USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 852 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 35 CYS SG : rot 3:sc= 0.00207 USER MOD Set 1.2: A 85 CYS SG : rot 93:sc= 1.7 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 39:sc= 0.324 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.322) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc=0.000429 USER MOD Single : A 47 THR OG1 : rot -24:sc= 0.163 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 0.275 (180deg=0.1) USER MOD Single : A 56 SER OG : rot 180:sc= 0.525 USER MOD Single : A 62 GLN : amide:sc= -0.786 K(o=-0.79,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0.00476 (180deg=0.00441) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.5!) USER MOD Single : A 80 SER OG : rot -160:sc= -0.647 USER MOD Single : A 83 TYR OH : rot -15:sc= 0.198 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -0:sc= 0.42 USER MOD Single : A 111 SER OG : rot -10:sc= 0.234 USER MOD Single : A 112 SER OG : rot 180:sc= -0.0298 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.272 -13.283 -18.352 1.00 0.00 N ATOM 2 CA GLY A 1 10.710 -13.245 -18.158 1.00 0.00 C ATOM 3 C GLY A 1 11.317 -14.629 -18.048 1.00 0.00 C ATOM 4 O GLY A 1 11.985 -15.097 -18.970 1.00 0.00 O ATOM 0 H1 GLY A 1 8.905 -12.312 -18.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.053 -13.799 -19.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.826 -13.765 -17.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.172 -12.714 -18.991 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.937 -12.679 -17.254 1.00 0.00 H new ATOM 8 N SER A 2 11.086 -15.287 -16.916 1.00 0.00 N ATOM 9 CA SER A 2 11.620 -16.624 -16.686 1.00 0.00 C ATOM 10 C SER A 2 11.421 -17.507 -17.914 1.00 0.00 C ATOM 11 O SER A 2 10.304 -17.657 -18.410 1.00 0.00 O ATOM 12 CB SER A 2 10.946 -17.263 -15.470 1.00 0.00 C ATOM 13 OG SER A 2 11.276 -18.637 -15.368 1.00 0.00 O ATOM 0 H SER A 2 10.532 -14.916 -16.144 1.00 0.00 H new ATOM 0 HA SER A 2 12.689 -16.533 -16.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.256 -16.743 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.865 -17.150 -15.548 1.00 0.00 H new ATOM 0 HG SER A 2 10.834 -19.022 -14.582 1.00 0.00 H new ATOM 19 N SER A 3 12.512 -18.089 -18.401 1.00 0.00 N ATOM 20 CA SER A 3 12.460 -18.954 -19.573 1.00 0.00 C ATOM 21 C SER A 3 11.473 -20.098 -19.361 1.00 0.00 C ATOM 22 O SER A 3 10.956 -20.290 -18.261 1.00 0.00 O ATOM 23 CB SER A 3 13.849 -19.515 -19.882 1.00 0.00 C ATOM 24 OG SER A 3 14.002 -19.766 -21.268 1.00 0.00 O ATOM 0 H SER A 3 13.444 -17.977 -18.001 1.00 0.00 H new ATOM 0 HA SER A 3 12.121 -18.357 -20.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.611 -18.810 -19.551 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.004 -20.438 -19.323 1.00 0.00 H new ATOM 0 HG SER A 3 14.899 -20.122 -21.439 1.00 0.00 H new ATOM 30 N GLY A 4 11.216 -20.855 -20.423 1.00 0.00 N ATOM 31 CA GLY A 4 10.291 -21.970 -20.333 1.00 0.00 C ATOM 32 C GLY A 4 10.942 -23.218 -19.771 1.00 0.00 C ATOM 33 O GLY A 4 10.898 -23.460 -18.564 1.00 0.00 O ATOM 0 H GLY A 4 11.632 -20.716 -21.344 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.447 -21.689 -19.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.891 -22.187 -21.323 1.00 0.00 H new ATOM 37 N SER A 5 11.546 -24.015 -20.647 1.00 0.00 N ATOM 38 CA SER A 5 12.204 -25.248 -20.231 1.00 0.00 C ATOM 39 C SER A 5 12.900 -25.066 -18.885 1.00 0.00 C ATOM 40 O SER A 5 12.651 -25.814 -17.940 1.00 0.00 O ATOM 41 CB SER A 5 13.219 -25.690 -21.287 1.00 0.00 C ATOM 42 OG SER A 5 14.005 -26.772 -20.817 1.00 0.00 O ATOM 0 H SER A 5 11.593 -23.829 -21.649 1.00 0.00 H new ATOM 0 HA SER A 5 11.441 -26.019 -20.124 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.697 -25.984 -22.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.866 -24.852 -21.547 1.00 0.00 H new ATOM 0 HG SER A 5 14.645 -27.037 -21.510 1.00 0.00 H new ATOM 48 N SER A 6 13.773 -24.067 -18.808 1.00 0.00 N ATOM 49 CA SER A 6 14.508 -23.788 -17.580 1.00 0.00 C ATOM 50 C SER A 6 15.329 -22.509 -17.717 1.00 0.00 C ATOM 51 O SER A 6 15.921 -22.247 -18.763 1.00 0.00 O ATOM 52 CB SER A 6 15.426 -24.961 -17.232 1.00 0.00 C ATOM 53 OG SER A 6 16.601 -24.942 -18.023 1.00 0.00 O ATOM 0 H SER A 6 13.989 -23.438 -19.581 1.00 0.00 H new ATOM 0 HA SER A 6 13.785 -23.651 -16.776 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.694 -24.916 -16.176 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.895 -25.900 -17.387 1.00 0.00 H new ATOM 0 HG SER A 6 17.171 -25.701 -17.780 1.00 0.00 H new ATOM 59 N GLY A 7 15.358 -21.715 -16.651 1.00 0.00 N ATOM 60 CA GLY A 7 16.108 -20.473 -16.672 1.00 0.00 C ATOM 61 C GLY A 7 16.499 -20.008 -15.283 1.00 0.00 C ATOM 62 O GLY A 7 16.920 -20.808 -14.447 1.00 0.00 O ATOM 0 H GLY A 7 14.876 -21.910 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.007 -20.605 -17.274 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.511 -19.700 -17.156 1.00 0.00 H new ATOM 66 N THR A 8 16.362 -18.709 -15.035 1.00 0.00 N ATOM 67 CA THR A 8 16.706 -18.138 -13.739 1.00 0.00 C ATOM 68 C THR A 8 15.509 -18.158 -12.794 1.00 0.00 C ATOM 69 O THR A 8 14.694 -17.236 -12.791 1.00 0.00 O ATOM 70 CB THR A 8 17.211 -16.689 -13.879 1.00 0.00 C ATOM 71 OG1 THR A 8 18.281 -16.634 -14.829 1.00 0.00 O ATOM 72 CG2 THR A 8 17.687 -16.150 -12.539 1.00 0.00 C ATOM 0 H THR A 8 16.015 -18.033 -15.715 1.00 0.00 H new ATOM 0 HA THR A 8 17.504 -18.754 -13.324 1.00 0.00 H new ATOM 0 HB THR A 8 16.384 -16.071 -14.227 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.596 -15.710 -14.914 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.039 -15.126 -12.663 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.862 -16.167 -11.826 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.502 -16.771 -12.166 1.00 0.00 H new ATOM 80 N ASP A 9 15.411 -19.213 -11.993 1.00 0.00 N ATOM 81 CA ASP A 9 14.315 -19.351 -11.042 1.00 0.00 C ATOM 82 C ASP A 9 14.811 -19.171 -9.611 1.00 0.00 C ATOM 83 O ASP A 9 15.497 -20.037 -9.067 1.00 0.00 O ATOM 84 CB ASP A 9 13.648 -20.719 -11.195 1.00 0.00 C ATOM 85 CG ASP A 9 12.204 -20.714 -10.735 1.00 0.00 C ATOM 86 OD1 ASP A 9 11.972 -20.697 -9.508 1.00 0.00 O ATOM 87 OD2 ASP A 9 11.305 -20.727 -11.602 1.00 0.00 O ATOM 0 H ASP A 9 16.077 -19.985 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 9 13.583 -18.572 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.692 -21.027 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.206 -21.458 -10.621 1.00 0.00 H new ATOM 92 N VAL A 10 14.461 -18.040 -9.006 1.00 0.00 N ATOM 93 CA VAL A 10 14.870 -17.746 -7.638 1.00 0.00 C ATOM 94 C VAL A 10 14.017 -18.512 -6.633 1.00 0.00 C ATOM 95 O VAL A 10 13.055 -19.183 -7.003 1.00 0.00 O ATOM 96 CB VAL A 10 14.773 -16.239 -7.335 1.00 0.00 C ATOM 97 CG1 VAL A 10 15.736 -15.455 -8.213 1.00 0.00 C ATOM 98 CG2 VAL A 10 13.346 -15.749 -7.525 1.00 0.00 C ATOM 0 H VAL A 10 13.895 -17.312 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 10 15.909 -18.062 -7.543 1.00 0.00 H new ATOM 0 HB VAL A 10 15.053 -16.076 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.653 -14.392 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.756 -15.789 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.490 -15.621 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.295 -14.682 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.035 -15.924 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.683 -16.289 -6.849 1.00 0.00 H new ATOM 108 N SER A 11 14.377 -18.405 -5.358 1.00 0.00 N ATOM 109 CA SER A 11 13.647 -19.090 -4.297 1.00 0.00 C ATOM 110 C SER A 11 12.475 -18.244 -3.811 1.00 0.00 C ATOM 111 O SER A 11 11.335 -18.706 -3.773 1.00 0.00 O ATOM 112 CB SER A 11 14.582 -19.408 -3.128 1.00 0.00 C ATOM 113 OG SER A 11 13.877 -20.024 -2.065 1.00 0.00 O ATOM 0 H SER A 11 15.170 -17.851 -5.034 1.00 0.00 H new ATOM 0 HA SER A 11 13.255 -20.023 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.383 -20.065 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.052 -18.490 -2.774 1.00 0.00 H new ATOM 0 HG SER A 11 14.496 -20.219 -1.331 1.00 0.00 H new ATOM 119 N SER A 12 12.764 -17.001 -3.439 1.00 0.00 N ATOM 120 CA SER A 12 11.736 -16.090 -2.951 1.00 0.00 C ATOM 121 C SER A 12 12.004 -14.664 -3.425 1.00 0.00 C ATOM 122 O SER A 12 13.009 -14.056 -3.059 1.00 0.00 O ATOM 123 CB SER A 12 11.674 -16.128 -1.423 1.00 0.00 C ATOM 124 OG SER A 12 12.952 -15.901 -0.855 1.00 0.00 O ATOM 0 H SER A 12 13.702 -16.602 -3.466 1.00 0.00 H new ATOM 0 HA SER A 12 10.777 -16.415 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.974 -15.373 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.294 -17.095 -1.095 1.00 0.00 H new ATOM 0 HG SER A 12 13.425 -15.218 -1.375 1.00 0.00 H new ATOM 130 N TRP A 13 11.097 -14.139 -4.240 1.00 0.00 N ATOM 131 CA TRP A 13 11.234 -12.785 -4.765 1.00 0.00 C ATOM 132 C TRP A 13 11.122 -11.754 -3.647 1.00 0.00 C ATOM 133 O TRP A 13 11.994 -10.899 -3.491 1.00 0.00 O ATOM 134 CB TRP A 13 10.169 -12.518 -5.830 1.00 0.00 C ATOM 135 CG TRP A 13 10.528 -13.062 -7.179 1.00 0.00 C ATOM 136 CD1 TRP A 13 9.896 -14.068 -7.852 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.606 -12.631 -8.018 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.516 -14.288 -9.059 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.566 -13.419 -9.185 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.598 -11.655 -7.898 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.482 -13.260 -10.221 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.507 -11.498 -8.927 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.444 -12.297 -10.077 1.00 0.00 C ATOM 0 H TRP A 13 10.259 -14.630 -4.552 1.00 0.00 H new ATOM 0 HA TRP A 13 12.221 -12.696 -5.219 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.225 -12.958 -5.508 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.008 -11.443 -5.911 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.036 -14.611 -7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.238 -14.986 -9.749 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.654 -11.034 -7.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.435 -13.875 -11.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.279 -10.747 -8.844 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.168 -12.150 -10.864 1.00 0.00 H new ATOM 154 N ILE A 14 10.046 -11.841 -2.873 1.00 0.00 N ATOM 155 CA ILE A 14 9.823 -10.916 -1.769 1.00 0.00 C ATOM 156 C ILE A 14 10.794 -11.181 -0.624 1.00 0.00 C ATOM 157 O ILE A 14 10.615 -12.120 0.151 1.00 0.00 O ATOM 158 CB ILE A 14 8.381 -11.013 -1.236 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.379 -10.775 -2.368 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.164 -10.013 -0.111 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.068 -11.506 -2.178 1.00 0.00 C ATOM 0 H ILE A 14 9.315 -12.543 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 14 9.991 -9.913 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 14 8.222 -12.016 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.181 -9.706 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.827 -11.088 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.140 -10.094 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.858 -10.224 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.338 -9.003 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.407 -11.291 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.254 -12.579 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.598 -11.175 -1.252 1.00 0.00 H new ATOM 173 N VAL A 15 11.824 -10.347 -0.524 1.00 0.00 N ATOM 174 CA VAL A 15 12.823 -10.489 0.528 1.00 0.00 C ATOM 175 C VAL A 15 12.316 -9.919 1.848 1.00 0.00 C ATOM 176 O VAL A 15 12.711 -10.371 2.924 1.00 0.00 O ATOM 177 CB VAL A 15 14.140 -9.785 0.150 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.942 -8.278 0.090 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.240 -10.147 1.136 1.00 0.00 C ATOM 0 H VAL A 15 11.988 -9.566 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 15 13.010 -11.556 0.644 1.00 0.00 H new ATOM 0 HB VAL A 15 14.443 -10.127 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.883 -7.798 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.187 -8.040 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.614 -7.915 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.163 -9.641 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.947 -9.835 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.399 -11.225 1.124 1.00 0.00 H new ATOM 189 N TYR A 16 11.440 -8.925 1.760 1.00 0.00 N ATOM 190 CA TYR A 16 10.880 -8.292 2.947 1.00 0.00 C ATOM 191 C TYR A 16 9.588 -7.552 2.613 1.00 0.00 C ATOM 192 O TYR A 16 9.421 -7.003 1.524 1.00 0.00 O ATOM 193 CB TYR A 16 11.892 -7.322 3.560 1.00 0.00 C ATOM 194 CG TYR A 16 11.262 -6.259 4.431 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.451 -5.273 3.881 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.477 -6.240 5.803 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.873 -4.300 4.673 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.903 -5.271 6.603 1.00 0.00 C ATOM 199 CZ TYR A 16 10.102 -4.303 6.033 1.00 0.00 C ATOM 200 OH TYR A 16 9.529 -3.336 6.826 1.00 0.00 O ATOM 0 H TYR A 16 11.102 -8.540 0.878 1.00 0.00 H new ATOM 0 HA TYR A 16 10.652 -9.075 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.611 -7.887 4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.451 -6.839 2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.270 -5.268 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.104 -6.996 6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.245 -3.541 4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.080 -5.271 7.668 1.00 0.00 H new ATOM 0 HH TYR A 16 9.789 -3.482 7.759 1.00 0.00 H new ATOM 210 N PRO A 17 8.651 -7.537 3.572 1.00 0.00 N ATOM 211 CA PRO A 17 8.838 -8.188 4.872 1.00 0.00 C ATOM 212 C PRO A 17 8.841 -9.709 4.764 1.00 0.00 C ATOM 213 O PRO A 17 8.428 -10.269 3.749 1.00 0.00 O ATOM 214 CB PRO A 17 7.630 -7.712 5.684 1.00 0.00 C ATOM 215 CG PRO A 17 6.592 -7.391 4.665 1.00 0.00 C ATOM 216 CD PRO A 17 7.336 -6.883 3.461 1.00 0.00 C ATOM 0 HA PRO A 17 9.798 -7.933 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.285 -8.485 6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.877 -6.838 6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.004 -8.274 4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.897 -6.640 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.831 -7.152 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.425 -5.797 3.472 1.00 0.00 H new ATOM 224 N SER A 18 9.310 -10.371 5.816 1.00 0.00 N ATOM 225 CA SER A 18 9.370 -11.828 5.837 1.00 0.00 C ATOM 226 C SER A 18 8.205 -12.408 6.634 1.00 0.00 C ATOM 227 O SER A 18 8.402 -13.055 7.662 1.00 0.00 O ATOM 228 CB SER A 18 10.697 -12.296 6.438 1.00 0.00 C ATOM 229 OG SER A 18 11.014 -13.611 6.013 1.00 0.00 O ATOM 0 H SER A 18 9.654 -9.922 6.665 1.00 0.00 H new ATOM 0 HA SER A 18 9.298 -12.185 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.494 -11.613 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.638 -12.266 7.526 1.00 0.00 H new ATOM 0 HG SER A 18 11.867 -13.886 6.409 1.00 0.00 H new ATOM 235 N GLY A 19 6.989 -12.172 6.150 1.00 0.00 N ATOM 236 CA GLY A 19 5.810 -12.677 6.828 1.00 0.00 C ATOM 237 C GLY A 19 4.623 -11.743 6.700 1.00 0.00 C ATOM 238 O GLY A 19 4.522 -10.983 5.737 1.00 0.00 O ATOM 0 H GLY A 19 6.800 -11.640 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.548 -13.652 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.038 -12.827 7.883 1.00 0.00 H new ATOM 242 N LYS A 20 3.720 -11.799 7.673 1.00 0.00 N ATOM 243 CA LYS A 20 2.533 -10.953 7.666 1.00 0.00 C ATOM 244 C LYS A 20 2.794 -9.643 8.403 1.00 0.00 C ATOM 245 O LYS A 20 3.508 -9.615 9.405 1.00 0.00 O ATOM 246 CB LYS A 20 1.354 -11.686 8.310 1.00 0.00 C ATOM 247 CG LYS A 20 0.688 -12.693 7.389 1.00 0.00 C ATOM 248 CD LYS A 20 -0.781 -12.877 7.733 1.00 0.00 C ATOM 249 CE LYS A 20 -0.979 -13.988 8.753 1.00 0.00 C ATOM 250 NZ LYS A 20 -0.664 -13.534 10.136 1.00 0.00 N ATOM 0 H LYS A 20 3.788 -12.422 8.477 1.00 0.00 H new ATOM 0 HA LYS A 20 2.288 -10.724 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.702 -12.200 9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.613 -10.954 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.782 -12.360 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.203 -13.651 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.183 -11.944 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.342 -13.109 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.010 -14.339 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.343 -14.835 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.103 -14.181 10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.367 -13.530 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.036 -12.573 10.279 1.00 0.00 H new ATOM 264 N VAL A 21 2.210 -8.560 7.900 1.00 0.00 N ATOM 265 CA VAL A 21 2.378 -7.247 8.513 1.00 0.00 C ATOM 266 C VAL A 21 1.033 -6.557 8.711 1.00 0.00 C ATOM 267 O VAL A 21 0.232 -6.457 7.781 1.00 0.00 O ATOM 268 CB VAL A 21 3.287 -6.342 7.660 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.408 -4.962 8.289 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.657 -6.979 7.482 1.00 0.00 C ATOM 0 H VAL A 21 1.617 -8.566 7.070 1.00 0.00 H new ATOM 0 HA VAL A 21 2.846 -7.408 9.484 1.00 0.00 H new ATOM 0 HB VAL A 21 2.835 -6.227 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.054 -4.337 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.420 -4.506 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.837 -5.053 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.286 -6.326 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.120 -7.126 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.548 -7.942 6.983 1.00 0.00 H new ATOM 280 N TYR A 22 0.792 -6.082 9.927 1.00 0.00 N ATOM 281 CA TYR A 22 -0.457 -5.402 10.248 1.00 0.00 C ATOM 282 C TYR A 22 -0.272 -3.888 10.236 1.00 0.00 C ATOM 283 O TYR A 22 0.704 -3.365 10.774 1.00 0.00 O ATOM 284 CB TYR A 22 -0.971 -5.853 11.617 1.00 0.00 C ATOM 285 CG TYR A 22 -1.736 -7.156 11.577 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.195 -8.285 10.975 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.001 -7.258 12.143 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.892 -9.477 10.935 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.705 -8.447 12.110 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.146 -9.553 11.505 1.00 0.00 C ATOM 291 OH TYR A 22 -3.842 -10.739 11.469 1.00 0.00 O ATOM 0 H TYR A 22 1.445 -6.155 10.707 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.191 -5.666 9.486 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.125 -5.959 12.297 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.615 -5.076 12.028 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.212 -8.230 10.530 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.442 -6.393 12.617 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.458 -10.344 10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.687 -8.510 12.555 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.707 -10.624 11.915 1.00 0.00 H new ATOM 301 N VAL A 23 -1.219 -3.188 9.618 1.00 0.00 N ATOM 302 CA VAL A 23 -1.163 -1.733 9.536 1.00 0.00 C ATOM 303 C VAL A 23 -2.543 -1.118 9.738 1.00 0.00 C ATOM 304 O VAL A 23 -3.521 -1.549 9.129 1.00 0.00 O ATOM 305 CB VAL A 23 -0.600 -1.269 8.179 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.454 0.245 8.151 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.732 -1.946 7.895 1.00 0.00 C ATOM 0 H VAL A 23 -2.033 -3.605 9.167 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.498 -1.396 10.331 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.302 -1.557 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.055 0.554 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.429 0.707 8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.227 0.560 8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.115 -1.606 6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.444 -1.691 8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.593 -3.027 7.869 1.00 0.00 H new ATOM 317 N ALA A 24 -2.613 -0.107 10.598 1.00 0.00 N ATOM 318 CA ALA A 24 -3.873 0.570 10.879 1.00 0.00 C ATOM 319 C ALA A 24 -3.885 1.976 10.288 1.00 0.00 C ATOM 320 O ALA A 24 -2.975 2.768 10.529 1.00 0.00 O ATOM 321 CB ALA A 24 -4.120 0.624 12.380 1.00 0.00 C ATOM 0 H ALA A 24 -1.812 0.261 11.112 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.675 0.000 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.064 1.132 12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.164 -0.390 12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.308 1.168 12.863 1.00 0.00 H new ATOM 327 N ALA A 25 -4.922 2.278 9.513 1.00 0.00 N ATOM 328 CA ALA A 25 -5.052 3.588 8.889 1.00 0.00 C ATOM 329 C ALA A 25 -6.376 4.246 9.265 1.00 0.00 C ATOM 330 O ALA A 25 -7.199 3.653 9.962 1.00 0.00 O ATOM 331 CB ALA A 25 -4.931 3.467 7.377 1.00 0.00 C ATOM 0 H ALA A 25 -5.684 1.633 9.303 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.244 4.220 9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.030 4.453 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.958 3.047 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.718 2.814 7.000 1.00 0.00 H new ATOM 337 N VAL A 26 -6.573 5.476 8.799 1.00 0.00 N ATOM 338 CA VAL A 26 -7.797 6.214 9.086 1.00 0.00 C ATOM 339 C VAL A 26 -8.296 6.953 7.850 1.00 0.00 C ATOM 340 O VAL A 26 -7.530 7.226 6.926 1.00 0.00 O ATOM 341 CB VAL A 26 -7.587 7.228 10.227 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.890 7.472 10.971 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.503 6.742 11.177 1.00 0.00 C ATOM 0 H VAL A 26 -5.901 5.981 8.222 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.543 5.481 9.394 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.262 8.174 9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.722 8.191 11.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.635 7.867 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.249 6.534 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.367 7.470 11.977 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.797 5.783 11.605 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.567 6.624 10.631 1.00 0.00 H new ATOM 353 N ARG A 27 -9.586 7.274 7.839 1.00 0.00 N ATOM 354 CA ARG A 27 -10.188 7.981 6.715 1.00 0.00 C ATOM 355 C ARG A 27 -9.278 9.106 6.230 1.00 0.00 C ATOM 356 O ARG A 27 -9.071 10.098 6.931 1.00 0.00 O ATOM 357 CB ARG A 27 -11.551 8.550 7.114 1.00 0.00 C ATOM 358 CG ARG A 27 -12.503 8.727 5.943 1.00 0.00 C ATOM 359 CD ARG A 27 -13.954 8.587 6.378 1.00 0.00 C ATOM 360 NE ARG A 27 -14.507 9.852 6.853 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.802 10.147 6.819 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.672 9.272 6.334 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.229 11.320 7.270 1.00 0.00 N ATOM 0 H ARG A 27 -10.234 7.056 8.596 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.323 7.269 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.011 7.888 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.404 9.514 7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.350 9.708 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.279 7.986 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.550 8.222 5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.025 7.840 7.169 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.864 10.547 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -16.348 8.370 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.666 9.501 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.563 11.996 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.223 11.545 7.243 1.00 0.00 H new ATOM 377 N LEU A 28 -8.736 8.944 5.028 1.00 0.00 N ATOM 378 CA LEU A 28 -7.847 9.946 4.449 1.00 0.00 C ATOM 379 C LEU A 28 -6.536 10.023 5.224 1.00 0.00 C ATOM 380 O LEU A 28 -6.051 11.111 5.533 1.00 0.00 O ATOM 381 CB LEU A 28 -8.528 11.315 4.437 1.00 0.00 C ATOM 382 CG LEU A 28 -9.965 11.346 3.914 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.609 12.693 4.204 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.996 11.047 2.423 1.00 0.00 C ATOM 0 H LEU A 28 -8.896 8.129 4.436 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.624 9.650 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.524 11.709 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.927 11.992 3.830 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.537 10.575 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.631 12.697 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.620 12.867 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.038 13.482 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.026 11.073 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.409 11.795 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.575 10.058 2.241 1.00 0.00 H new ATOM 396 N GLU A 29 -5.967 8.862 5.533 1.00 0.00 N ATOM 397 CA GLU A 29 -4.710 8.800 6.270 1.00 0.00 C ATOM 398 C GLU A 29 -3.538 8.547 5.327 1.00 0.00 C ATOM 399 O GLU A 29 -3.720 8.071 4.207 1.00 0.00 O ATOM 400 CB GLU A 29 -4.771 7.701 7.333 1.00 0.00 C ATOM 401 CG GLU A 29 -3.506 7.590 8.166 1.00 0.00 C ATOM 402 CD GLU A 29 -3.239 8.834 8.992 1.00 0.00 C ATOM 403 OE1 GLU A 29 -4.205 9.398 9.545 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.062 9.242 9.084 1.00 0.00 O ATOM 0 H GLU A 29 -6.356 7.952 5.285 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.558 9.762 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.616 7.893 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.960 6.745 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.587 6.729 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.657 7.407 7.507 1.00 0.00 H new ATOM 411 N ARG A 30 -2.334 8.869 5.790 1.00 0.00 N ATOM 412 CA ARG A 30 -1.131 8.678 4.988 1.00 0.00 C ATOM 413 C ARG A 30 -0.371 7.433 5.436 1.00 0.00 C ATOM 414 O ARG A 30 0.336 7.453 6.443 1.00 0.00 O ATOM 415 CB ARG A 30 -0.225 9.906 5.090 1.00 0.00 C ATOM 416 CG ARG A 30 0.968 9.862 4.149 1.00 0.00 C ATOM 417 CD ARG A 30 2.104 9.034 4.728 1.00 0.00 C ATOM 418 NE ARG A 30 3.386 9.352 4.105 1.00 0.00 N ATOM 419 CZ ARG A 30 4.138 10.389 4.457 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.739 11.203 5.425 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.293 10.612 3.843 1.00 0.00 N ATOM 0 H ARG A 30 -2.166 9.263 6.716 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.434 8.543 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.812 10.799 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.134 9.998 6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.662 9.442 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.318 10.876 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.169 9.209 5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.887 7.975 4.591 1.00 0.00 H new ATOM 0 HE ARG A 30 3.723 8.744 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.853 11.033 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.318 11.999 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.604 9.987 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.869 11.409 4.114 1.00 0.00 H new ATOM 435 N VAL A 31 -0.523 6.350 4.680 1.00 0.00 N ATOM 436 CA VAL A 31 0.149 5.096 4.998 1.00 0.00 C ATOM 437 C VAL A 31 1.396 4.907 4.141 1.00 0.00 C ATOM 438 O VAL A 31 1.519 5.497 3.067 1.00 0.00 O ATOM 439 CB VAL A 31 -0.787 3.890 4.795 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.056 4.055 5.617 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.116 3.714 3.320 1.00 0.00 C ATOM 0 H VAL A 31 -1.105 6.316 3.843 1.00 0.00 H new ATOM 0 HA VAL A 31 0.438 5.150 6.048 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.274 2.992 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.705 3.193 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.798 4.128 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.575 4.962 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.778 2.857 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.609 4.612 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.196 3.547 2.760 1.00 0.00 H new ATOM 451 N VAL A 32 2.319 4.081 4.622 1.00 0.00 N ATOM 452 CA VAL A 32 3.557 3.813 3.899 1.00 0.00 C ATOM 453 C VAL A 32 3.939 2.340 3.992 1.00 0.00 C ATOM 454 O VAL A 32 4.410 1.874 5.031 1.00 0.00 O ATOM 455 CB VAL A 32 4.718 4.669 4.438 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.017 4.314 3.730 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.405 6.150 4.283 1.00 0.00 C ATOM 0 H VAL A 32 2.233 3.586 5.509 1.00 0.00 H new ATOM 0 HA VAL A 32 3.378 4.074 2.856 1.00 0.00 H new ATOM 0 HB VAL A 32 4.841 4.456 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.826 4.929 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.247 3.262 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.910 4.497 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.236 6.740 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.254 6.382 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.500 6.391 4.840 1.00 0.00 H new ATOM 467 N LEU A 33 3.736 1.612 2.900 1.00 0.00 N ATOM 468 CA LEU A 33 4.060 0.190 2.858 1.00 0.00 C ATOM 469 C LEU A 33 5.498 -0.027 2.397 1.00 0.00 C ATOM 470 O LEU A 33 5.935 0.546 1.398 1.00 0.00 O ATOM 471 CB LEU A 33 3.097 -0.545 1.924 1.00 0.00 C ATOM 472 CG LEU A 33 1.824 -1.094 2.570 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.224 -0.070 3.521 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.814 -1.491 1.504 1.00 0.00 C ATOM 0 H LEU A 33 3.349 1.982 2.032 1.00 0.00 H new ATOM 0 HA LEU A 33 3.956 -0.211 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.809 0.135 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.633 -1.374 1.462 1.00 0.00 H new ATOM 0 HG LEU A 33 2.085 -1.983 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.319 -0.478 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.945 0.165 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.978 0.838 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.085 -1.879 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.558 -0.619 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.245 -2.260 0.863 1.00 0.00 H new ATOM 486 N THR A 34 6.230 -0.860 3.129 1.00 0.00 N ATOM 487 CA THR A 34 7.618 -1.154 2.796 1.00 0.00 C ATOM 488 C THR A 34 7.762 -2.564 2.234 1.00 0.00 C ATOM 489 O THR A 34 7.445 -3.546 2.908 1.00 0.00 O ATOM 490 CB THR A 34 8.535 -1.007 4.025 1.00 0.00 C ATOM 491 OG1 THR A 34 8.261 0.228 4.695 1.00 0.00 O ATOM 492 CG2 THR A 34 9.999 -1.055 3.616 1.00 0.00 C ATOM 0 H THR A 34 5.884 -1.344 3.958 1.00 0.00 H new ATOM 0 HA THR A 34 7.921 -0.431 2.038 1.00 0.00 H new ATOM 0 HB THR A 34 8.336 -1.838 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.847 0.313 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.627 -0.949 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.211 -2.009 3.132 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.210 -0.242 2.922 1.00 0.00 H new ATOM 500 N CYS A 35 8.241 -2.658 0.999 1.00 0.00 N ATOM 501 CA CYS A 35 8.427 -3.950 0.347 1.00 0.00 C ATOM 502 C CYS A 35 9.749 -3.991 -0.411 1.00 0.00 C ATOM 503 O CYS A 35 9.903 -3.340 -1.445 1.00 0.00 O ATOM 504 CB CYS A 35 7.267 -4.233 -0.609 1.00 0.00 C ATOM 505 SG CYS A 35 6.933 -5.992 -0.863 1.00 0.00 S ATOM 0 H CYS A 35 8.508 -1.856 0.429 1.00 0.00 H new ATOM 0 HA CYS A 35 8.448 -4.720 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.367 -3.755 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.484 -3.772 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 35 7.730 -6.697 -0.117 1.00 0.00 H new ATOM 511 N GLU A 36 10.701 -4.758 0.110 1.00 0.00 N ATOM 512 CA GLU A 36 12.012 -4.881 -0.517 1.00 0.00 C ATOM 513 C GLU A 36 12.077 -6.122 -1.402 1.00 0.00 C ATOM 514 O GLU A 36 11.266 -7.039 -1.265 1.00 0.00 O ATOM 515 CB GLU A 36 13.108 -4.942 0.548 1.00 0.00 C ATOM 516 CG GLU A 36 14.513 -4.802 -0.015 1.00 0.00 C ATOM 517 CD GLU A 36 15.478 -4.177 0.974 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.174 -3.080 1.487 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.537 -4.785 1.233 1.00 0.00 O ATOM 0 H GLU A 36 10.589 -5.304 0.965 1.00 0.00 H new ATOM 0 HA GLU A 36 12.172 -4.002 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.938 -4.151 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.032 -5.890 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.883 -5.785 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.479 -4.193 -0.918 1.00 0.00 H new ATOM 526 N LEU A 37 13.047 -6.145 -2.309 1.00 0.00 N ATOM 527 CA LEU A 37 13.219 -7.273 -3.218 1.00 0.00 C ATOM 528 C LEU A 37 14.684 -7.692 -3.294 1.00 0.00 C ATOM 529 O LEU A 37 15.584 -6.885 -3.058 1.00 0.00 O ATOM 530 CB LEU A 37 12.707 -6.912 -4.613 1.00 0.00 C ATOM 531 CG LEU A 37 11.288 -6.347 -4.682 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.987 -5.829 -6.080 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.273 -7.405 -4.274 1.00 0.00 C ATOM 0 H LEU A 37 13.727 -5.395 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 37 12.640 -8.111 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.389 -6.183 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.752 -7.805 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 37 11.215 -5.513 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.973 -5.431 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.694 -5.040 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.078 -6.644 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.268 -6.986 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.347 -8.259 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.476 -7.729 -3.253 1.00 0.00 H new ATOM 545 N CYS A 38 14.915 -8.957 -3.626 1.00 0.00 N ATOM 546 CA CYS A 38 16.271 -9.484 -3.734 1.00 0.00 C ATOM 547 C CYS A 38 16.906 -9.080 -5.061 1.00 0.00 C ATOM 548 O CYS A 38 18.031 -9.476 -5.368 1.00 0.00 O ATOM 549 CB CYS A 38 16.260 -11.008 -3.603 1.00 0.00 C ATOM 550 SG CYS A 38 15.426 -11.860 -4.961 1.00 0.00 S ATOM 0 H CYS A 38 14.181 -9.637 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 38 16.865 -9.061 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.288 -11.364 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.773 -11.278 -2.666 1.00 0.00 H new ATOM 0 HG CYS A 38 15.471 -13.144 -4.761 1.00 0.00 H new ATOM 556 N ARG A 39 16.177 -8.293 -5.845 1.00 0.00 N ATOM 557 CA ARG A 39 16.668 -7.838 -7.140 1.00 0.00 C ATOM 558 C ARG A 39 16.240 -6.398 -7.409 1.00 0.00 C ATOM 559 O ARG A 39 15.107 -6.001 -7.138 1.00 0.00 O ATOM 560 CB ARG A 39 16.153 -8.751 -8.254 1.00 0.00 C ATOM 561 CG ARG A 39 17.060 -9.937 -8.538 1.00 0.00 C ATOM 562 CD ARG A 39 18.392 -9.492 -9.122 1.00 0.00 C ATOM 563 NE ARG A 39 19.221 -10.626 -9.519 1.00 0.00 N ATOM 564 CZ ARG A 39 20.538 -10.553 -9.680 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.171 -9.406 -9.477 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.224 -11.629 -10.043 1.00 0.00 N ATOM 0 H ARG A 39 15.244 -7.957 -5.606 1.00 0.00 H new ATOM 0 HA ARG A 39 17.757 -7.877 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.163 -9.118 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.037 -8.166 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.233 -10.493 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.566 -10.616 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.213 -8.853 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.928 -8.891 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 39 18.764 -11.523 -9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.647 -8.577 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.182 -9.353 -9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.740 -12.514 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.235 -11.572 -10.166 1.00 0.00 H new ATOM 580 N PRO A 40 17.167 -5.597 -7.954 1.00 0.00 N ATOM 581 CA PRO A 40 16.910 -4.189 -8.271 1.00 0.00 C ATOM 582 C PRO A 40 15.941 -4.026 -9.438 1.00 0.00 C ATOM 583 O PRO A 40 14.962 -3.286 -9.345 1.00 0.00 O ATOM 584 CB PRO A 40 18.293 -3.650 -8.644 1.00 0.00 C ATOM 585 CG PRO A 40 19.050 -4.844 -9.113 1.00 0.00 C ATOM 586 CD PRO A 40 18.539 -6.003 -8.303 1.00 0.00 C ATOM 0 HA PRO A 40 16.444 -3.662 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.225 -2.892 -9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.780 -3.183 -7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.892 -5.013 -10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.122 -4.709 -8.967 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.550 -6.930 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.147 -6.171 -7.414 1.00 0.00 H new ATOM 594 N TRP A 41 16.221 -4.721 -10.534 1.00 0.00 N ATOM 595 CA TRP A 41 15.374 -4.652 -11.719 1.00 0.00 C ATOM 596 C TRP A 41 14.198 -5.615 -11.604 1.00 0.00 C ATOM 597 O TRP A 41 13.712 -6.139 -12.606 1.00 0.00 O ATOM 598 CB TRP A 41 16.190 -4.972 -12.973 1.00 0.00 C ATOM 599 CG TRP A 41 17.290 -5.960 -12.731 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.616 -5.684 -12.555 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.159 -7.383 -12.639 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.317 -6.850 -12.360 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.446 -7.906 -12.406 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.080 -8.266 -12.729 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.680 -9.271 -12.263 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.314 -9.621 -12.587 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.605 -10.113 -12.356 1.00 0.00 C ATOM 0 H TRP A 41 17.027 -5.339 -10.627 1.00 0.00 H new ATOM 0 HA TRP A 41 14.983 -3.638 -11.797 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.523 -5.363 -13.741 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.620 -4.049 -13.363 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.050 -4.695 -12.567 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.323 -6.918 -12.206 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.081 -7.896 -12.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.675 -9.652 -12.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.487 -10.312 -12.655 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.755 -11.177 -12.249 1.00 0.00 H new ATOM 618 N ALA A 42 13.744 -5.844 -10.376 1.00 0.00 N ATOM 619 CA ALA A 42 12.623 -6.742 -10.130 1.00 0.00 C ATOM 620 C ALA A 42 11.301 -5.982 -10.123 1.00 0.00 C ATOM 621 O ALA A 42 11.058 -5.152 -9.248 1.00 0.00 O ATOM 622 CB ALA A 42 12.817 -7.481 -8.814 1.00 0.00 C ATOM 0 H ALA A 42 14.136 -5.419 -9.536 1.00 0.00 H new ATOM 0 HA ALA A 42 12.589 -7.470 -10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.972 -8.148 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.737 -8.064 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.881 -6.761 -7.998 1.00 0.00 H new ATOM 628 N GLU A 43 10.452 -6.270 -11.104 1.00 0.00 N ATOM 629 CA GLU A 43 9.156 -5.611 -11.211 1.00 0.00 C ATOM 630 C GLU A 43 8.140 -6.253 -10.270 1.00 0.00 C ATOM 631 O GLU A 43 8.084 -7.476 -10.141 1.00 0.00 O ATOM 632 CB GLU A 43 8.644 -5.673 -12.651 1.00 0.00 C ATOM 633 CG GLU A 43 8.203 -7.062 -13.081 1.00 0.00 C ATOM 634 CD GLU A 43 8.179 -7.226 -14.588 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.263 -7.407 -15.182 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.077 -7.173 -15.174 1.00 0.00 O ATOM 0 H GLU A 43 10.638 -6.955 -11.836 1.00 0.00 H new ATOM 0 HA GLU A 43 9.283 -4.567 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.806 -4.985 -12.759 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.430 -5.326 -13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.876 -7.803 -12.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.209 -7.263 -12.681 1.00 0.00 H new ATOM 643 N VAL A 44 7.340 -5.419 -9.614 1.00 0.00 N ATOM 644 CA VAL A 44 6.326 -5.904 -8.685 1.00 0.00 C ATOM 645 C VAL A 44 4.939 -5.408 -9.078 1.00 0.00 C ATOM 646 O VAL A 44 4.802 -4.509 -9.908 1.00 0.00 O ATOM 647 CB VAL A 44 6.628 -5.461 -7.242 1.00 0.00 C ATOM 648 CG1 VAL A 44 8.070 -5.779 -6.876 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.341 -3.976 -7.070 1.00 0.00 C ATOM 0 H VAL A 44 7.374 -4.404 -9.709 1.00 0.00 H new ATOM 0 HA VAL A 44 6.347 -6.993 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 44 5.976 -6.015 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.265 -5.459 -5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.238 -6.853 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.742 -5.254 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.560 -3.680 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.966 -3.403 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.291 -3.781 -7.288 1.00 0.00 H new ATOM 659 N ARG A 45 3.912 -5.999 -8.475 1.00 0.00 N ATOM 660 CA ARG A 45 2.535 -5.618 -8.763 1.00 0.00 C ATOM 661 C ARG A 45 1.643 -5.844 -7.545 1.00 0.00 C ATOM 662 O ARG A 45 1.609 -6.939 -6.984 1.00 0.00 O ATOM 663 CB ARG A 45 2.001 -6.413 -9.955 1.00 0.00 C ATOM 664 CG ARG A 45 0.584 -6.034 -10.355 1.00 0.00 C ATOM 665 CD ARG A 45 0.167 -6.722 -11.646 1.00 0.00 C ATOM 666 NE ARG A 45 1.105 -6.460 -12.734 1.00 0.00 N ATOM 667 CZ ARG A 45 1.221 -5.282 -13.336 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.462 -4.262 -12.959 1.00 0.00 N ATOM 669 NH2 ARG A 45 2.098 -5.121 -14.319 1.00 0.00 N ATOM 0 H ARG A 45 4.008 -6.743 -7.784 1.00 0.00 H new ATOM 0 HA ARG A 45 2.522 -4.556 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.663 -6.262 -10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.029 -7.476 -9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.106 -6.307 -9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.516 -4.953 -10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.098 -7.797 -11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.827 -6.380 -11.934 1.00 0.00 H new ATOM 0 HE ARG A 45 1.704 -7.223 -13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.214 -4.381 -12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.554 -3.359 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.684 -5.903 -14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.186 -4.216 -14.781 1.00 0.00 H new ATOM 683 N TRP A 46 0.923 -4.803 -7.144 1.00 0.00 N ATOM 684 CA TRP A 46 0.031 -4.889 -5.993 1.00 0.00 C ATOM 685 C TRP A 46 -1.381 -5.264 -6.426 1.00 0.00 C ATOM 686 O TRP A 46 -1.865 -4.811 -7.464 1.00 0.00 O ATOM 687 CB TRP A 46 0.010 -3.559 -5.238 1.00 0.00 C ATOM 688 CG TRP A 46 1.373 -3.085 -4.832 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.313 -2.507 -5.636 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.948 -3.150 -3.522 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.438 -2.209 -4.905 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.239 -2.593 -3.606 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.497 -3.623 -2.287 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.081 -2.498 -2.501 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.334 -3.528 -1.192 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.614 -2.969 -1.304 1.00 0.00 C ATOM 0 H TRP A 46 0.939 -3.890 -7.598 1.00 0.00 H new ATOM 0 HA TRP A 46 0.407 -5.669 -5.331 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.459 -2.801 -5.865 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.610 -3.664 -4.348 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.191 -2.313 -6.691 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.284 -1.772 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.512 -4.055 -2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.068 -2.068 -2.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.996 -3.891 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.244 -2.909 -0.429 1.00 0.00 H new ATOM 707 N THR A 47 -2.041 -6.095 -5.624 1.00 0.00 N ATOM 708 CA THR A 47 -3.398 -6.531 -5.925 1.00 0.00 C ATOM 709 C THR A 47 -4.278 -6.489 -4.681 1.00 0.00 C ATOM 710 O THR A 47 -3.904 -6.999 -3.625 1.00 0.00 O ATOM 711 CB THR A 47 -3.414 -7.959 -6.502 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.806 -8.868 -5.578 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.678 -8.014 -7.833 1.00 0.00 C ATOM 0 H THR A 47 -1.657 -6.479 -4.761 1.00 0.00 H new ATOM 0 HA THR A 47 -3.793 -5.841 -6.670 1.00 0.00 H new ATOM 0 HB THR A 47 -4.452 -8.248 -6.666 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.192 -8.378 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.703 -9.032 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.161 -7.343 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.642 -7.706 -7.689 1.00 0.00 H new ATOM 721 N LYS A 48 -5.450 -5.877 -4.812 1.00 0.00 N ATOM 722 CA LYS A 48 -6.386 -5.769 -3.699 1.00 0.00 C ATOM 723 C LYS A 48 -7.570 -6.712 -3.890 1.00 0.00 C ATOM 724 O LYS A 48 -8.498 -6.414 -4.641 1.00 0.00 O ATOM 725 CB LYS A 48 -6.885 -4.329 -3.563 1.00 0.00 C ATOM 726 CG LYS A 48 -7.457 -4.010 -2.193 1.00 0.00 C ATOM 727 CD LYS A 48 -8.066 -2.618 -2.153 1.00 0.00 C ATOM 728 CE LYS A 48 -8.689 -2.321 -0.797 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.026 -2.960 -0.649 1.00 0.00 N ATOM 0 H LYS A 48 -5.775 -5.448 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.861 -6.053 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.061 -3.647 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.649 -4.145 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.216 -4.748 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.670 -4.086 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.297 -1.877 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.825 -2.529 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.027 -2.677 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.786 -1.243 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.721 -2.246 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.318 -3.369 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.974 -3.712 0.067 1.00 0.00 H new ATOM 743 N ASP A 49 -7.530 -7.850 -3.205 1.00 0.00 N ATOM 744 CA ASP A 49 -8.601 -8.835 -3.297 1.00 0.00 C ATOM 745 C ASP A 49 -8.543 -9.578 -4.628 1.00 0.00 C ATOM 746 O ASP A 49 -9.552 -10.092 -5.109 1.00 0.00 O ATOM 747 CB ASP A 49 -9.963 -8.157 -3.137 1.00 0.00 C ATOM 748 CG ASP A 49 -11.070 -9.146 -2.831 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.824 -10.088 -2.050 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.183 -8.978 -3.374 1.00 0.00 O ATOM 0 H ASP A 49 -6.768 -8.113 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.466 -9.557 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.907 -7.420 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.206 -7.616 -4.052 1.00 0.00 H new ATOM 755 N GLY A 50 -7.353 -9.630 -5.219 1.00 0.00 N ATOM 756 CA GLY A 50 -7.185 -10.312 -6.490 1.00 0.00 C ATOM 757 C GLY A 50 -7.017 -9.347 -7.647 1.00 0.00 C ATOM 758 O GLY A 50 -6.294 -9.633 -8.600 1.00 0.00 O ATOM 0 H GLY A 50 -6.503 -9.212 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.314 -10.965 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.050 -10.949 -6.674 1.00 0.00 H new ATOM 762 N GLU A 51 -7.688 -8.202 -7.563 1.00 0.00 N ATOM 763 CA GLU A 51 -7.611 -7.194 -8.614 1.00 0.00 C ATOM 764 C GLU A 51 -6.345 -6.354 -8.470 1.00 0.00 C ATOM 765 O GLU A 51 -5.876 -6.106 -7.359 1.00 0.00 O ATOM 766 CB GLU A 51 -8.844 -6.289 -8.575 1.00 0.00 C ATOM 767 CG GLU A 51 -8.713 -5.123 -7.611 1.00 0.00 C ATOM 768 CD GLU A 51 -9.846 -4.124 -7.745 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.009 -4.511 -7.510 1.00 0.00 O ATOM 770 OE2 GLU A 51 -9.568 -2.955 -8.086 1.00 0.00 O ATOM 0 H GLU A 51 -8.290 -7.950 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.578 -7.709 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.032 -5.902 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.713 -6.885 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.687 -5.502 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.764 -4.616 -7.787 1.00 0.00 H new ATOM 777 N GLU A 52 -5.797 -5.920 -9.601 1.00 0.00 N ATOM 778 CA GLU A 52 -4.586 -5.109 -9.600 1.00 0.00 C ATOM 779 C GLU A 52 -4.915 -3.639 -9.355 1.00 0.00 C ATOM 780 O GLU A 52 -5.723 -3.045 -10.069 1.00 0.00 O ATOM 781 CB GLU A 52 -3.842 -5.262 -10.929 1.00 0.00 C ATOM 782 CG GLU A 52 -2.687 -4.289 -11.095 1.00 0.00 C ATOM 783 CD GLU A 52 -2.410 -3.955 -12.548 1.00 0.00 C ATOM 784 OE1 GLU A 52 -1.949 -4.851 -13.286 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.656 -2.798 -12.947 1.00 0.00 O ATOM 0 H GLU A 52 -6.173 -6.117 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.946 -5.460 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.462 -6.281 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.546 -5.120 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.909 -3.371 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.790 -4.716 -10.647 1.00 0.00 H new ATOM 792 N VAL A 53 -4.283 -3.058 -8.340 1.00 0.00 N ATOM 793 CA VAL A 53 -4.507 -1.658 -8.001 1.00 0.00 C ATOM 794 C VAL A 53 -4.031 -0.738 -9.119 1.00 0.00 C ATOM 795 O VAL A 53 -2.947 -0.923 -9.671 1.00 0.00 O ATOM 796 CB VAL A 53 -3.786 -1.275 -6.694 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.235 -2.175 -5.553 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.277 -1.346 -6.879 1.00 0.00 C ATOM 0 H VAL A 53 -3.612 -3.535 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.581 -1.534 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.050 -0.249 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.715 -1.890 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.310 -2.069 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.002 -3.212 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.783 -1.073 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.992 -2.361 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.974 -0.656 -7.666 1.00 0.00 H new ATOM 808 N VAL A 54 -4.851 0.255 -9.449 1.00 0.00 N ATOM 809 CA VAL A 54 -4.514 1.206 -10.502 1.00 0.00 C ATOM 810 C VAL A 54 -4.216 2.585 -9.922 1.00 0.00 C ATOM 811 O VAL A 54 -4.875 3.028 -8.982 1.00 0.00 O ATOM 812 CB VAL A 54 -5.651 1.329 -11.532 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.939 1.775 -10.856 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.262 2.293 -12.643 1.00 0.00 C ATOM 0 H VAL A 54 -5.753 0.422 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.623 0.824 -11.000 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.822 0.348 -11.976 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.731 1.856 -11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.225 1.044 -10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.785 2.745 -10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.078 2.368 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.062 3.277 -12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.367 1.926 -13.146 1.00 0.00 H new ATOM 824 N GLU A 55 -3.220 3.257 -10.490 1.00 0.00 N ATOM 825 CA GLU A 55 -2.835 4.586 -10.029 1.00 0.00 C ATOM 826 C GLU A 55 -4.059 5.486 -9.881 1.00 0.00 C ATOM 827 O GLU A 55 -5.041 5.340 -10.609 1.00 0.00 O ATOM 828 CB GLU A 55 -1.838 5.219 -11.001 1.00 0.00 C ATOM 829 CG GLU A 55 -0.393 4.840 -10.722 1.00 0.00 C ATOM 830 CD GLU A 55 0.461 4.834 -11.975 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.427 5.836 -12.720 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.161 3.828 -12.212 1.00 0.00 O ATOM 0 H GLU A 55 -2.665 2.904 -11.270 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.362 4.481 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.094 4.919 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.936 6.304 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.030 5.541 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.363 3.853 -10.261 1.00 0.00 H new ATOM 839 N SER A 56 -3.992 6.415 -8.933 1.00 0.00 N ATOM 840 CA SER A 56 -5.095 7.336 -8.686 1.00 0.00 C ATOM 841 C SER A 56 -4.684 8.424 -7.698 1.00 0.00 C ATOM 842 O SER A 56 -3.654 8.335 -7.031 1.00 0.00 O ATOM 843 CB SER A 56 -6.310 6.577 -8.149 1.00 0.00 C ATOM 844 OG SER A 56 -6.372 6.648 -6.735 1.00 0.00 O ATOM 0 H SER A 56 -3.185 6.550 -8.323 1.00 0.00 H new ATOM 0 HA SER A 56 -5.359 7.809 -9.632 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.221 6.994 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.259 5.534 -8.462 1.00 0.00 H new ATOM 0 HG SER A 56 -7.158 6.157 -6.417 1.00 0.00 H new ATOM 850 N PRO A 57 -5.509 9.477 -7.603 1.00 0.00 N ATOM 851 CA PRO A 57 -5.253 10.603 -6.699 1.00 0.00 C ATOM 852 C PRO A 57 -5.416 10.219 -5.233 1.00 0.00 C ATOM 853 O PRO A 57 -5.313 11.064 -4.345 1.00 0.00 O ATOM 854 CB PRO A 57 -6.314 11.630 -7.104 1.00 0.00 C ATOM 855 CG PRO A 57 -7.416 10.823 -7.698 1.00 0.00 C ATOM 856 CD PRO A 57 -6.754 9.650 -8.368 1.00 0.00 C ATOM 0 HA PRO A 57 -4.230 10.969 -6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.661 12.201 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.917 12.347 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.115 10.491 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.988 11.411 -8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.379 8.758 -8.325 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.554 9.849 -9.421 1.00 0.00 H new ATOM 864 N ALA A 58 -5.669 8.937 -4.987 1.00 0.00 N ATOM 865 CA ALA A 58 -5.843 8.441 -3.627 1.00 0.00 C ATOM 866 C ALA A 58 -4.865 7.311 -3.326 1.00 0.00 C ATOM 867 O ALA A 58 -4.805 6.810 -2.202 1.00 0.00 O ATOM 868 CB ALA A 58 -7.275 7.972 -3.416 1.00 0.00 C ATOM 0 H ALA A 58 -5.758 8.224 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.635 9.260 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.391 7.604 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.959 8.805 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.503 7.171 -4.119 1.00 0.00 H new ATOM 874 N LEU A 59 -4.099 6.912 -4.336 1.00 0.00 N ATOM 875 CA LEU A 59 -3.123 5.840 -4.180 1.00 0.00 C ATOM 876 C LEU A 59 -1.866 6.124 -4.996 1.00 0.00 C ATOM 877 O LEU A 59 -1.864 5.987 -6.220 1.00 0.00 O ATOM 878 CB LEU A 59 -3.731 4.503 -4.608 1.00 0.00 C ATOM 879 CG LEU A 59 -2.792 3.297 -4.574 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.560 2.033 -4.218 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.084 3.135 -5.910 1.00 0.00 C ATOM 0 H LEU A 59 -4.135 7.315 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.846 5.786 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.584 4.292 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.116 4.610 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.039 3.468 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.876 1.185 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.020 2.151 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.336 1.856 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.420 2.272 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.823 2.986 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.501 4.031 -6.124 1.00 0.00 H new ATOM 893 N LEU A 60 -0.799 6.519 -4.311 1.00 0.00 N ATOM 894 CA LEU A 60 0.466 6.820 -4.972 1.00 0.00 C ATOM 895 C LEU A 60 1.436 5.649 -4.853 1.00 0.00 C ATOM 896 O LEU A 60 1.712 5.168 -3.753 1.00 0.00 O ATOM 897 CB LEU A 60 1.092 8.079 -4.369 1.00 0.00 C ATOM 898 CG LEU A 60 0.210 9.328 -4.357 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.862 10.434 -3.542 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.066 9.800 -5.777 1.00 0.00 C ATOM 0 H LEU A 60 -0.784 6.638 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 60 0.263 6.993 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.388 7.858 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.003 8.308 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.741 9.073 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.220 11.315 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.006 10.094 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.828 10.687 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.695 10.690 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.876 10.037 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.577 9.012 -6.330 1.00 0.00 H new ATOM 912 N LEU A 61 1.951 5.196 -5.990 1.00 0.00 N ATOM 913 CA LEU A 61 2.892 4.082 -6.014 1.00 0.00 C ATOM 914 C LEU A 61 4.332 4.586 -6.025 1.00 0.00 C ATOM 915 O LEU A 61 4.780 5.188 -7.000 1.00 0.00 O ATOM 916 CB LEU A 61 2.639 3.200 -7.238 1.00 0.00 C ATOM 917 CG LEU A 61 1.241 2.590 -7.348 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.147 1.687 -8.568 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.894 1.818 -6.083 1.00 0.00 C ATOM 0 H LEU A 61 1.733 5.583 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 61 2.740 3.491 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.826 3.793 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.368 2.390 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 61 0.521 3.400 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.145 1.262 -8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.351 2.268 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.878 0.883 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.104 1.391 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.618 1.017 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.919 2.492 -5.227 1.00 0.00 H new ATOM 931 N GLN A 62 5.051 4.332 -4.937 1.00 0.00 N ATOM 932 CA GLN A 62 6.440 4.759 -4.823 1.00 0.00 C ATOM 933 C GLN A 62 7.391 3.595 -5.082 1.00 0.00 C ATOM 934 O GLN A 62 7.055 2.437 -4.830 1.00 0.00 O ATOM 935 CB GLN A 62 6.703 5.348 -3.436 1.00 0.00 C ATOM 936 CG GLN A 62 5.908 6.611 -3.150 1.00 0.00 C ATOM 937 CD GLN A 62 5.991 7.621 -4.278 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.994 7.693 -4.989 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.935 8.407 -4.448 1.00 0.00 N ATOM 0 H GLN A 62 4.695 3.833 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 62 6.620 5.526 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.463 4.599 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.766 5.568 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.864 6.348 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.276 7.067 -2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.125 8.313 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.933 9.105 -5.191 1.00 0.00 H new ATOM 948 N LYS A 63 8.578 3.909 -5.588 1.00 0.00 N ATOM 949 CA LYS A 63 9.579 2.890 -5.882 1.00 0.00 C ATOM 950 C LYS A 63 10.974 3.367 -5.490 1.00 0.00 C ATOM 951 O LYS A 63 11.461 4.374 -6.003 1.00 0.00 O ATOM 952 CB LYS A 63 9.550 2.531 -7.369 1.00 0.00 C ATOM 953 CG LYS A 63 8.171 2.147 -7.876 1.00 0.00 C ATOM 954 CD LYS A 63 7.406 3.357 -8.384 1.00 0.00 C ATOM 955 CE LYS A 63 6.284 2.952 -9.327 1.00 0.00 C ATOM 956 NZ LYS A 63 5.664 4.132 -9.991 1.00 0.00 N ATOM 0 H LYS A 63 8.871 4.862 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 63 9.340 2.003 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.917 3.380 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.237 1.704 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.268 1.414 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.608 1.670 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.992 3.908 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.090 4.031 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.674 2.272 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.522 2.406 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.938 3.811 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.225 4.743 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.395 4.667 -10.501 1.00 0.00 H new ATOM 970 N GLU A 64 11.610 2.638 -4.579 1.00 0.00 N ATOM 971 CA GLU A 64 12.949 2.988 -4.120 1.00 0.00 C ATOM 972 C GLU A 64 14.012 2.236 -4.917 1.00 0.00 C ATOM 973 O GLU A 64 13.693 1.446 -5.806 1.00 0.00 O ATOM 974 CB GLU A 64 13.099 2.678 -2.630 1.00 0.00 C ATOM 975 CG GLU A 64 14.012 3.645 -1.895 1.00 0.00 C ATOM 976 CD GLU A 64 13.830 5.080 -2.351 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.898 5.746 -1.852 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.617 5.537 -3.205 1.00 0.00 O ATOM 0 H GLU A 64 11.220 1.802 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 64 13.091 4.057 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.114 2.696 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.488 1.666 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.817 3.580 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.049 3.348 -2.049 1.00 0.00 H new ATOM 985 N ASP A 65 15.275 2.487 -4.591 1.00 0.00 N ATOM 986 CA ASP A 65 16.385 1.834 -5.275 1.00 0.00 C ATOM 987 C ASP A 65 16.057 0.374 -5.573 1.00 0.00 C ATOM 988 O ASP A 65 15.936 -0.023 -6.732 1.00 0.00 O ATOM 989 CB ASP A 65 17.656 1.921 -4.428 1.00 0.00 C ATOM 990 CG ASP A 65 18.459 3.174 -4.718 1.00 0.00 C ATOM 991 OD1 ASP A 65 19.053 3.257 -5.813 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.496 4.070 -3.849 1.00 0.00 O ATOM 0 H ASP A 65 15.556 3.138 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 65 16.551 2.351 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.388 1.901 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.275 1.044 -4.616 1.00 0.00 H new ATOM 997 N THR A 66 15.914 -0.422 -4.518 1.00 0.00 N ATOM 998 CA THR A 66 15.602 -1.838 -4.666 1.00 0.00 C ATOM 999 C THR A 66 14.394 -2.226 -3.821 1.00 0.00 C ATOM 1000 O THR A 66 14.027 -3.399 -3.745 1.00 0.00 O ATOM 1001 CB THR A 66 16.799 -2.722 -4.266 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.527 -2.106 -3.198 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.723 -2.949 -5.453 1.00 0.00 C ATOM 0 H THR A 66 16.009 -0.110 -3.552 1.00 0.00 H new ATOM 0 HA THR A 66 15.374 -2.003 -5.719 1.00 0.00 H new ATOM 0 HB THR A 66 16.416 -3.687 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.285 -2.675 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.561 -3.576 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.173 -3.444 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.098 -1.990 -5.810 1.00 0.00 H new ATOM 1011 N VAL A 67 13.778 -1.234 -3.186 1.00 0.00 N ATOM 1012 CA VAL A 67 12.609 -1.472 -2.348 1.00 0.00 C ATOM 1013 C VAL A 67 11.435 -0.601 -2.781 1.00 0.00 C ATOM 1014 O VAL A 67 11.545 0.625 -2.834 1.00 0.00 O ATOM 1015 CB VAL A 67 12.918 -1.197 -0.864 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.656 0.123 -0.707 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.637 -1.201 -0.044 1.00 0.00 C ATOM 0 H VAL A 67 14.069 -0.258 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 67 12.342 -2.522 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 67 13.564 -1.993 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.865 0.300 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.594 0.084 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.039 0.933 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.874 -1.005 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.965 -0.427 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.153 -2.174 -0.130 1.00 0.00 H new ATOM 1027 N ARG A 68 10.312 -1.241 -3.089 1.00 0.00 N ATOM 1028 CA ARG A 68 9.118 -0.524 -3.519 1.00 0.00 C ATOM 1029 C ARG A 68 8.282 -0.092 -2.317 1.00 0.00 C ATOM 1030 O ARG A 68 8.264 -0.765 -1.287 1.00 0.00 O ATOM 1031 CB ARG A 68 8.278 -1.401 -4.449 1.00 0.00 C ATOM 1032 CG ARG A 68 9.039 -1.903 -5.665 1.00 0.00 C ATOM 1033 CD ARG A 68 9.327 -0.777 -6.645 1.00 0.00 C ATOM 1034 NE ARG A 68 9.997 -1.258 -7.851 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.306 -1.467 -7.930 1.00 0.00 C ATOM 1036 NH1 ARG A 68 12.082 -1.239 -6.880 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.842 -1.906 -9.062 1.00 0.00 N ATOM 0 H ARG A 68 10.204 -2.254 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 68 9.435 0.368 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.903 -2.256 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.409 -0.834 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.977 -2.358 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.460 -2.681 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.392 -0.288 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.949 -0.025 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 68 9.428 -1.443 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.674 -0.902 -6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.087 -1.401 -6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.248 -2.083 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.848 -2.066 -9.122 1.00 0.00 H new ATOM 1051 N ARG A 69 7.591 1.035 -2.458 1.00 0.00 N ATOM 1052 CA ARG A 69 6.755 1.557 -1.384 1.00 0.00 C ATOM 1053 C ARG A 69 5.430 2.080 -1.933 1.00 0.00 C ATOM 1054 O ARG A 69 5.382 2.670 -3.013 1.00 0.00 O ATOM 1055 CB ARG A 69 7.486 2.674 -0.637 1.00 0.00 C ATOM 1056 CG ARG A 69 8.578 2.171 0.293 1.00 0.00 C ATOM 1057 CD ARG A 69 8.854 3.159 1.415 1.00 0.00 C ATOM 1058 NE ARG A 69 9.557 4.347 0.938 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.288 5.132 1.721 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.412 4.856 3.012 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.898 6.195 1.212 1.00 0.00 N ATOM 0 H ARG A 69 7.594 1.603 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 69 6.546 0.742 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.925 3.358 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.762 3.246 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.283 1.211 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.492 2.001 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.912 3.456 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.448 2.672 2.188 1.00 0.00 H new ATOM 0 HE ARG A 69 9.482 4.587 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.945 4.039 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.974 5.461 3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.805 6.409 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.459 6.798 1.814 1.00 0.00 H new ATOM 1075 N LEU A 70 4.357 1.860 -1.181 1.00 0.00 N ATOM 1076 CA LEU A 70 3.031 2.309 -1.591 1.00 0.00 C ATOM 1077 C LEU A 70 2.490 3.362 -0.629 1.00 0.00 C ATOM 1078 O LEU A 70 2.107 3.049 0.498 1.00 0.00 O ATOM 1079 CB LEU A 70 2.068 1.122 -1.660 1.00 0.00 C ATOM 1080 CG LEU A 70 0.578 1.463 -1.612 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.241 2.529 -2.642 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.262 0.215 -1.839 1.00 0.00 C ATOM 0 H LEU A 70 4.379 1.374 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 70 3.117 2.758 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.265 0.573 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.293 0.449 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 70 0.347 1.857 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.823 2.759 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.817 3.431 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.488 2.163 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.320 0.476 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.027 -0.209 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.042 -0.518 -1.063 1.00 0.00 H new ATOM 1094 N VAL A 71 2.461 4.611 -1.083 1.00 0.00 N ATOM 1095 CA VAL A 71 1.964 5.710 -0.264 1.00 0.00 C ATOM 1096 C VAL A 71 0.571 6.141 -0.708 1.00 0.00 C ATOM 1097 O VAL A 71 0.293 6.246 -1.904 1.00 0.00 O ATOM 1098 CB VAL A 71 2.908 6.926 -0.323 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.327 8.092 0.461 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.287 6.555 0.201 1.00 0.00 C ATOM 0 H VAL A 71 2.776 4.887 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 71 1.918 5.344 0.762 1.00 0.00 H new ATOM 0 HB VAL A 71 3.010 7.234 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.008 8.942 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.363 8.372 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.193 7.799 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.941 7.426 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.205 6.220 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.704 5.753 -0.408 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.303 6.389 0.261 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.669 6.810 -0.030 1.00 0.00 C ATOM 1112 C LEU A 72 -1.985 8.140 0.646 1.00 0.00 C ATOM 1113 O LEU A 72 -2.190 8.216 1.857 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.662 5.742 0.433 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.703 4.458 -0.398 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.510 3.573 -0.072 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.006 3.710 -0.159 1.00 0.00 C ATOM 0 H LEU A 72 -0.090 6.306 1.255 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.761 6.941 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.425 5.477 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.660 6.180 0.438 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.651 4.728 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.556 2.664 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.588 4.109 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.530 3.310 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.018 2.799 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.089 3.451 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.846 4.343 -0.444 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.027 9.215 -0.155 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.321 10.562 0.343 1.00 0.00 C ATOM 1131 C PRO A 73 -3.772 10.713 0.786 1.00 0.00 C ATOM 1132 O PRO A 73 -4.126 11.675 1.468 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.035 11.458 -0.865 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.225 10.571 -2.047 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.793 9.198 -1.609 1.00 0.00 C ATOM 0 HA PRO A 73 -1.728 10.809 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.714 12.310 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.022 11.859 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.266 10.568 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.630 10.916 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.374 8.418 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.745 9.012 -1.845 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.608 9.757 0.395 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.020 9.783 0.755 1.00 0.00 C ATOM 1145 C ALA A 74 -6.647 8.400 0.617 1.00 0.00 C ATOM 1146 O ALA A 74 -6.898 7.929 -0.492 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.766 10.791 -0.107 1.00 0.00 C ATOM 0 H ALA A 74 -4.332 8.955 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.098 10.086 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.819 10.800 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.342 11.784 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.672 10.513 -1.157 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.897 7.753 1.751 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.495 6.423 1.757 1.00 0.00 C ATOM 1155 C VAL A 75 -8.980 6.490 2.099 1.00 0.00 C ATOM 1156 O VAL A 75 -9.520 7.566 2.352 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.789 5.494 2.762 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.299 5.795 2.811 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.415 5.630 4.142 1.00 0.00 C ATOM 0 H VAL A 75 -6.695 8.128 2.678 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.374 6.017 0.753 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.916 4.463 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.817 5.129 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.864 5.643 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.147 6.830 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.904 4.967 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.320 6.660 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.470 5.360 4.091 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.632 5.332 2.105 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.055 5.259 2.416 1.00 0.00 C ATOM 1171 C GLN A 76 -11.399 3.933 3.086 1.00 0.00 C ATOM 1172 O GLN A 76 -10.689 2.940 2.921 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.886 5.432 1.144 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.501 6.655 0.327 1.00 0.00 C ATOM 1175 CD GLN A 76 -11.912 7.954 0.992 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.341 7.966 2.146 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.782 9.058 0.265 1.00 0.00 N ATOM 0 H GLN A 76 -9.198 4.432 1.898 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.291 6.067 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.776 4.542 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.939 5.503 1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.422 6.657 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.967 6.592 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.422 9.002 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.042 9.962 0.659 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.490 3.924 3.843 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.929 2.719 4.539 1.00 0.00 C ATOM 1188 C LEU A 77 -13.068 1.550 3.569 1.00 0.00 C ATOM 1189 O LEU A 77 -12.879 0.394 3.944 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.261 2.971 5.247 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.293 4.154 6.216 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.727 4.509 6.577 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.487 3.839 7.468 1.00 0.00 C ATOM 0 H LEU A 77 -13.087 4.737 3.991 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.173 2.463 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.029 3.127 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.534 2.070 5.796 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.841 5.015 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.730 5.353 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.274 4.777 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.206 3.652 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.521 4.692 8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.910 2.965 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.452 3.635 7.193 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.399 1.861 2.319 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.562 0.836 1.295 1.00 0.00 C ATOM 1207 C GLU A 78 -12.208 0.381 0.759 1.00 0.00 C ATOM 1208 O GLU A 78 -12.068 -0.736 0.260 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.426 1.363 0.147 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.752 1.948 0.603 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.845 1.794 -0.437 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.814 2.531 -1.445 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.732 0.937 -0.243 1.00 0.00 O ATOM 0 H GLU A 78 -13.559 2.814 1.992 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.059 -0.020 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.869 2.127 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.619 0.551 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.062 1.459 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.619 3.005 0.831 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.213 1.255 0.866 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.868 0.944 0.393 1.00 0.00 C ATOM 1222 C ASP A 79 -9.136 0.048 1.387 1.00 0.00 C ATOM 1223 O ASP A 79 -7.952 -0.244 1.220 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.074 2.232 0.167 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.694 3.115 -0.898 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.162 2.572 -1.920 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.710 4.350 -0.709 1.00 0.00 O ATOM 0 H ASP A 79 -11.312 2.184 1.276 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.956 0.410 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.012 2.786 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.054 1.980 -0.123 1.00 0.00 H new ATOM 1232 N SER A 80 -9.849 -0.385 2.422 1.00 0.00 N ATOM 1233 CA SER A 80 -9.266 -1.244 3.446 1.00 0.00 C ATOM 1234 C SER A 80 -9.562 -2.713 3.156 1.00 0.00 C ATOM 1235 O SER A 80 -10.546 -3.040 2.494 1.00 0.00 O ATOM 1236 CB SER A 80 -9.805 -0.866 4.827 1.00 0.00 C ATOM 1237 OG SER A 80 -9.760 -1.972 5.712 1.00 0.00 O ATOM 0 H SER A 80 -10.831 -0.155 2.573 1.00 0.00 H new ATOM 0 HA SER A 80 -8.186 -1.100 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.219 -0.044 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.831 -0.511 4.736 1.00 0.00 H new ATOM 0 HG SER A 80 -10.378 -1.820 6.458 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.702 -3.594 3.658 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.888 -5.017 3.443 1.00 0.00 C ATOM 1245 C GLY A 81 -7.587 -5.790 3.523 1.00 0.00 C ATOM 1246 O GLY A 81 -6.935 -5.813 4.567 1.00 0.00 O ATOM 0 H GLY A 81 -7.880 -3.348 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.584 -5.406 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.343 -5.177 2.465 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.209 -6.427 2.419 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.978 -7.207 2.371 1.00 0.00 C ATOM 1252 C GLU A 82 -5.132 -6.815 1.163 1.00 0.00 C ATOM 1253 O GLU A 82 -5.455 -7.162 0.027 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.298 -8.703 2.320 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.234 -9.575 2.966 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.756 -10.947 3.345 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.317 -11.084 4.451 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.602 -11.884 2.533 1.00 0.00 O ATOM 0 H GLU A 82 -7.737 -6.418 1.547 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.408 -6.995 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.252 -8.879 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.421 -9.005 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.395 -9.687 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.853 -9.076 3.857 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.049 -6.089 1.418 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.158 -5.647 0.352 1.00 0.00 C ATOM 1267 C TYR A 83 -2.091 -6.698 0.062 1.00 0.00 C ATOM 1268 O TYR A 83 -1.160 -6.888 0.847 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.494 -4.322 0.730 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.309 -3.106 0.350 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.336 -2.650 1.169 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.054 -2.415 -0.827 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.084 -1.540 0.825 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.796 -1.303 -1.178 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.809 -0.870 -0.349 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.551 0.236 -0.695 1.00 0.00 O ATOM 0 H TYR A 83 -3.767 -5.794 2.353 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.755 -5.503 -0.549 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.316 -4.308 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.520 -4.262 0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.553 -3.172 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.262 -2.752 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.879 -1.199 1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.583 -0.776 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.363 0.269 -0.148 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.232 -7.378 -1.070 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.281 -8.411 -1.466 1.00 0.00 C ATOM 1288 C LEU A 84 -0.365 -7.910 -2.579 1.00 0.00 C ATOM 1289 O LEU A 84 -0.832 -7.496 -3.641 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.023 -9.666 -1.927 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.232 -10.749 -0.868 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.959 -11.558 -0.673 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.679 -10.129 0.448 1.00 0.00 C ATOM 0 H LEU A 84 -2.996 -7.233 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.668 -8.657 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.999 -9.367 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.474 -10.103 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.016 -11.422 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.127 -12.324 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.682 -12.033 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.154 -10.898 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.823 -10.914 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.917 -9.433 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.617 -9.595 0.298 1.00 0.00 H new ATOM 1305 N CYS A 85 0.939 -7.954 -2.330 1.00 0.00 N ATOM 1306 CA CYS A 85 1.920 -7.506 -3.311 1.00 0.00 C ATOM 1307 C CYS A 85 2.549 -8.693 -4.032 1.00 0.00 C ATOM 1308 O CYS A 85 3.351 -9.427 -3.456 1.00 0.00 O ATOM 1309 CB CYS A 85 3.007 -6.672 -2.632 1.00 0.00 C ATOM 1310 SG CYS A 85 4.094 -5.798 -3.783 1.00 0.00 S ATOM 0 H CYS A 85 1.341 -8.295 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 85 1.405 -6.888 -4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.533 -5.944 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.612 -7.325 -2.003 1.00 0.00 H new ATOM 0 HG CYS A 85 3.633 -4.600 -3.990 1.00 0.00 H new ATOM 1316 N GLU A 86 2.177 -8.877 -5.296 1.00 0.00 N ATOM 1317 CA GLU A 86 2.703 -9.978 -6.094 1.00 0.00 C ATOM 1318 C GLU A 86 3.800 -9.490 -7.036 1.00 0.00 C ATOM 1319 O GLU A 86 3.656 -8.458 -7.692 1.00 0.00 O ATOM 1320 CB GLU A 86 1.581 -10.636 -6.898 1.00 0.00 C ATOM 1321 CG GLU A 86 0.309 -10.861 -6.097 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.494 -12.046 -6.597 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -1.064 -11.951 -7.704 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.552 -13.068 -5.882 1.00 0.00 O ATOM 0 H GLU A 86 1.514 -8.278 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 86 3.132 -10.714 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.351 -10.013 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.933 -11.594 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.567 -11.018 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.308 -9.964 -6.143 1.00 0.00 H new ATOM 1331 N ILE A 87 4.896 -10.240 -7.097 1.00 0.00 N ATOM 1332 CA ILE A 87 6.017 -9.885 -7.959 1.00 0.00 C ATOM 1333 C ILE A 87 6.133 -10.849 -9.135 1.00 0.00 C ATOM 1334 O ILE A 87 6.073 -10.440 -10.294 1.00 0.00 O ATOM 1335 CB ILE A 87 7.345 -9.880 -7.181 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.503 -10.272 -8.102 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.266 -10.824 -5.990 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.833 -9.684 -7.685 1.00 0.00 C ATOM 0 H ILE A 87 5.031 -11.097 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 87 5.821 -8.880 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 87 7.526 -8.872 -6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.587 -11.359 -8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.274 -9.949 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.213 -10.809 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.464 -10.504 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.064 -11.836 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.607 -10.004 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.767 -8.596 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.084 -10.028 -6.682 1.00 0.00 H new ATOM 1350 N ASP A 88 6.297 -12.131 -8.828 1.00 0.00 N ATOM 1351 CA ASP A 88 6.419 -13.155 -9.859 1.00 0.00 C ATOM 1352 C ASP A 88 5.559 -14.369 -9.523 1.00 0.00 C ATOM 1353 O ASP A 88 4.530 -14.607 -10.154 1.00 0.00 O ATOM 1354 CB ASP A 88 7.880 -13.577 -10.019 1.00 0.00 C ATOM 1355 CG ASP A 88 8.210 -13.996 -11.438 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.648 -13.397 -12.379 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.029 -14.924 -11.608 1.00 0.00 O ATOM 0 H ASP A 88 6.349 -12.486 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 88 6.067 -12.732 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.528 -12.750 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.093 -14.403 -9.341 1.00 0.00 H new ATOM 1362 N ASP A 89 5.990 -15.134 -8.526 1.00 0.00 N ATOM 1363 CA ASP A 89 5.260 -16.325 -8.105 1.00 0.00 C ATOM 1364 C ASP A 89 4.803 -16.198 -6.655 1.00 0.00 C ATOM 1365 O ASP A 89 3.839 -16.841 -6.240 1.00 0.00 O ATOM 1366 CB ASP A 89 6.133 -17.569 -8.271 1.00 0.00 C ATOM 1367 CG ASP A 89 5.381 -18.849 -7.962 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.280 -19.040 -8.519 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.895 -19.660 -7.163 1.00 0.00 O ATOM 0 H ASP A 89 6.841 -14.951 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 89 4.378 -16.423 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.511 -17.611 -9.293 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.999 -17.492 -7.614 1.00 0.00 H new ATOM 1374 N GLU A 90 5.503 -15.367 -5.890 1.00 0.00 N ATOM 1375 CA GLU A 90 5.170 -15.159 -4.486 1.00 0.00 C ATOM 1376 C GLU A 90 4.418 -13.845 -4.294 1.00 0.00 C ATOM 1377 O GLU A 90 4.331 -13.028 -5.210 1.00 0.00 O ATOM 1378 CB GLU A 90 6.440 -15.162 -3.631 1.00 0.00 C ATOM 1379 CG GLU A 90 7.279 -16.418 -3.793 1.00 0.00 C ATOM 1380 CD GLU A 90 6.631 -17.637 -3.168 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.391 -17.640 -3.018 1.00 0.00 O ATOM 1382 OE2 GLU A 90 7.364 -18.590 -2.829 1.00 0.00 O ATOM 0 H GLU A 90 6.304 -14.827 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 90 4.524 -15.977 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.046 -14.294 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.162 -15.053 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.447 -16.604 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.257 -16.258 -3.339 1.00 0.00 H new ATOM 1389 N SER A 91 3.875 -13.650 -3.096 1.00 0.00 N ATOM 1390 CA SER A 91 3.127 -12.438 -2.784 1.00 0.00 C ATOM 1391 C SER A 91 3.356 -12.015 -1.337 1.00 0.00 C ATOM 1392 O SER A 91 3.613 -12.848 -0.468 1.00 0.00 O ATOM 1393 CB SER A 91 1.633 -12.658 -3.033 1.00 0.00 C ATOM 1394 OG SER A 91 1.153 -13.772 -2.301 1.00 0.00 O ATOM 0 H SER A 91 3.939 -14.316 -2.326 1.00 0.00 H new ATOM 0 HA SER A 91 3.484 -11.642 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.078 -11.764 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.458 -12.815 -4.097 1.00 0.00 H new ATOM 0 HG SER A 91 0.196 -13.890 -2.476 1.00 0.00 H new ATOM 1400 N ALA A 92 3.261 -10.713 -1.085 1.00 0.00 N ATOM 1401 CA ALA A 92 3.456 -10.178 0.257 1.00 0.00 C ATOM 1402 C ALA A 92 2.123 -9.817 0.903 1.00 0.00 C ATOM 1403 O ALA A 92 1.251 -9.231 0.262 1.00 0.00 O ATOM 1404 CB ALA A 92 4.370 -8.963 0.213 1.00 0.00 C ATOM 0 H ALA A 92 3.050 -10.010 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 92 3.927 -10.951 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.507 -8.574 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.337 -9.250 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.922 -8.193 -0.415 1.00 0.00 H new ATOM 1410 N SER A 93 1.972 -10.171 2.175 1.00 0.00 N ATOM 1411 CA SER A 93 0.743 -9.887 2.906 1.00 0.00 C ATOM 1412 C SER A 93 0.841 -8.552 3.638 1.00 0.00 C ATOM 1413 O SER A 93 1.743 -8.341 4.450 1.00 0.00 O ATOM 1414 CB SER A 93 0.448 -11.009 3.905 1.00 0.00 C ATOM 1415 OG SER A 93 -0.534 -10.609 4.845 1.00 0.00 O ATOM 0 H SER A 93 2.685 -10.655 2.721 1.00 0.00 H new ATOM 0 HA SER A 93 -0.073 -9.827 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.105 -11.895 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.364 -11.286 4.427 1.00 0.00 H new ATOM 0 HG SER A 93 -0.936 -11.403 5.256 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.093 -7.653 3.345 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.112 -6.338 3.973 1.00 0.00 C ATOM 1423 C PHE A 94 -1.523 -5.968 4.419 1.00 0.00 C ATOM 1424 O PHE A 94 -2.350 -5.540 3.613 1.00 0.00 O ATOM 1425 CB PHE A 94 0.423 -5.279 3.006 1.00 0.00 C ATOM 1426 CG PHE A 94 1.917 -5.309 2.851 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.740 -4.793 3.838 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.497 -5.854 1.716 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.115 -4.819 3.698 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.872 -5.884 1.571 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.681 -5.365 2.563 1.00 0.00 C ATOM 0 H PHE A 94 -0.847 -7.812 2.676 1.00 0.00 H new ATOM 0 HA PHE A 94 0.530 -6.375 4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.039 -5.424 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.122 -4.292 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.302 -4.365 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.869 -6.259 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.746 -4.413 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.313 -6.313 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.755 -5.386 2.451 1.00 0.00 H new ATOM 1441 N THR A 95 -1.793 -6.138 5.710 1.00 0.00 N ATOM 1442 CA THR A 95 -3.104 -5.824 6.265 1.00 0.00 C ATOM 1443 C THR A 95 -3.237 -4.333 6.552 1.00 0.00 C ATOM 1444 O THR A 95 -2.470 -3.770 7.332 1.00 0.00 O ATOM 1445 CB THR A 95 -3.368 -6.612 7.562 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.424 -8.014 7.281 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.670 -6.166 8.210 1.00 0.00 C ATOM 0 H THR A 95 -1.121 -6.492 6.391 1.00 0.00 H new ATOM 0 HA THR A 95 -3.842 -6.113 5.517 1.00 0.00 H new ATOM 0 HB THR A 95 -2.550 -6.414 8.254 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.590 -8.508 8.111 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.835 -6.736 9.124 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.612 -5.104 8.450 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.497 -6.337 7.521 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.217 -3.698 5.917 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.453 -2.272 6.107 1.00 0.00 C ATOM 1457 C VAL A 96 -5.912 -1.997 6.450 1.00 0.00 C ATOM 1458 O VAL A 96 -6.755 -1.855 5.564 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.073 -1.469 4.848 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.273 0.020 5.085 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.637 -1.764 4.442 1.00 0.00 C ATOM 0 H VAL A 96 -4.860 -4.149 5.266 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.822 -1.954 6.937 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.727 -1.774 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.000 0.572 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.319 0.213 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.644 0.344 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.385 -1.189 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.965 -1.487 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.530 -2.828 4.229 1.00 0.00 H new ATOM 1471 N THR A 97 -6.205 -1.921 7.745 1.00 0.00 N ATOM 1472 CA THR A 97 -7.563 -1.663 8.208 1.00 0.00 C ATOM 1473 C THR A 97 -7.805 -0.170 8.399 1.00 0.00 C ATOM 1474 O THR A 97 -7.092 0.493 9.152 1.00 0.00 O ATOM 1475 CB THR A 97 -7.853 -2.392 9.533 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.716 -3.807 9.354 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.255 -2.073 10.031 1.00 0.00 C ATOM 0 H THR A 97 -5.519 -2.035 8.492 1.00 0.00 H new ATOM 0 HA THR A 97 -8.236 -2.042 7.439 1.00 0.00 H new ATOM 0 HB THR A 97 -7.133 -2.048 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.900 -4.263 10.201 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.437 -2.599 10.968 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.348 -0.999 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.986 -2.392 9.288 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.815 0.354 7.712 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.152 1.769 7.808 1.00 0.00 C ATOM 1487 C VAL A 98 -10.400 1.981 8.658 1.00 0.00 C ATOM 1488 O VAL A 98 -11.338 1.185 8.612 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.382 2.387 6.416 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.879 3.819 6.542 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.105 2.328 5.590 1.00 0.00 C ATOM 0 H VAL A 98 -9.414 -0.180 7.083 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.305 2.264 8.282 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.148 1.806 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.036 4.239 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.819 3.831 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.139 4.416 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.285 2.769 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.317 2.884 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.797 1.289 5.470 1.00 0.00 H new ATOM 1501 N THR A 99 -10.404 3.060 9.434 1.00 0.00 N ATOM 1502 CA THR A 99 -11.536 3.377 10.296 1.00 0.00 C ATOM 1503 C THR A 99 -11.808 4.877 10.317 1.00 0.00 C ATOM 1504 O THR A 99 -11.044 5.663 9.758 1.00 0.00 O ATOM 1505 CB THR A 99 -11.299 2.889 11.737 1.00 0.00 C ATOM 1506 OG1 THR A 99 -10.040 3.375 12.218 1.00 0.00 O ATOM 1507 CG2 THR A 99 -11.320 1.369 11.805 1.00 0.00 C ATOM 0 H THR A 99 -9.636 3.729 9.483 1.00 0.00 H new ATOM 0 HA THR A 99 -12.402 2.859 9.883 1.00 0.00 H new ATOM 0 HB THR A 99 -12.102 3.276 12.364 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.897 3.062 13.136 1.00 0.00 H new ATOM 0 HG21 THR A 99 -11.150 1.048 12.833 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.289 1.003 11.466 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.536 0.965 11.165 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.900 5.267 10.968 1.00 0.00 N ATOM 1516 CA GLU A 100 -13.271 6.674 11.061 1.00 0.00 C ATOM 1517 C GLU A 100 -12.398 7.400 12.081 1.00 0.00 C ATOM 1518 O GLU A 100 -12.161 6.917 13.189 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.745 6.811 11.445 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.694 6.141 10.466 1.00 0.00 C ATOM 1521 CD GLU A 100 -17.058 5.868 11.069 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -17.116 5.218 12.134 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -18.068 6.303 10.477 1.00 0.00 O ATOM 0 H GLU A 100 -13.542 4.629 11.438 1.00 0.00 H new ATOM 0 HA GLU A 100 -13.114 7.131 10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.895 6.381 12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.997 7.869 11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.810 6.775 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.257 5.202 10.127 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.908 8.589 11.701 1.00 0.00 N ATOM 1531 CA PRO A 101 -11.055 9.407 12.567 1.00 0.00 C ATOM 1532 C PRO A 101 -11.820 9.991 13.750 1.00 0.00 C ATOM 1533 O PRO A 101 -13.050 10.044 13.760 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.574 10.524 11.637 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.625 10.622 10.586 1.00 0.00 C ATOM 1536 CD PRO A 101 -12.150 9.226 10.395 1.00 0.00 C ATOM 0 HA PRO A 101 -10.247 8.825 13.011 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.463 11.466 12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.602 10.287 11.204 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.421 11.300 10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.212 11.014 9.657 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.209 9.227 10.138 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.628 8.707 9.592 1.00 0.00 H new ATOM 1544 N PRO A 102 -11.077 10.442 14.772 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.665 11.031 15.978 1.00 0.00 C ATOM 1546 C PRO A 102 -12.296 12.393 15.710 1.00 0.00 C ATOM 1547 O PRO A 102 -12.172 12.941 14.614 1.00 0.00 O ATOM 1548 CB PRO A 102 -10.468 11.174 16.922 1.00 0.00 C ATOM 1549 CG PRO A 102 -9.284 11.265 16.023 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.606 10.411 14.828 1.00 0.00 C ATOM 0 HA PRO A 102 -12.472 10.418 16.379 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.560 12.063 17.546 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.390 10.319 17.594 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.097 12.297 15.726 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.384 10.910 16.525 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.161 10.811 13.917 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.230 9.395 14.947 1.00 0.00 H new ATOM 1558 N VAL A 103 -12.975 12.934 16.716 1.00 0.00 N ATOM 1559 CA VAL A 103 -13.625 14.233 16.589 1.00 0.00 C ATOM 1560 C VAL A 103 -12.642 15.368 16.852 1.00 0.00 C ATOM 1561 O VAL A 103 -11.909 15.351 17.841 1.00 0.00 O ATOM 1562 CB VAL A 103 -14.814 14.363 17.560 1.00 0.00 C ATOM 1563 CG1 VAL A 103 -14.404 13.949 18.965 1.00 0.00 C ATOM 1564 CG2 VAL A 103 -15.356 15.784 17.550 1.00 0.00 C ATOM 0 H VAL A 103 -13.089 12.493 17.628 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.992 14.304 15.565 1.00 0.00 H new ATOM 0 HB VAL A 103 -15.608 13.694 17.228 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.257 14.047 19.637 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.068 12.912 18.955 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -13.593 14.590 19.311 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.195 15.858 18.241 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.571 16.475 17.857 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -15.691 16.039 16.544 1.00 0.00 H new ATOM 1574 N ARG A 104 -12.632 16.353 15.961 1.00 0.00 N ATOM 1575 CA ARG A 104 -11.738 17.497 16.096 1.00 0.00 C ATOM 1576 C ARG A 104 -12.487 18.804 15.851 1.00 0.00 C ATOM 1577 O ARG A 104 -12.787 19.543 16.789 1.00 0.00 O ATOM 1578 CB ARG A 104 -10.568 17.376 15.117 1.00 0.00 C ATOM 1579 CG ARG A 104 -9.527 16.351 15.536 1.00 0.00 C ATOM 1580 CD ARG A 104 -8.331 16.356 14.597 1.00 0.00 C ATOM 1581 NE ARG A 104 -8.558 15.526 13.417 1.00 0.00 N ATOM 1582 CZ ARG A 104 -7.925 15.701 12.263 1.00 0.00 C ATOM 1583 NH1 ARG A 104 -7.031 16.671 12.134 1.00 0.00 N ATOM 1584 NH2 ARG A 104 -8.186 14.904 11.234 1.00 0.00 N ATOM 0 H ARG A 104 -13.233 16.382 15.137 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.351 17.505 17.115 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.954 17.108 14.134 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.087 18.349 15.016 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.194 16.563 16.552 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.977 15.358 15.549 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.119 17.379 14.285 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.451 15.996 15.129 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.240 14.771 13.483 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.828 17.285 12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.546 16.803 11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.873 14.156 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.699 15.039 10.348 1.00 0.00 H new ATOM 1598 N ILE A 105 -12.783 19.082 14.586 1.00 0.00 N ATOM 1599 CA ILE A 105 -13.497 20.299 14.219 1.00 0.00 C ATOM 1600 C ILE A 105 -14.860 19.977 13.618 1.00 0.00 C ATOM 1601 O ILE A 105 -15.221 20.494 12.560 1.00 0.00 O ATOM 1602 CB ILE A 105 -12.691 21.143 13.214 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -11.207 21.143 13.589 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -13.230 22.564 13.163 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -10.944 21.574 15.015 1.00 0.00 C ATOM 0 H ILE A 105 -12.540 18.481 13.798 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.634 20.873 15.135 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.796 20.700 12.224 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.803 20.142 13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -10.670 21.807 12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.650 23.148 12.448 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.275 22.546 12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.152 23.018 14.151 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -9.872 21.550 15.210 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.317 22.587 15.164 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.453 20.896 15.700 1.00 0.00 H new ATOM 1617 N ILE A 106 -15.614 19.121 14.299 1.00 0.00 N ATOM 1618 CA ILE A 106 -16.939 18.732 13.833 1.00 0.00 C ATOM 1619 C ILE A 106 -17.820 19.955 13.597 1.00 0.00 C ATOM 1620 O ILE A 106 -17.553 21.036 14.123 1.00 0.00 O ATOM 1621 CB ILE A 106 -17.638 17.798 14.839 1.00 0.00 C ATOM 1622 CG1 ILE A 106 -18.783 17.046 14.158 1.00 0.00 C ATOM 1623 CG2 ILE A 106 -18.152 18.591 16.030 1.00 0.00 C ATOM 1624 CD1 ILE A 106 -19.404 15.975 15.028 1.00 0.00 C ATOM 0 H ILE A 106 -15.330 18.684 15.176 1.00 0.00 H new ATOM 0 HA ILE A 106 -16.799 18.200 12.892 1.00 0.00 H new ATOM 0 HB ILE A 106 -16.913 17.069 15.200 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -19.554 17.760 13.868 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -18.412 16.588 13.241 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -18.643 17.917 16.731 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -17.317 19.085 16.526 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -18.865 19.341 15.687 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -20.209 15.483 14.481 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -18.646 15.240 15.297 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.806 16.430 15.934 1.00 0.00 H new ATOM 1636 N TYR A 107 -18.870 19.776 12.804 1.00 0.00 N ATOM 1637 CA TYR A 107 -19.790 20.865 12.497 1.00 0.00 C ATOM 1638 C TYR A 107 -21.221 20.492 12.874 1.00 0.00 C ATOM 1639 O TYR A 107 -21.914 21.250 13.553 1.00 0.00 O ATOM 1640 CB TYR A 107 -19.718 21.218 11.011 1.00 0.00 C ATOM 1641 CG TYR A 107 -19.894 20.026 10.096 1.00 0.00 C ATOM 1642 CD1 TYR A 107 -18.883 19.085 9.947 1.00 0.00 C ATOM 1643 CD2 TYR A 107 -21.071 19.842 9.381 1.00 0.00 C ATOM 1644 CE1 TYR A 107 -19.038 17.996 9.112 1.00 0.00 C ATOM 1645 CE2 TYR A 107 -21.236 18.754 8.546 1.00 0.00 C ATOM 1646 CZ TYR A 107 -20.217 17.834 8.414 1.00 0.00 C ATOM 1647 OH TYR A 107 -20.377 16.750 7.582 1.00 0.00 O ATOM 0 H TYR A 107 -19.106 18.887 12.362 1.00 0.00 H new ATOM 0 HA TYR A 107 -19.493 21.734 13.085 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -20.487 21.956 10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -18.756 21.686 10.803 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -17.960 19.207 10.494 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -21.870 20.562 9.480 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -18.241 17.275 9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -22.158 18.624 7.999 1.00 0.00 H new ATOM 0 HH TYR A 107 -21.264 16.784 7.167 1.00 0.00 H new ATOM 1657 N SER A 108 -21.656 19.318 12.429 1.00 0.00 N ATOM 1658 CA SER A 108 -23.005 18.843 12.716 1.00 0.00 C ATOM 1659 C SER A 108 -24.016 19.981 12.605 1.00 0.00 C ATOM 1660 O SER A 108 -24.923 20.103 13.427 1.00 0.00 O ATOM 1661 CB SER A 108 -23.065 18.228 14.115 1.00 0.00 C ATOM 1662 OG SER A 108 -22.767 19.192 15.110 1.00 0.00 O ATOM 0 H SER A 108 -21.094 18.678 11.868 1.00 0.00 H new ATOM 0 HA SER A 108 -23.259 18.080 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 108 -24.058 17.814 14.291 1.00 0.00 H new ATOM 0 HB3 SER A 108 -22.358 17.401 14.183 1.00 0.00 H new ATOM 0 HG SER A 108 -22.576 20.054 14.684 1.00 0.00 H new ATOM 1668 N GLY A 109 -23.851 20.812 11.580 1.00 0.00 N ATOM 1669 CA GLY A 109 -24.756 21.929 11.379 1.00 0.00 C ATOM 1670 C GLY A 109 -25.511 21.835 10.068 1.00 0.00 C ATOM 1671 O GLY A 109 -26.479 21.085 9.938 1.00 0.00 O ATOM 0 H GLY A 109 -23.108 20.732 10.886 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -25.468 21.968 12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -24.190 22.860 11.403 1.00 0.00 H new ATOM 1675 N PRO A 110 -25.068 22.610 9.068 1.00 0.00 N ATOM 1676 CA PRO A 110 -25.695 22.629 7.743 1.00 0.00 C ATOM 1677 C PRO A 110 -25.463 21.334 6.973 1.00 0.00 C ATOM 1678 O PRO A 110 -24.548 20.571 7.284 1.00 0.00 O ATOM 1679 CB PRO A 110 -25.005 23.801 7.040 1.00 0.00 C ATOM 1680 CG PRO A 110 -23.686 23.927 7.722 1.00 0.00 C ATOM 1681 CD PRO A 110 -23.919 23.528 9.153 1.00 0.00 C ATOM 0 HA PRO A 110 -26.778 22.731 7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -24.883 23.607 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -25.588 24.717 7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -22.942 23.283 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.310 24.948 7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -23.044 23.039 9.581 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -24.140 24.392 9.780 1.00 0.00 H new ATOM 1689 N SER A 111 -26.297 21.091 5.967 1.00 0.00 N ATOM 1690 CA SER A 111 -26.184 19.886 5.154 1.00 0.00 C ATOM 1691 C SER A 111 -25.808 18.684 6.015 1.00 0.00 C ATOM 1692 O SER A 111 -24.959 17.876 5.636 1.00 0.00 O ATOM 1693 CB SER A 111 -25.141 20.084 4.052 1.00 0.00 C ATOM 1694 OG SER A 111 -23.831 20.125 4.591 1.00 0.00 O ATOM 0 H SER A 111 -27.059 21.713 5.695 1.00 0.00 H new ATOM 0 HA SER A 111 -27.154 19.694 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 111 -25.214 19.273 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 111 -25.346 21.010 3.515 1.00 0.00 H new ATOM 0 HG SER A 111 -23.881 20.184 5.568 1.00 0.00 H new ATOM 1700 N SER A 112 -26.447 18.572 7.175 1.00 0.00 N ATOM 1701 CA SER A 112 -26.179 17.470 8.092 1.00 0.00 C ATOM 1702 C SER A 112 -26.534 16.132 7.453 1.00 0.00 C ATOM 1703 O SER A 112 -25.770 15.170 7.533 1.00 0.00 O ATOM 1704 CB SER A 112 -26.969 17.655 9.389 1.00 0.00 C ATOM 1705 OG SER A 112 -28.363 17.688 9.136 1.00 0.00 O ATOM 0 H SER A 112 -27.154 19.231 7.502 1.00 0.00 H new ATOM 0 HA SER A 112 -25.113 17.471 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 112 -26.740 16.841 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.663 18.581 9.876 1.00 0.00 H new ATOM 0 HG SER A 112 -28.846 17.805 9.981 1.00 0.00 H new ATOM 1711 N GLY A 113 -27.700 16.077 6.817 1.00 0.00 N ATOM 1712 CA GLY A 113 -28.138 14.853 6.173 1.00 0.00 C ATOM 1713 C GLY A 113 -27.743 13.614 6.952 1.00 0.00 C ATOM 1714 O GLY A 113 -28.600 12.906 7.480 1.00 0.00 O ATOM 0 H GLY A 113 -28.350 16.859 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -29.222 14.875 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -27.711 14.800 5.172 1.00 0.00 H new TER 1718 GLY A 113