.989 -25.880 1.00 54.41 C ATOM 813 CD1 ILE A 56 -12.354 9.594 -25.680 1.00 32.34 C ATOM 0 H ILE A 56 -8.436 6.795 -24.515 1.00 72.14 H new ATOM 0 HA ILE A 56 -10.104 8.037 -22.631 1.00 54.34 H new ATOM 0 HB ILE A 56 -9.865 8.713 -24.992 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -12.747 7.985 -24.330 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -11.887 9.333 -23.612 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -11.107 7.515 -26.776 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -9.814 6.514 -26.073 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -11.510 6.228 -25.614 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -13.303 10.085 -25.464 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -11.585 10.348 -25.845 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -12.458 8.980 -26.575 1.00 32.34 H new ATOM 825 N GLU A 57 -11.120 5.096 -23.734 1.00 31.32 N ATOM 826 CA GLU A 57 -11.987 3.952 -23.498 1.00 13.01 C ATOM 827 C GLU A 57 -11.547 3.202 -22.244 1.00 51.21 C ATOM 828 O GLU A 57 -12.367 2.684 -21.480 1.00 71.31 O ATOM 829 CB GLU A 57 -11.923 3.039 -24.726 1.00 52.35 C ATOM 830 CG GLU A 57 -12.796 1.788 -24.643 1.00 14.33 C ATOM 831 CD GLU A 57 -14.286 2.092 -24.686 1.00 72.01 C ATOM 832 OE1 GLU A 57 -14.777 2.506 -25.757 1.00 53.13 O ATOM 833 OE2 GLU A 57 -14.976 1.901 -23.664 1.00 43.21 O ATOM 0 H GLU A 57 -10.472 4.964 -24.510 1.00 31.32 H new ATOM 0 HA GLU A 57 -13.013 4.286 -23.340 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -12.219 3.613 -25.604 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.888 2.733 -24.880 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.544 1.122 -25.468 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -12.567 1.254 -23.721 1.00 14.33 H new ATOM 840 N GLU A 58 -10.238 3.170 -22.041 1.00 12.22 N ATOM 841 CA GLU A 58 -9.626 2.370 -20.989 1.00 60.15 C ATOM 842 C GLU A 58 -9.837 3.006 -19.609 1.00 33.10 C ATOM 843 O GLU A 58 -10.025 2.306 -18.610 1.00 31.32 O ATOM 844 CB GLU A 58 -8.129 2.225 -21.279 1.00 74.11 C ATOM 845 CG GLU A 58 -7.504 0.989 -20.661 1.00 63.14 C ATOM 846 CD GLU A 58 -7.967 -0.293 -21.339 1.00 0.13 C ATOM 847 OE1 GLU A 58 -7.316 -0.710 -22.326 1.00 74.42 O ATOM 848 OE2 GLU A 58 -8.981 -0.874 -20.898 1.00 52.44 O ATOM 0 H GLU A 58 -9.569 3.698 -22.601 1.00 12.22 H new ATOM 0 HA GLU A 58 -10.100 1.388 -20.975 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -7.978 2.196 -22.358 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -7.609 3.108 -20.908 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -6.418 1.061 -20.728 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -7.756 0.948 -19.601 1.00 63.14 H new ATOM 855 N HIS A 59 -9.799 4.340 -19.571 1.00 11.51 N ATOM 856 CA HIS A 59 -9.961 5.111 -18.330 1.00 45.14 C ATOM 857 C HIS A 59 -8.771 4.908 -17.377 1.00 52.43 C ATOM 858 O HIS A 59 -7.803 5.667 -17.428 1.00 13.30 O ATOM 859 CB HIS A 59 -11.296 4.771 -17.639 1.00 40.10 C ATOM 860 CG HIS A 59 -11.457 5.374 -16.274 1.00 63.15 C ATOM 861 ND1 HIS A 59 -11.610 4.616 -15.131 1.00 32.20 N ATOM 862 CD2 HIS A 59 -11.500 6.668 -15.874 1.00 71.52 C ATOM 863 CE1 HIS A 59 -11.734 5.416 -14.090 1.00 40.20 C ATOM 864 NE2 HIS A 59 -11.670 6.666 -14.511 1.00 25.42 N ATOM 0 H HIS A 59 -9.655 4.919 -20.398 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.982 6.167 -18.599 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -12.116 5.110 -18.272 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -11.384 3.688 -17.557 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -11.416 7.538 -16.508 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -11.866 5.102 -13.065 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -11.736 7.495 -13.920 1.00 25.42 H new ATOM 873 N TRP A 60 -8.834 3.872 -16.536 1.00 72.13 N ATOM 874 CA TRP A 60 -7.814 3.629 -15.507 1.00 71.34 C ATOM 875 C TRP A 60 -7.838 2.165 -15.057 1.00 40.15 C ATOM 876 O TRP A 60 -8.595 1.805 -14.150 1.00 70.12 O ATOM 877 CB TRP A 60 -8.038 4.544 -14.284 1.00 31.04 C ATOM 878 CG TRP A 60 -7.200 5.793 -14.269 1.00 11.01 C ATOM 879 CD1 TRP A 60 -7.534 7.020 -14.771 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.890 5.936 -13.702 1.00 62.15 C ATOM 881 NE1 TRP A 60 -6.509 7.909 -14.560 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.490 7.269 -13.906 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.015 5.064 -13.045 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.255 7.751 -13.478 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -3.788 5.544 -12.619 1.00 24.12 C ATOM 886 CH2 TRP A 60 -3.420 6.878 -12.836 1.00 3.21 C ATOM 0 H TRP A 60 -9.586 3.183 -16.547 1.00 72.13 H new ATOM 0 HA TRP A 60 -6.842 3.854 -15.945 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -9.090 4.828 -14.248 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -7.831 3.974 -13.378 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -8.467 7.255 -15.261 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -6.507 8.888 -14.845 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.292 4.034 -12.873 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -3.967 8.778 -13.647 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -3.104 4.880 -12.112 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -2.458 7.224 -12.489 1.00 3.21 H new ATOM 897 N PRO A 61 -7.038 1.295 -15.701 1.00 53.15 N ATOM 898 CA PRO A 61 -6.903 -0.110 -15.302 1.00 60.42 C ATOM 899 C PRO A 61 -5.954 -0.271 -14.112 1.00 63.32 C ATOM 900 O PRO A 61 -5.513 0.718 -13.518 1.00 74.04 O ATOM 901 CB PRO A 61 -6.330 -0.798 -16.560 1.00 23.13 C ATOM 902 CG PRO A 61 -6.216 0.272 -17.604 1.00 54.12 C ATOM 903 CD PRO A 61 -6.218 1.590 -16.878 1.00 12.01 C ATOM 0 HA PRO A 61 -7.851 -0.539 -14.976 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -5.358 -1.244 -16.351 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -6.984 -1.602 -16.896 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -5.300 0.151 -18.183 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -7.047 0.217 -18.307 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -5.211 1.905 -16.604 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -6.648 2.388 -17.484 1.00 12.01 H new ATOM 911 N ASP A 62 -5.639 -1.518 -13.774 1.00 32.11 N ATOM 912 CA ASP A 62 -4.765 -1.817 -12.638 1.00 14.31 C ATOM 913 C ASP A 62 -3.302 -1.489 -12.942 1.00 34.34 C ATOM 914 O ASP A 62 -2.922 -1.257 -14.096 1.00 74.44 O ATOM 915 CB ASP A 62 -4.916 -3.286 -12.216 1.00 44.51 C ATOM 916 CG ASP A 62 -6.205 -3.536 -11.445 1.00 24.42 C ATOM 917 OD1 ASP A 62 -7.296 -3.435 -12.047 1.00 61.41 O ATOM 918 OD2 ASP A 62 -6.137 -3.807 -10.226 1.00 14.01 O ATOM 0 H ASP A 62 -5.976 -2.342 -14.271 1.00 32.11 H new ATOM 0 HA ASP A 62 -5.074 -1.180 -11.809 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -4.897 -3.920 -13.102 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -4.065 -3.574 -11.599 1.00 44.51 H new ATOM 923 N ILE A 63 -2.487 -1.506 -11.892 1.00 0.00 N ATOM 924 CA ILE A 63 -1.113 -1.012 -11.946 1.00 44.50 C ATOM 925 C ILE A 63 -0.088 -2.149 -12.050 1.00 32.32 C ATOM 926 O ILE A 63 -0.078 -3.060 -11.218 1.00 13.12 O ATOM 927 CB ILE A 63 -0.805 -0.151 -10.686 1.00 41.40 C ATOM 928 CG1 ILE A 63 0.673 0.271 -10.644 1.00 23.02 C ATOM 929 CG2 ILE A 63 -1.183 -0.903 -9.408 1.00 3.52 C ATOM 930 CD1 ILE A 63 1.013 1.180 -9.481 1.00 43.03 C ATOM 0 H ILE A 63 -2.760 -1.863 -10.977 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.027 -0.404 -12.846 1.00 44.50 H new ATOM 0 HB ILE A 63 -1.411 0.753 -10.748 1.00 41.40 H new ATOM 0 HG12 ILE A 63 1.295 -0.622 -10.590 1.00 23.02 H new ATOM 0 HG13 ILE A 63 0.924 0.778 -11.576 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -0.959 -0.282 -8.541 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -2.248 -1.134 -9.423 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -0.612 -1.829 -9.348 1.00 3.52 H new ATOM 0 HD11 ILE A 63 2.072 1.436 -9.517 1.00 43.03 H new ATOM 0 HD12 ILE A 63 0.417 2.091 -9.545 1.00 43.03 H new ATOM 0 HD13 ILE A 63 0.795 0.668 -8.544 1.00 43.03 H new ATOM 942 N ARG A 64 0.757 -2.086 -13.089 1.00 63.13 N ATOM 943 CA ARG A 64 1.927 -2.967 -13.225 1.00 42.30 C ATOM 944 C ARG A 64 2.665 -2.655 -14.544 1.00 24.20 C ATOM 945 O ARG A 64 2.098 -1.999 -15.425 1.00 71.42 O ATOM 946 CB ARG A 64 1.536 -4.465 -13.138 1.00 5.01 C ATOM 947 CG ARG A 64 1.151 -5.127 -14.456 1.00 72.23 C ATOM 948 CD ARG A 64 -0.171 -4.623 -15.018 1.00 23.51 C ATOM 949 NE ARG A 64 -0.509 -5.338 -16.252 1.00 24.12 N ATOM 950 CZ ARG A 64 -1.508 -5.018 -17.069 1.00 51.34 C ATOM 951 NH1 ARG A 64 -2.325 -4.011 -16.775 1.00 21.41 N ATOM 952 NH2 ARG A 64 -1.695 -5.717 -18.180 1.00 1.45 N ATOM 0 H ARG A 64 0.649 -1.424 -13.858 1.00 63.13 H new ATOM 0 HA ARG A 64 2.600 -2.772 -12.390 1.00 42.30 H new ATOM 0 HB2 ARG A 64 2.373 -5.015 -12.707 1.00 5.01 H new ATOM 0 HB3 ARG A 64 0.700 -4.563 -12.446 1.00 5.01 H new ATOM 0 HG2 ARG A 64 1.940 -4.951 -15.187 1.00 72.23 H new ATOM 0 HG3 ARG A 64 1.088 -6.205 -14.309 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -0.963 -4.762 -14.282 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -0.104 -3.553 -15.217 1.00 23.51 H new ATOM 0 HE ARG A 64 0.066 -6.142 -16.503 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -2.188 -3.477 -15.917 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -3.089 -3.773 -17.408 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -1.074 -6.495 -18.404 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -2.459 -5.477 -18.811 1.00 1.45 H new ATOM 966 N PRO A 65 3.938 -3.104 -14.696 1.00 13.42 N ATOM 967 CA PRO A 65 4.759 -2.818 -15.894 1.00 21.15 C ATOM 968 C PRO A 65 4.178 -3.408 -17.188 1.00 52.11 C ATOM 969 O PRO A 65 3.049 -3.910 -17.210 1.00 62.12 O ATOM 970 CB PRO A 65 6.118 -3.464 -15.567 1.00 31.52 C ATOM 971 CG PRO A 65 5.811 -4.488 -14.529 1.00 32.30 C ATOM 972 CD PRO A 65 4.691 -3.909 -13.711 1.00 31.11 C ATOM 0 HA PRO A 65 4.813 -1.747 -16.087 1.00 21.15 H new ATOM 0 HB2 PRO A 65 6.563 -3.919 -16.452 1.00 31.52 H new ATOM 0 HB3 PRO A 65 6.829 -2.725 -15.196 1.00 31.52 H new ATOM 0 HG2 PRO A 65 5.516 -5.433 -14.985 1.00 32.30 H new ATOM 0 HG3 PRO A 65 6.684 -4.693 -13.909 1.00 32.30 H new ATOM 0 HD2 PRO A 65 4.070 -4.688 -13.268 1.00 31.11 H new ATOM 0 HD3 PRO A 65 5.066 -3.296 -12.891 1.00 31.11 H new ATOM 980 N LYS A 66 4.972 -3.355 -18.265 1.00 32.35 N ATOM 981 CA LYS A 66 4.519 -3.759 -19.600 1.00 12.54 C ATOM 982 C LYS A 66 4.163 -5.251 -19.641 1.00 64.54 C ATOM 983 O LYS A 66 4.985 -6.092 -20.004 1.00 64.34 O ATOM 984 CB LYS A 66 5.599 -3.447 -20.654 1.00 13.42 C ATOM 985 CG LYS A 66 5.084 -3.441 -22.097 1.00 20.12 C ATOM 986 CD LYS A 66 6.228 -3.454 -23.114 1.00 14.20 C ATOM 987 CE LYS A 66 5.747 -3.125 -24.527 1.00 34.20 C ATOM 988 NZ LYS A 66 5.412 -1.681 -24.687 1.00 63.22 N ATOM 0 H LYS A 66 5.939 -3.033 -18.235 1.00 32.35 H new ATOM 0 HA LYS A 66 3.620 -3.188 -19.831 1.00 12.54 H new ATOM 0 HB2 LYS A 66 6.037 -2.474 -20.432 1.00 13.42 H new ATOM 0 HB3 LYS A 66 6.398 -4.183 -20.568 1.00 13.42 H new ATOM 0 HG2 LYS A 66 4.446 -4.310 -22.258 1.00 20.12 H new ATOM 0 HG3 LYS A 66 4.466 -2.558 -22.258 1.00 20.12 H new ATOM 0 HD2 LYS A 66 6.988 -2.732 -22.813 1.00 14.20 H new ATOM 0 HD3 LYS A 66 6.702 -4.435 -23.113 1.00 14.20 H new ATOM 0 HE2 LYS A 66 6.520 -3.398 -25.245 1.00 34.20 H new ATOM 0 HE3 LYS A 66 4.869 -3.728 -24.759 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 4.456 -1.589 -25.086 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 5.446 -1.212 -23.760 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 6.099 -1.234 -25.327 1.00 63.22 H new ATOM 1002 N SER A 67 2.939 -5.563 -19.240 1.00 62.31 N ATOM 1003 CA SER A 67 2.417 -6.925 -19.280 1.00 54.23 C ATOM 1004 C SER A 67 0.999 -6.890 -19.844 1.00 53.41 C ATOM 1005 O SER A 67 0.068 -7.480 -19.296 1.00 22.22 O ATOM 1006 CB SER A 67 2.437 -7.524 -17.868 1.00 60.21 C ATOM 1007 OG SER A 67 1.861 -6.626 -16.934 1.00 72.44 O ATOM 0 H SER A 67 2.277 -4.878 -18.876 1.00 62.31 H new ATOM 0 HA SER A 67 3.036 -7.552 -19.921 1.00 54.23 H new ATOM 0 HB2 SER A 67 1.889 -8.466 -17.860 1.00 60.21 H new ATOM 0 HB3 SER A 67 3.463 -7.750 -17.578 1.00 60.21 H new ATOM 0 HG SER A 67 2.320 -5.762 -16.985 1.00 72.44 H new ATOM 1013 N LEU A 68 0.862 -6.164 -20.949 1.00 64.11 N ATOM 1014 CA LEU A 68 -0.435 -5.906 -21.573 1.00 43.11 C ATOM 1015 C LEU A 68 -1.082 -7.190 -22.104 1.00 71.30 C ATOM 1016 O LEU A 68 -2.307 -7.268 -22.221 1.00 53.54 O ATOM 1017 CB LEU A 68 -0.286 -4.866 -22.701 1.00 3.52 C ATOM 1018 CG LEU A 68 0.476 -5.316 -23.968 1.00 74.14 C ATOM 1019 CD1 LEU A 68 0.373 -4.250 -25.058 1.00 65.05 C ATOM 1020 CD2 LEU A 68 1.944 -5.623 -23.665 1.00 63.42 C ATOM 0 H LEU A 68 1.648 -5.736 -21.439 1.00 64.11 H new ATOM 0 HA LEU A 68 -1.097 -5.506 -20.805 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -1.284 -4.545 -23.001 1.00 3.52 H new ATOM 0 HB3 LEU A 68 0.221 -3.992 -22.292 1.00 3.52 H new ATOM 0 HG LEU A 68 0.011 -6.235 -24.323 1.00 74.14 H new ATOM 0 HD11 LEU A 68 0.915 -4.582 -25.944 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -0.675 -4.090 -25.312 1.00 65.05 H new ATOM 0 HD13 LEU A 68 0.805 -3.317 -24.697 1.00 65.05 H new ATOM 0 HD21 LEU A 68 2.447 -5.936 -24.580 1.00 63.42 H new ATOM 0 HD22 LEU A 68 2.429 -4.729 -23.272 1.00 63.42 H new ATOM 0 HD23 LEU A 68 2.004 -6.423 -22.927 1.00 63.42 H new ATOM 1032 N ARG A 69 -0.266 -8.196 -22.418 1.00 72.54 N ATOM 1033 CA ARG A 69 -0.777 -9.461 -22.949 1.00 51.11 C ATOM 1034 C ARG A 69 -0.453 -10.614 -22.004 1.00 31.31 C ATOM 1035 O ARG A 69 0.714 -10.976 -21.848 1.00 25.43 O ATOM 1036 CB ARG A 69 -0.191 -9.753 -24.336 1.00 23.24 C ATOM 1037 CG ARG A 69 -0.494 -8.684 -25.380 1.00 3.32 C ATOM 1038 CD ARG A 69 -0.028 -9.102 -26.770 1.00 63.15 C ATOM 1039 NE ARG A 69 1.395 -9.459 -26.802 1.00 63.40 N ATOM 1040 CZ ARG A 69 2.111 -9.579 -27.924 1.00 21.44 C ATOM 1041 NH1 ARG A 69 1.547 -9.346 -29.104 1.00 44.15 N ATOM 1042 NH2 ARG A 69 3.390 -9.930 -27.860 1.00 11.13 N ATOM 0 H ARG A 69 0.748 -8.161 -22.315 1.00 72.54 H new ATOM 0 HA ARG A 69 -1.859 -9.367 -23.038 1.00 51.11 H new ATOM 0 HB2 ARG A 69 0.890 -9.861 -24.246 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -0.579 -10.709 -24.688 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -1.566 -8.489 -25.400 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -0.005 -7.752 -25.098 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -0.620 -9.952 -27.108 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -0.211 -8.288 -27.471 1.00 63.15 H new ATOM 0 HE ARG A 69 1.867 -9.626 -25.913 1.00 63.40 H new ATOM 0 HH11 ARG A 69 0.565 -9.075 -29.155 1.00 44.15 H new ATOM 0 HH12 ARG A 69 2.096 -9.438 -29.959 1.00 44.15 H new ATOM 0 HH21 ARG A 69 3.825 -10.108 -26.955 1.00 11.13 H new ATOM 0 HH22 ARG A 69 3.937 -10.022 -28.716 1.00 11.13 H new ATOM 1056 N ASP A 70 -1.495 -11.171 -21.387 1.00 3.11 N ATOM 1057 CA ASP A 70 -1.383 -12.325 -20.486 1.00 55.45 C ATOM 1058 C ASP A 70 -0.517 -12.037 -19.261 1.00 61.12 C ATOM 1059 O ASP A 70 0.662 -11.703 -19.373 1.00 62.15 O ATOM 1060 CB ASP A 70 -0.846 -13.566 -21.220 1.00 35.03 C ATOM 1061 CG ASP A 70 -1.897 -14.223 -22.099 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -2.908 -14.717 -21.550 1.00 72.12 O ATOM 1063 OD2 ASP A 70 -1.719 -14.264 -23.335 1.00 32.01 O ATOM 0 H ASP A 70 -2.451 -10.833 -21.498 1.00 3.11 H new ATOM 0 HA ASP A 70 -2.396 -12.527 -20.138 1.00 55.45 H new ATOM 0 HB2 ASP A 70 0.008 -13.280 -21.833 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -0.485 -14.289 -20.488 1.00 35.03 H new ATOM 1068 N LYS A 71 -1.107 -12.202 -18.082 1.00 32.23 N ATOM 1069 CA LYS A 71 -0.372 -12.086 -16.828 1.00 5.13 C ATOM 1070 C LYS A 71 0.478 -13.342 -16.625 1.00 53.24 C ATOM 1071 O LYS A 71 0.261 -14.120 -15.692 1.00 70.21 O ATOM 1072 CB LYS A 71 -1.358 -11.885 -15.666 1.00 1.23 C ATOM 1073 CG LYS A 71 -0.711 -11.650 -14.299 1.00 12.31 C ATOM 1074 CD LYS A 71 0.323 -10.524 -14.326 1.00 64.40 C ATOM 1075 CE LYS A 71 0.821 -10.175 -12.926 1.00 71.42 C ATOM 1076 NZ LYS A 71 1.250 -11.377 -12.160 1.00 55.15 N ATOM 0 H LYS A 71 -2.097 -12.418 -17.969 1.00 32.23 H new ATOM 0 HA LYS A 71 0.291 -11.221 -16.860 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -2.000 -11.035 -15.898 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -2.002 -12.762 -15.600 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -1.486 -11.410 -13.571 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -0.232 -12.570 -13.964 1.00 12.31 H new ATOM 0 HD2 LYS A 71 1.167 -10.821 -14.948 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -0.116 -9.639 -14.786 1.00 64.40 H new ATOM 0 HE2 LYS A 71 1.657 -9.480 -13.004 1.00 71.42 H new ATOM 0 HE3 LYS A 71 0.030 -9.662 -12.379 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 1.778 -11.080 -11.315 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 0.412 -11.922 -11.871 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 1.859 -11.971 -12.758 1.00 55.15 H new ATOM 1090 N LEU A 72 1.437 -13.544 -17.523 1.00 31.23 N ATOM 1091 CA LEU A 72 2.252 -14.753 -17.529 1.00 75.41 C ATOM 1092 C LEU A 72 3.477 -14.545 -18.419 1.00 62.01 C ATOM 1093 O LEU A 72 4.610 -14.806 -18.007 1.00 24.31 O ATOM 1094 CB LEU A 72 1.404 -15.951 -18.022 1.00 44.43 C ATOM 1095 CG LEU A 72 1.971 -17.368 -17.764 1.00 35.43 C ATOM 1096 CD1 LEU A 72 3.174 -17.675 -18.658 1.00 41.32 C ATOM 1097 CD2 LEU A 72 2.333 -17.541 -16.290 1.00 22.35 C ATOM 0 H LEU A 72 1.670 -12.880 -18.261 1.00 31.23 H new ATOM 0 HA LEU A 72 2.596 -14.969 -16.518 1.00 75.41 H new ATOM 0 HB2 LEU A 72 0.423 -15.888 -17.551 1.00 44.43 H new ATOM 0 HB3 LEU A 72 1.250 -15.838 -19.095 1.00 44.43 H new ATOM 0 HG LEU A 72 1.189 -18.084 -18.018 1.00 35.43 H new ATOM 0 HD11 LEU A 72 3.540 -18.679 -18.444 1.00 41.32 H new ATOM 0 HD12 LEU A 72 2.875 -17.614 -19.704 1.00 41.32 H new ATOM 0 HD13 LEU A 72 3.966 -16.951 -18.464 1.00 41.32 H new ATOM 0 HD21 LEU A 72 2.730 -18.543 -16.128 1.00 22.35 H new ATOM 0 HD22 LEU A 72 3.085 -16.803 -16.011 1.00 22.35 H new ATOM 0 HD23 LEU A 72 1.442 -17.400 -15.678 1.00 22.35 H new ATOM 1109 N ALA A 73 3.242 -14.054 -19.632 1.00 21.05 N ATOM 1110 CA ALA A 73 4.304 -13.878 -20.621 1.00 32.42 C ATOM 1111 C ALA A 73 4.249 -12.475 -21.221 1.00 24.44 C ATOM 1112 O ALA A 73 3.621 -11.577 -20.663 1.00 3.22 O ATOM 1113 CB ALA A 73 4.177 -14.941 -21.709 1.00 13.24 C ATOM 0 H ALA A 73 2.318 -13.768 -19.957 1.00 21.05 H new ATOM 0 HA ALA A 73 5.270 -13.995 -20.131 1.00 32.42 H new ATOM 0 HB1 ALA A 73 4.971 -14.806 -22.444 1.00 13.24 H new ATOM 0 HB2 ALA A 73 4.261 -15.931 -21.262 1.00 13.24 H new ATOM 0 HB3 ALA A 73 3.208 -14.846 -22.199 1.00 13.24 H new ATOM 1119 N THR A 74 4.936 -12.286 -22.341 1.00 10.11 N ATOM 1120 CA THR A 74 4.919 -11.021 -23.055 1.00 74.24 C ATOM 1121 C THR A 74 4.950 -11.264 -24.565 1.00 61.13 C ATOM 1122 O THR A 74 4.100 -10.761 -25.310 1.00 15.44 O ATOM 1123 CB THR A 74 6.122 -10.153 -22.633 1.00 41.53 C ATOM 1124 OG1 THR A 74 6.103 -9.962 -21.210 1.00 14.22 O ATOM 1125 CG2 THR A 74 6.099 -8.805 -23.336 1.00 11.04 C ATOM 0 H THR A 74 5.517 -13.003 -22.776 1.00 10.11 H new ATOM 0 HA THR A 74 4.000 -10.492 -22.804 1.00 74.24 H new ATOM 0 HB THR A 74 7.037 -10.670 -22.922 1.00 41.53 H new ATOM 0 HG1 THR A 74 6.869 -9.412 -20.944 1.00 14.22 H new ATOM 0 HG21 THR A 74 6.959 -8.215 -23.019 1.00 11.04 H new ATOM 0 HG22 THR A 74 6.140 -8.956 -24.415 1.00 11.04 H new ATOM 0 HG23 THR A 74 5.181 -8.276 -23.079 1.00 11.04 H new ATOM 1133 N GLY A 75 5.929 -12.052 -25.004 1.00 52.32 N ATOM 1134 CA GLY A 75 6.078 -12.375 -26.412 1.00 72.52 C ATOM 1135 C GLY A 75 7.530 -12.326 -26.842 1.00 42.43 C ATOM 1136 O GLY A 75 8.429 -12.516 -26.018 1.00 43.23 O ATOM 0 H GLY A 75 6.631 -12.478 -24.399 1.00 52.32 H new ATOM 0 HA2 GLY A 75 5.674 -13.369 -26.603 1.00 72.52 H new ATOM 0 HA3 GLY A 75 5.496 -11.674 -27.011 1.00 72.52 H new ATOM 1140 N ARG A 76 7.762 -12.079 -28.125 1.00 35.04 N ATOM 1141 CA ARG A 76 9.099 -11.961 -28.668 1.00 4.50 C ATOM 1142 C ARG A 76 9.087 -11.018 -29.865 1.00 12.31 C ATOM 1143 O ARG A 76 8.047 -10.815 -30.497 1.00 73.20 O ATOM 1144 CB ARG A 76 9.627 -13.334 -29.072 1.00 60.21 C ATOM 1145 CG ARG A 76 8.742 -14.068 -30.065 1.00 70.14 C ATOM 1146 CD ARG A 76 9.250 -15.475 -30.331 1.00 54.54 C ATOM 1147 NE ARG A 76 9.293 -16.285 -29.109 1.00 2.04 N ATOM 1148 CZ ARG A 76 8.930 -17.567 -29.043 1.00 41.13 C ATOM 1149 NH1 ARG A 76 8.502 -18.199 -30.126 1.00 34.14 N ATOM 1150 NH2 ARG A 76 9.004 -18.218 -27.890 1.00 60.43 N ATOM 0 H ARG A 76 7.022 -11.955 -28.816 1.00 35.04 H new ATOM 0 HA ARG A 76 9.760 -11.551 -27.905 1.00 4.50 H new ATOM 0 HB2 ARG A 76 10.621 -13.217 -29.504 1.00 60.21 H new ATOM 0 HB3 ARG A 76 9.738 -13.947 -28.178 1.00 60.21 H new ATOM 0 HG2 ARG A 76 7.723 -14.115 -29.680 1.00 70.14 H new ATOM 0 HG3 ARG A 76 8.704 -13.511 -31.001 1.00 70.14 H new ATOM 0 HD2 ARG A 76 8.606 -15.960 -31.065 1.00 54.54 H new ATOM 0 HD3 ARG A 76 10.248 -15.424 -30.767 1.00 54.54 H new ATOM 0 HE ARG A 76 9.622 -15.839 -28.253 1.00 2.04 H new ATOM 0 HH11 ARG A 76 8.449 -17.705 -31.017 1.00 34.14 H new ATOM 0 HH12 ARG A 76 8.226 -19.179 -30.069 1.00 34.14 H new ATOM 0 HH21 ARG A 76 9.338 -17.738 -27.054 1.00 60.43 H new ATOM 0 HH22 ARG A 76 8.727 -19.198 -27.839 1.00 60.43 H new ATOM 1164 N GLY A 77 10.236 -10.434 -30.158 1.00 43.11 N ATOM 1165 CA GLY A 77 10.346 -9.517 -31.276 1.00 54.42 C ATOM 1166 C GLY A 77 11.787 -9.188 -31.609 1.00 15.24 C ATOM 1167 O GLY A 77 12.430 -8.408 -30.904 1.00 61.11 O ATOM 0 H GLY A 77 11.102 -10.578 -29.639 1.00 43.11 H new ATOM 0 HA2 GLY A 77 9.864 -9.954 -32.150 1.00 54.42 H new ATOM 0 HA3 GLY A 77 9.810 -8.597 -31.043 1.00 54.42 H new ATOM 1171 N PHE A 78 12.298 -9.789 -32.676 1.00 22.23 N ATOM 1172 CA PHE A 78 13.666 -9.551 -33.132 1.00 73.44 C ATOM 1173 C PHE A 78 13.801 -10.019 -34.583 1.00 12.01 C ATOM 1174 O PHE A 78 12.821 -10.481 -35.171 1.00 2.23 O ATOM 1175 CB PHE A 78 14.669 -10.277 -32.214 1.00 60.31 C ATOM 1176 CG PHE A 78 16.106 -9.856 -32.418 1.00 23.21 C ATOM 1177 CD1 PHE A 78 16.507 -8.559 -32.128 1.00 25.02 C ATOM 1178 CD2 PHE A 78 17.051 -10.751 -32.899 1.00 23.21 C ATOM 1179 CE1 PHE A 78 17.818 -8.164 -32.314 1.00 31.41 C ATOM 1180 CE2 PHE A 78 18.364 -10.361 -33.085 1.00 21.11 C ATOM 1181 CZ PHE A 78 18.747 -9.066 -32.793 1.00 42.13 C ATOM 0 H PHE A 78 11.779 -10.454 -33.250 1.00 22.23 H new ATOM 0 HA PHE A 78 13.890 -8.485 -33.086 1.00 73.44 H new ATOM 0 HB2 PHE A 78 14.392 -10.096 -31.175 1.00 60.31 H new ATOM 0 HB3 PHE A 78 14.588 -11.351 -32.383 1.00 60.31 H new ATOM 0 HD1 PHE A 78 15.785 -7.849 -31.752 1.00 25.02 H new ATOM 0 HD2 PHE A 78 16.757 -11.764 -33.131 1.00 23.21 H new ATOM 0 HE1 PHE A 78 18.115 -7.151 -32.085 1.00 31.41 H new ATOM 0 HE2 PHE A 78 19.090 -11.068 -33.458 1.00 21.11 H new ATOM 0 HZ PHE A 78 19.772 -8.760 -32.939 1.00 42.13 H new ATOM 1191 N ASP A 79 15.001 -9.873 -35.158 1.00 52.44 N ATOM 1192 CA ASP A 79 15.271 -10.277 -36.546 1.00 4.14 C ATOM 1193 C ASP A 79 14.596 -9.306 -37.517 1.00 34.43 C ATOM 1194 O ASP A 79 14.445 -9.578 -38.710 1.00 22.44 O ATOM 1195 CB ASP A 79 14.819 -11.733 -36.796 1.00 50.33 C ATOM 1196 CG ASP A 79 15.199 -12.250 -38.177 1.00 31.15 C ATOM 1197 OD1 ASP A 79 16.397 -12.199 -38.527 1.00 74.11 O ATOM 1198 OD2 ASP A 79 14.304 -12.719 -38.916 1.00 63.52 O ATOM 0 H ASP A 79 15.808 -9.474 -34.679 1.00 52.44 H new ATOM 0 HA ASP A 79 16.347 -10.238 -36.719 1.00 4.14 H new ATOM 0 HB2 ASP A 79 15.262 -12.379 -36.038 1.00 50.33 H new ATOM 0 HB3 ASP A 79 13.737 -11.797 -36.676 1.00 50.33 H new ATOM 1203 N GLN A 80 14.221 -8.147 -36.986 1.00 32.33 N ATOM 1204 CA GLN A 80 13.567 -7.104 -37.764 1.00 51.35 C ATOM 1205 C GLN A 80 14.593 -6.372 -38.633 1.00 60.12 C ATOM 1206 O GLN A 80 14.392 -6.294 -39.861 1.00 14.05 O ATOM 1207 CB GLN A 80 12.827 -6.130 -36.830 1.00 42.55 C ATOM 1208 CG GLN A 80 13.692 -5.555 -35.709 1.00 4.25 C ATOM 1209 CD GLN A 80 12.910 -4.674 -34.750 1.00 22.13 C ATOM 1210 OE1 GLN A 80 11.712 -4.877 -34.535 1.00 60.13 O ATOM 1211 NE2 GLN A 80 13.579 -3.690 -34.167 1.00 63.52 N ATOM 1212 OXT GLN A 80 15.624 -5.920 -38.089 1.00 0.00 O ATOM 0 H GLN A 80 14.362 -7.906 -36.005 1.00 32.33 H new ATOM 0 HA GLN A 80 12.830 -7.560 -38.426 1.00 51.35 H new ATOM 0 HB2 GLN A 80 12.428 -5.307 -37.424 1.00 42.55 H new ATOM 0 HB3 GLN A 80 11.975 -6.646 -36.387 1.00 42.55 H new ATOM 0 HG2 GLN A 80 14.148 -6.374 -35.152 1.00 4.25 H new ATOM 0 HG3 GLN A 80 14.505 -4.975 -36.146 1.00 4.25 H new ATOM 0 HE21 GLN A 80 14.569 -3.555 -34.371 1.00 63.52 H new ATOM 0 HE22 GLN A 80 13.104 -3.067 -33.514 1.00 63.52 H new TER 1221 GLN A 80