USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.586 K(o=-0.59,f=0.56) USER MOD Set 2.1: A 48 CYS SG : rot -72:sc= 1.19 USER MOD Set 2.2: A 54 SER OG : rot 170:sc= 0.72 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.871 K(o=0.87,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.977 K(o=0.98,f=-0.054) USER MOD Single : A 17 HIS : no HE2:sc= 0.115 K(o=0.11,f=-1.3) USER MOD Single : A 19 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.15) USER MOD Single : A 23 ASN : amide:sc= 0.726 K(o=0.73,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.21) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.916) USER MOD Single : A 41 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.063) USER MOD Single : A 43 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.22) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.187 USER MOD Single : A 49 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.18) USER MOD Single : A 53 GLN : amide:sc= -0.383 K(o=-0.38,f=-3.5!) USER MOD Single : A 56 GLN : amide:sc= 0.88 K(o=0.88,f=-0.037) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 79:sc= 1.28 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.863 K(o=0.86,f=0.023) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -179:sc= 0 (180deg=-0.0027) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 1.85 (180deg=1.8) USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.677 -2.179 -3.849 1.00 0.00 N ATOM 2 CA ALA A 1 3.079 -0.898 -3.410 1.00 0.00 C ATOM 3 C ALA A 1 2.301 -0.277 -4.569 1.00 0.00 C ATOM 4 O ALA A 1 2.859 -0.080 -5.653 1.00 0.00 O ATOM 5 CB ALA A 1 4.148 0.077 -2.885 1.00 0.00 C ATOM 0 H1 ALA A 1 4.207 -2.603 -3.061 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.923 -2.829 -4.149 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.322 -2.006 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 1 2.397 -1.100 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.671 1.006 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.663 -0.371 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.868 0.287 -3.676 1.00 0.00 H new ATOM 13 N GLU A 2 1.017 0.028 -4.371 1.00 0.00 N ATOM 14 CA GLU A 2 0.180 0.695 -5.362 1.00 0.00 C ATOM 15 C GLU A 2 -0.794 1.642 -4.657 1.00 0.00 C ATOM 16 O GLU A 2 -1.142 1.422 -3.491 1.00 0.00 O ATOM 17 CB GLU A 2 -0.568 -0.355 -6.211 1.00 0.00 C ATOM 18 CG GLU A 2 -1.618 -1.167 -5.429 1.00 0.00 C ATOM 19 CD GLU A 2 -2.131 -2.372 -6.231 1.00 0.00 C ATOM 20 OE1 GLU A 2 -1.519 -3.462 -6.158 1.00 0.00 O ATOM 21 OE2 GLU A 2 -3.150 -2.240 -6.947 1.00 0.00 O ATOM 0 H GLU A 2 0.525 -0.186 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 2 0.803 1.286 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.061 0.150 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.160 -1.043 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.183 -1.514 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.457 -0.521 -5.170 1.00 0.00 H new ATOM 28 N HIS A 3 -1.288 2.639 -5.393 1.00 0.00 N ATOM 29 CA HIS A 3 -2.387 3.503 -4.989 1.00 0.00 C ATOM 30 C HIS A 3 -3.248 3.726 -6.229 1.00 0.00 C ATOM 31 O HIS A 3 -2.754 4.200 -7.255 1.00 0.00 O ATOM 32 CB HIS A 3 -1.883 4.843 -4.425 1.00 0.00 C ATOM 33 CG HIS A 3 -1.329 4.762 -3.022 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.035 4.453 -1.878 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.046 5.045 -2.634 1.00 0.00 C ATOM 36 CE1 HIS A 3 -1.194 4.535 -0.833 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.037 4.898 -1.242 1.00 0.00 N ATOM 0 H HIS A 3 -0.919 2.871 -6.315 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.960 3.035 -4.189 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.109 5.233 -5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.704 5.560 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.764 5.332 -3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.467 4.337 0.193 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.862 5.038 -0.658 1.00 0.00 H new ATOM 45 N TRP A 4 -4.528 3.362 -6.132 1.00 0.00 N ATOM 46 CA TRP A 4 -5.526 3.664 -7.147 1.00 0.00 C ATOM 47 C TRP A 4 -5.922 5.117 -6.933 1.00 0.00 C ATOM 48 O TRP A 4 -6.399 5.472 -5.853 1.00 0.00 O ATOM 49 CB TRP A 4 -6.726 2.712 -7.022 1.00 0.00 C ATOM 50 CG TRP A 4 -6.425 1.289 -7.398 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.605 0.450 -6.724 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.886 0.528 -8.560 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.503 -0.751 -7.391 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.290 -0.770 -8.521 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.738 0.807 -9.652 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.529 -1.738 -9.509 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.985 -0.158 -10.647 1.00 0.00 C ATOM 58 CH2 TRP A 4 -7.383 -1.427 -10.579 1.00 0.00 C ATOM 0 H TRP A 4 -4.900 2.844 -5.336 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.136 3.523 -8.155 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.089 2.736 -5.994 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.535 3.080 -7.654 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.103 0.687 -5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.918 -1.529 -7.086 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.208 1.777 -9.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.062 -2.710 -9.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.643 0.079 -11.470 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.577 -2.160 -11.348 1.00 0.00 H new ATOM 69 N ILE A 5 -5.694 5.957 -7.937 1.00 0.00 N ATOM 70 CA ILE A 5 -5.830 7.401 -7.848 1.00 0.00 C ATOM 71 C ILE A 5 -6.742 7.788 -9.006 1.00 0.00 C ATOM 72 O ILE A 5 -6.347 7.767 -10.173 1.00 0.00 O ATOM 73 CB ILE A 5 -4.434 8.070 -7.865 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.668 7.794 -6.547 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.542 9.594 -8.055 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.151 7.848 -6.717 1.00 0.00 C ATOM 0 H ILE A 5 -5.401 5.640 -8.861 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.275 7.746 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.891 7.638 -8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.970 8.525 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.951 6.812 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.544 10.031 -8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.039 9.808 -9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.120 10.023 -7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.670 7.647 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.839 7.098 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.859 8.838 -7.068 1.00 0.00 H new ATOM 88 N ASP A 6 -7.993 8.087 -8.676 1.00 0.00 N ATOM 89 CA ASP A 6 -8.931 8.673 -9.611 1.00 0.00 C ATOM 90 C ASP A 6 -8.458 10.097 -9.897 1.00 0.00 C ATOM 91 O ASP A 6 -8.292 10.879 -8.956 1.00 0.00 O ATOM 92 CB ASP A 6 -10.322 8.681 -8.976 1.00 0.00 C ATOM 93 CG ASP A 6 -11.428 9.029 -9.968 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.172 9.614 -11.043 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.590 8.701 -9.655 1.00 0.00 O ATOM 0 H ASP A 6 -8.382 7.927 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.982 8.106 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.524 7.701 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.337 9.400 -8.156 1.00 0.00 H new ATOM 100 N VAL A 7 -8.247 10.456 -11.158 1.00 0.00 N ATOM 101 CA VAL A 7 -7.825 11.793 -11.567 1.00 0.00 C ATOM 102 C VAL A 7 -8.946 12.518 -12.325 1.00 0.00 C ATOM 103 O VAL A 7 -8.724 13.619 -12.834 1.00 0.00 O ATOM 104 CB VAL A 7 -6.479 11.745 -12.328 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.336 11.172 -11.477 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.531 10.919 -13.618 1.00 0.00 C ATOM 0 H VAL A 7 -8.367 9.814 -11.941 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.637 12.392 -10.676 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.289 12.791 -12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.416 11.162 -12.062 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.196 11.792 -10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.583 10.155 -11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.552 10.931 -14.097 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.807 9.891 -13.381 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.271 11.347 -14.294 1.00 0.00 H new ATOM 116 N ARG A 8 -10.157 11.946 -12.406 1.00 0.00 N ATOM 117 CA ARG A 8 -11.312 12.675 -12.930 1.00 0.00 C ATOM 118 C ARG A 8 -11.635 13.860 -12.026 1.00 0.00 C ATOM 119 O ARG A 8 -11.214 13.900 -10.862 1.00 0.00 O ATOM 120 CB ARG A 8 -12.488 11.727 -13.202 1.00 0.00 C ATOM 121 CG ARG A 8 -13.552 11.611 -12.121 1.00 0.00 C ATOM 122 CD ARG A 8 -14.546 10.520 -12.538 1.00 0.00 C ATOM 123 NE ARG A 8 -14.200 9.243 -11.919 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.094 8.327 -11.546 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.337 8.308 -12.019 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.739 7.437 -10.643 1.00 0.00 N ATOM 0 H ARG A 8 -10.357 10.988 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.075 13.102 -13.904 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.975 12.049 -14.122 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.084 10.732 -13.386 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.095 11.362 -11.163 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.066 12.563 -11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.555 10.810 -12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.546 10.416 -13.623 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.213 9.039 -11.762 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.637 9.012 -12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.990 7.589 -11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.799 7.459 -10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.404 6.725 -10.340 1.00 0.00 H new ATOM 140 N VAL A 9 -12.374 14.824 -12.577 1.00 0.00 N ATOM 141 CA VAL A 9 -12.751 16.033 -11.855 1.00 0.00 C ATOM 142 C VAL A 9 -13.507 15.633 -10.568 1.00 0.00 C ATOM 143 O VAL A 9 -14.218 14.622 -10.576 1.00 0.00 O ATOM 144 CB VAL A 9 -13.507 17.015 -12.780 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.593 17.484 -13.924 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.792 16.433 -13.380 1.00 0.00 C ATOM 0 H VAL A 9 -12.726 14.786 -13.534 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.869 16.588 -11.536 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.796 17.853 -12.146 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.139 18.175 -14.566 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.720 17.988 -13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.271 16.622 -14.509 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.267 17.179 -14.017 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.550 15.551 -13.973 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.475 16.154 -12.577 1.00 0.00 H new ATOM 156 N PRO A 10 -13.407 16.394 -9.464 1.00 0.00 N ATOM 157 CA PRO A 10 -13.867 15.925 -8.157 1.00 0.00 C ATOM 158 C PRO A 10 -15.374 15.669 -8.106 1.00 0.00 C ATOM 159 O PRO A 10 -15.829 14.750 -7.421 1.00 0.00 O ATOM 160 CB PRO A 10 -13.421 16.994 -7.154 1.00 0.00 C ATOM 161 CG PRO A 10 -13.266 18.260 -7.999 1.00 0.00 C ATOM 162 CD PRO A 10 -12.849 17.736 -9.371 1.00 0.00 C ATOM 0 HA PRO A 10 -13.433 14.953 -7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.159 17.131 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.483 16.720 -6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.199 18.822 -8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.514 18.930 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.231 18.375 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.764 17.717 -9.470 1.00 0.00 H new ATOM 170 N GLU A 11 -16.165 16.444 -8.848 1.00 0.00 N ATOM 171 CA GLU A 11 -17.611 16.263 -8.918 1.00 0.00 C ATOM 172 C GLU A 11 -17.989 14.987 -9.672 1.00 0.00 C ATOM 173 O GLU A 11 -19.041 14.416 -9.388 1.00 0.00 O ATOM 174 CB GLU A 11 -18.247 17.473 -9.609 1.00 0.00 C ATOM 175 CG GLU A 11 -18.269 18.707 -8.697 1.00 0.00 C ATOM 176 CD GLU A 11 -18.948 19.905 -9.385 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.182 20.072 -9.252 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.255 20.706 -10.052 1.00 0.00 O ATOM 0 H GLU A 11 -15.818 17.216 -9.418 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.985 16.172 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.693 17.704 -10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.265 17.226 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.797 18.469 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.249 18.975 -8.421 1.00 0.00 H new ATOM 185 N GLN A 12 -17.154 14.521 -10.610 1.00 0.00 N ATOM 186 CA GLN A 12 -17.423 13.302 -11.362 1.00 0.00 C ATOM 187 C GLN A 12 -16.943 12.109 -10.538 1.00 0.00 C ATOM 188 O GLN A 12 -17.586 11.062 -10.562 1.00 0.00 O ATOM 189 CB GLN A 12 -16.763 13.360 -12.756 1.00 0.00 C ATOM 190 CG GLN A 12 -17.555 14.268 -13.713 1.00 0.00 C ATOM 191 CD GLN A 12 -16.943 14.353 -15.118 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.064 13.583 -15.499 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.393 15.300 -15.925 1.00 0.00 N ATOM 0 H GLN A 12 -16.279 14.980 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.493 13.195 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.742 13.730 -12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.701 12.355 -13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.577 13.897 -13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.611 15.270 -13.288 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.123 15.938 -15.606 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.010 15.392 -16.866 1.00 0.00 H new ATOM 202 N TYR A 13 -15.846 12.261 -9.785 1.00 0.00 N ATOM 203 CA TYR A 13 -15.310 11.205 -8.931 1.00 0.00 C ATOM 204 C TYR A 13 -16.381 10.702 -7.959 1.00 0.00 C ATOM 205 O TYR A 13 -16.585 9.495 -7.829 1.00 0.00 O ATOM 206 CB TYR A 13 -14.046 11.699 -8.205 1.00 0.00 C ATOM 207 CG TYR A 13 -13.902 11.251 -6.759 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.594 9.912 -6.447 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.067 12.189 -5.721 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.412 9.529 -5.107 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.923 11.802 -4.378 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.584 10.467 -4.064 1.00 0.00 C ATOM 213 OH TYR A 13 -13.398 10.078 -2.771 1.00 0.00 O ATOM 0 H TYR A 13 -15.306 13.126 -9.754 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.019 10.356 -9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.173 11.358 -8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.036 12.789 -8.232 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.498 9.181 -7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.306 13.215 -5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.139 8.511 -4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.071 12.523 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.553 10.840 -2.175 1.00 0.00 H new ATOM 223 N GLN A 14 -17.098 11.631 -7.318 1.00 0.00 N ATOM 224 CA GLN A 14 -18.074 11.307 -6.282 1.00 0.00 C ATOM 225 C GLN A 14 -19.242 10.461 -6.808 1.00 0.00 C ATOM 226 O GLN A 14 -19.897 9.789 -6.009 1.00 0.00 O ATOM 227 CB GLN A 14 -18.595 12.610 -5.653 1.00 0.00 C ATOM 228 CG GLN A 14 -17.533 13.286 -4.774 1.00 0.00 C ATOM 229 CD GLN A 14 -17.918 14.725 -4.433 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.684 14.987 -3.508 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.396 15.685 -5.179 1.00 0.00 N ATOM 0 H GLN A 14 -17.015 12.630 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.570 10.701 -5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.903 13.296 -6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.480 12.395 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.404 12.715 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.573 13.278 -5.291 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.762 15.450 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.628 16.660 -4.990 1.00 0.00 H new ATOM 240 N GLN A 15 -19.522 10.492 -8.118 1.00 0.00 N ATOM 241 CA GLN A 15 -20.709 9.860 -8.680 1.00 0.00 C ATOM 242 C GLN A 15 -20.645 8.337 -8.509 1.00 0.00 C ATOM 243 O GLN A 15 -21.628 7.744 -8.073 1.00 0.00 O ATOM 244 CB GLN A 15 -20.895 10.262 -10.155 1.00 0.00 C ATOM 245 CG GLN A 15 -20.973 11.785 -10.383 1.00 0.00 C ATOM 246 CD GLN A 15 -22.062 12.482 -9.562 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.203 12.032 -9.483 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.731 13.595 -8.927 1.00 0.00 N ATOM 0 H GLN A 15 -18.932 10.955 -8.809 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.583 10.214 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.067 9.859 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.807 9.801 -10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.008 12.229 -10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.152 11.975 -11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.781 13.960 -8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.426 14.088 -8.366 1.00 0.00 H new ATOM 257 N GLU A 16 -19.495 7.715 -8.797 1.00 0.00 N ATOM 258 CA GLU A 16 -19.188 6.310 -8.525 1.00 0.00 C ATOM 259 C GLU A 16 -17.708 6.104 -8.854 1.00 0.00 C ATOM 260 O GLU A 16 -17.244 6.620 -9.873 1.00 0.00 O ATOM 261 CB GLU A 16 -20.069 5.379 -9.382 1.00 0.00 C ATOM 262 CG GLU A 16 -19.794 3.902 -9.078 1.00 0.00 C ATOM 263 CD GLU A 16 -21.027 3.024 -9.343 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.212 2.545 -10.485 1.00 0.00 O ATOM 265 OE2 GLU A 16 -21.816 2.809 -8.394 1.00 0.00 O ATOM 0 H GLU A 16 -18.720 8.202 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.391 6.068 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.120 5.599 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.885 5.574 -10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.962 3.554 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.490 3.796 -8.037 1.00 0.00 H new ATOM 272 N HIS A 17 -16.958 5.362 -8.035 1.00 0.00 N ATOM 273 CA HIS A 17 -15.514 5.182 -8.177 1.00 0.00 C ATOM 274 C HIS A 17 -15.093 3.789 -7.708 1.00 0.00 C ATOM 275 O HIS A 17 -15.835 3.138 -6.972 1.00 0.00 O ATOM 276 CB HIS A 17 -14.776 6.284 -7.401 1.00 0.00 C ATOM 277 CG HIS A 17 -14.651 6.049 -5.915 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.672 5.852 -5.009 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.476 6.009 -5.215 1.00 0.00 C ATOM 280 CE1 HIS A 17 -15.120 5.734 -3.790 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.779 5.822 -3.860 1.00 0.00 N ATOM 0 H HIS A 17 -17.348 4.859 -7.238 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.245 5.264 -9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.776 6.395 -7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.295 7.229 -7.561 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.668 5.804 -5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.486 6.105 -5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.677 5.588 -2.877 1.00 0.00 H new ATOM 289 N VAL A 18 -13.914 3.331 -8.132 1.00 0.00 N ATOM 290 CA VAL A 18 -13.355 2.047 -7.724 1.00 0.00 C ATOM 291 C VAL A 18 -13.139 2.095 -6.209 1.00 0.00 C ATOM 292 O VAL A 18 -12.522 3.036 -5.700 1.00 0.00 O ATOM 293 CB VAL A 18 -12.048 1.764 -8.497 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.452 0.406 -8.103 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.280 1.769 -10.019 1.00 0.00 C ATOM 0 H VAL A 18 -13.316 3.849 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.034 1.228 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.353 2.561 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.533 0.235 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.232 0.401 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.167 -0.385 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.339 1.567 -10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.007 1.000 -10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.658 2.744 -10.326 1.00 0.00 H new ATOM 305 N GLN A 19 -13.661 1.101 -5.485 1.00 0.00 N ATOM 306 CA GLN A 19 -13.587 1.097 -4.028 1.00 0.00 C ATOM 307 C GLN A 19 -12.127 1.073 -3.553 1.00 0.00 C ATOM 308 O GLN A 19 -11.265 0.455 -4.185 1.00 0.00 O ATOM 309 CB GLN A 19 -14.431 -0.049 -3.442 1.00 0.00 C ATOM 310 CG GLN A 19 -13.946 -1.464 -3.796 1.00 0.00 C ATOM 311 CD GLN A 19 -14.847 -2.540 -3.183 1.00 0.00 C ATOM 312 OE1 GLN A 19 -16.064 -2.528 -3.343 1.00 0.00 O ATOM 313 NE2 GLN A 19 -14.277 -3.499 -2.470 1.00 0.00 N ATOM 0 H GLN A 19 -14.137 0.293 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.018 2.024 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.448 0.051 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.458 0.063 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.924 -1.581 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.924 -1.598 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.265 -3.505 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.850 -4.232 -2.051 1.00 0.00 H new ATOM 322 N GLY A 20 -11.853 1.741 -2.430 1.00 0.00 N ATOM 323 CA GLY A 20 -10.536 1.783 -1.800 1.00 0.00 C ATOM 324 C GLY A 20 -9.556 2.760 -2.462 1.00 0.00 C ATOM 325 O GLY A 20 -8.467 2.973 -1.923 1.00 0.00 O ATOM 0 H GLY A 20 -12.557 2.278 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.655 2.059 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.104 0.783 -1.819 1.00 0.00 H new ATOM 329 N ALA A 21 -9.909 3.358 -3.606 1.00 0.00 N ATOM 330 CA ALA A 21 -9.100 4.378 -4.264 1.00 0.00 C ATOM 331 C ALA A 21 -9.130 5.705 -3.485 1.00 0.00 C ATOM 332 O ALA A 21 -9.909 5.883 -2.543 1.00 0.00 O ATOM 333 CB ALA A 21 -9.622 4.576 -5.693 1.00 0.00 C ATOM 0 H ALA A 21 -10.774 3.142 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.062 4.046 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.025 5.337 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.549 3.636 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.663 4.896 -5.659 1.00 0.00 H new ATOM 339 N ILE A 22 -8.316 6.658 -3.935 1.00 0.00 N ATOM 340 CA ILE A 22 -8.323 8.061 -3.523 1.00 0.00 C ATOM 341 C ILE A 22 -8.627 8.883 -4.786 1.00 0.00 C ATOM 342 O ILE A 22 -8.535 8.354 -5.897 1.00 0.00 O ATOM 343 CB ILE A 22 -6.977 8.403 -2.826 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.023 9.766 -2.098 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.782 8.347 -3.794 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.772 10.055 -1.258 1.00 0.00 C ATOM 0 H ILE A 22 -7.597 6.463 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.086 8.293 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.829 7.628 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.146 10.559 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.900 9.794 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.866 8.594 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.698 7.343 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.934 9.064 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.874 11.027 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.658 9.283 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.894 10.060 -1.903 1.00 0.00 H new ATOM 358 N ASN A 23 -8.961 10.170 -4.652 1.00 0.00 N ATOM 359 CA ASN A 23 -9.150 11.064 -5.791 1.00 0.00 C ATOM 360 C ASN A 23 -8.235 12.257 -5.643 1.00 0.00 C ATOM 361 O ASN A 23 -8.211 12.913 -4.598 1.00 0.00 O ATOM 362 CB ASN A 23 -10.607 11.506 -5.919 1.00 0.00 C ATOM 363 CG ASN A 23 -10.838 12.642 -6.922 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.357 13.690 -6.559 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.477 12.479 -8.188 1.00 0.00 N ATOM 0 H ASN A 23 -9.107 10.619 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.898 10.527 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.210 10.648 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.965 11.824 -4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.631 13.228 -8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.045 11.605 -8.487 1.00 0.00 H new ATOM 372 N ILE A 24 -7.487 12.526 -6.705 1.00 0.00 N ATOM 373 CA ILE A 24 -6.567 13.637 -6.822 1.00 0.00 C ATOM 374 C ILE A 24 -6.789 14.129 -8.260 1.00 0.00 C ATOM 375 O ILE A 24 -6.129 13.632 -9.170 1.00 0.00 O ATOM 376 CB ILE A 24 -5.107 13.214 -6.502 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.965 12.270 -5.282 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.301 14.496 -6.251 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.525 11.813 -5.021 1.00 0.00 C ATOM 0 H ILE A 24 -7.510 11.946 -7.544 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.744 14.436 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.737 12.644 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.342 12.778 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.593 11.393 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.267 14.237 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.329 15.124 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.733 15.039 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.504 11.155 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.150 11.276 -5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.896 12.683 -4.833 1.00 0.00 H new ATOM 391 N PRO A 25 -7.798 14.988 -8.504 1.00 0.00 N ATOM 392 CA PRO A 25 -8.190 15.407 -9.847 1.00 0.00 C ATOM 393 C PRO A 25 -7.017 15.931 -10.669 1.00 0.00 C ATOM 394 O PRO A 25 -6.096 16.517 -10.108 1.00 0.00 O ATOM 395 CB PRO A 25 -9.221 16.518 -9.646 1.00 0.00 C ATOM 396 CG PRO A 25 -9.831 16.203 -8.285 1.00 0.00 C ATOM 397 CD PRO A 25 -8.662 15.607 -7.509 1.00 0.00 C ATOM 0 HA PRO A 25 -8.584 14.556 -10.403 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.755 17.503 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.975 16.512 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.221 17.099 -7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.660 15.500 -8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.128 16.378 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.009 14.873 -6.782 1.00 0.00 H new ATOM 405 N LEU A 26 -7.092 15.842 -11.999 1.00 0.00 N ATOM 406 CA LEU A 26 -6.078 16.383 -12.911 1.00 0.00 C ATOM 407 C LEU A 26 -5.749 17.858 -12.622 1.00 0.00 C ATOM 408 O LEU A 26 -4.593 18.264 -12.729 1.00 0.00 O ATOM 409 CB LEU A 26 -6.569 16.188 -14.356 1.00 0.00 C ATOM 410 CG LEU A 26 -5.648 16.783 -15.441 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.284 16.083 -15.464 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.325 16.645 -16.809 1.00 0.00 C ATOM 0 H LEU A 26 -7.868 15.387 -12.480 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.145 15.840 -12.759 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.685 15.121 -14.544 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.557 16.638 -14.452 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.480 17.835 -15.211 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.660 16.527 -16.240 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.798 16.201 -14.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.423 15.022 -15.673 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.678 17.064 -17.579 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.506 15.591 -17.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.274 17.181 -16.801 1.00 0.00 H new ATOM 424 N LYS A 27 -6.745 18.659 -12.224 1.00 0.00 N ATOM 425 CA LYS A 27 -6.557 20.071 -11.880 1.00 0.00 C ATOM 426 C LYS A 27 -5.701 20.259 -10.615 1.00 0.00 C ATOM 427 O LYS A 27 -5.098 21.317 -10.438 1.00 0.00 O ATOM 428 CB LYS A 27 -7.947 20.718 -11.731 1.00 0.00 C ATOM 429 CG LYS A 27 -7.900 22.253 -11.732 1.00 0.00 C ATOM 430 CD LYS A 27 -9.312 22.851 -11.682 1.00 0.00 C ATOM 431 CE LYS A 27 -9.234 24.384 -11.683 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.576 25.016 -11.636 1.00 0.00 N ATOM 0 H LYS A 27 -7.710 18.342 -12.131 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.003 20.563 -12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.588 20.380 -12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.403 20.375 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.324 22.602 -10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.385 22.603 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.892 22.508 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.830 22.506 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.648 24.716 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.708 24.718 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.473 26.051 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.128 24.721 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.069 24.719 -10.770 1.00 0.00 H new ATOM 446 N GLU A 28 -5.623 19.248 -9.747 1.00 0.00 N ATOM 447 CA GLU A 28 -5.049 19.334 -8.406 1.00 0.00 C ATOM 448 C GLU A 28 -3.785 18.472 -8.271 1.00 0.00 C ATOM 449 O GLU A 28 -2.910 18.786 -7.465 1.00 0.00 O ATOM 450 CB GLU A 28 -6.103 18.848 -7.388 1.00 0.00 C ATOM 451 CG GLU A 28 -7.443 19.608 -7.398 1.00 0.00 C ATOM 452 CD GLU A 28 -7.287 21.090 -7.010 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.945 21.386 -5.842 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.536 21.974 -7.858 1.00 0.00 O ATOM 0 H GLU A 28 -5.971 18.315 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.769 20.370 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.303 17.793 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.675 18.918 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.887 19.541 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.135 19.126 -6.707 1.00 0.00 H new ATOM 461 N VAL A 29 -3.667 17.392 -9.050 1.00 0.00 N ATOM 462 CA VAL A 29 -2.654 16.354 -8.874 1.00 0.00 C ATOM 463 C VAL A 29 -1.230 16.903 -8.902 1.00 0.00 C ATOM 464 O VAL A 29 -0.427 16.502 -8.062 1.00 0.00 O ATOM 465 CB VAL A 29 -2.934 15.192 -9.859 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.646 15.550 -11.319 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.174 13.907 -9.515 1.00 0.00 C ATOM 0 H VAL A 29 -4.289 17.214 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.730 15.939 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.003 15.012 -9.744 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.864 14.691 -11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.273 16.390 -11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.596 15.824 -11.426 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.416 13.135 -10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.102 14.102 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.463 13.569 -8.520 1.00 0.00 H new ATOM 477 N LYS A 30 -0.922 17.877 -9.766 1.00 0.00 N ATOM 478 CA LYS A 30 0.431 18.427 -9.865 1.00 0.00 C ATOM 479 C LYS A 30 0.881 19.115 -8.567 1.00 0.00 C ATOM 480 O LYS A 30 2.080 19.280 -8.350 1.00 0.00 O ATOM 481 CB LYS A 30 0.528 19.375 -11.077 1.00 0.00 C ATOM 482 CG LYS A 30 1.906 19.268 -11.749 1.00 0.00 C ATOM 483 CD LYS A 30 2.020 20.169 -12.985 1.00 0.00 C ATOM 484 CE LYS A 30 3.374 19.927 -13.668 1.00 0.00 C ATOM 485 NZ LYS A 30 3.555 20.757 -14.883 1.00 0.00 N ATOM 0 H LYS A 30 -1.594 18.300 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 30 1.119 17.596 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.252 19.131 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.355 20.402 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.680 19.539 -11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.088 18.233 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.207 19.958 -13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.928 21.216 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.176 20.142 -12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.459 18.874 -13.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.453 20.507 -15.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.769 20.584 -15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.570 21.762 -14.618 1.00 0.00 H new ATOM 499 N GLU A 31 -0.057 19.492 -7.693 1.00 0.00 N ATOM 500 CA GLU A 31 0.211 20.177 -6.432 1.00 0.00 C ATOM 501 C GLU A 31 0.088 19.230 -5.227 1.00 0.00 C ATOM 502 O GLU A 31 0.377 19.646 -4.103 1.00 0.00 O ATOM 503 CB GLU A 31 -0.795 21.332 -6.260 1.00 0.00 C ATOM 504 CG GLU A 31 -0.793 22.364 -7.401 1.00 0.00 C ATOM 505 CD GLU A 31 0.580 23.030 -7.608 1.00 0.00 C ATOM 506 OE1 GLU A 31 1.074 23.724 -6.691 1.00 0.00 O ATOM 507 OE2 GLU A 31 1.166 22.895 -8.706 1.00 0.00 O ATOM 0 H GLU A 31 -1.050 19.323 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 31 1.234 20.552 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.797 20.912 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.580 21.846 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.096 21.875 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.535 23.133 -7.189 1.00 0.00 H new ATOM 514 N ARG A 32 -0.340 17.974 -5.427 1.00 0.00 N ATOM 515 CA ARG A 32 -0.748 17.092 -4.326 1.00 0.00 C ATOM 516 C ARG A 32 -0.192 15.674 -4.426 1.00 0.00 C ATOM 517 O ARG A 32 -0.107 15.005 -3.396 1.00 0.00 O ATOM 518 CB ARG A 32 -2.291 17.128 -4.258 1.00 0.00 C ATOM 519 CG ARG A 32 -2.886 16.306 -3.104 1.00 0.00 C ATOM 520 CD ARG A 32 -4.378 16.608 -2.902 1.00 0.00 C ATOM 521 NE ARG A 32 -5.010 15.572 -2.060 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.082 14.827 -2.371 1.00 0.00 C ATOM 523 NH1 ARG A 32 -6.819 15.093 -3.446 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.415 13.797 -1.601 1.00 0.00 N ATOM 0 H ARG A 32 -0.412 17.545 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.317 17.460 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.616 18.164 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.695 16.757 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.754 15.243 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.343 16.524 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.496 17.586 -2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.879 16.654 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.587 15.405 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.573 15.876 -4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.630 14.514 -3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.857 13.575 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.229 13.228 -1.834 1.00 0.00 H new ATOM 538 N ILE A 33 0.217 15.198 -5.606 1.00 0.00 N ATOM 539 CA ILE A 33 0.672 13.816 -5.747 1.00 0.00 C ATOM 540 C ILE A 33 1.886 13.531 -4.859 1.00 0.00 C ATOM 541 O ILE A 33 1.922 12.478 -4.230 1.00 0.00 O ATOM 542 CB ILE A 33 0.877 13.434 -7.231 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.226 11.937 -7.394 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.909 14.298 -7.985 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.091 10.993 -6.985 1.00 0.00 C ATOM 0 H ILE A 33 0.242 15.744 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.117 13.158 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.088 13.638 -7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.489 11.745 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.108 11.711 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.985 13.956 -9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.591 15.340 -7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.881 14.209 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.408 9.960 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.158 11.156 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.786 11.191 -7.601 1.00 0.00 H new ATOM 557 N ALA A 34 2.826 14.475 -4.723 1.00 0.00 N ATOM 558 CA ALA A 34 3.991 14.293 -3.860 1.00 0.00 C ATOM 559 C ALA A 34 3.589 14.085 -2.393 1.00 0.00 C ATOM 560 O ALA A 34 4.243 13.327 -1.677 1.00 0.00 O ATOM 561 CB ALA A 34 4.927 15.499 -3.996 1.00 0.00 C ATOM 0 H ALA A 34 2.798 15.374 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 34 4.512 13.391 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.795 15.361 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.255 15.590 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.398 16.405 -3.702 1.00 0.00 H new ATOM 567 N THR A 35 2.517 14.740 -1.941 1.00 0.00 N ATOM 568 CA THR A 35 1.999 14.602 -0.587 1.00 0.00 C ATOM 569 C THR A 35 1.341 13.223 -0.424 1.00 0.00 C ATOM 570 O THR A 35 1.585 12.535 0.569 1.00 0.00 O ATOM 571 CB THR A 35 1.004 15.749 -0.311 1.00 0.00 C ATOM 572 OG1 THR A 35 1.501 16.974 -0.832 1.00 0.00 O ATOM 573 CG2 THR A 35 0.749 15.924 1.190 1.00 0.00 C ATOM 0 H THR A 35 1.980 15.389 -2.517 1.00 0.00 H new ATOM 0 HA THR A 35 2.808 14.669 0.140 1.00 0.00 H new ATOM 0 HB THR A 35 0.067 15.485 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.858 17.691 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.044 16.740 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.334 15.003 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.688 16.154 1.694 1.00 0.00 H new ATOM 581 N ALA A 36 0.527 12.803 -1.402 1.00 0.00 N ATOM 582 CA ALA A 36 -0.195 11.535 -1.351 1.00 0.00 C ATOM 583 C ALA A 36 0.734 10.325 -1.528 1.00 0.00 C ATOM 584 O ALA A 36 0.454 9.256 -0.985 1.00 0.00 O ATOM 585 CB ALA A 36 -1.273 11.530 -2.439 1.00 0.00 C ATOM 0 H ALA A 36 0.354 13.339 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.649 11.446 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.817 10.586 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.966 12.354 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.804 11.646 -3.416 1.00 0.00 H new ATOM 591 N VAL A 37 1.822 10.484 -2.283 1.00 0.00 N ATOM 592 CA VAL A 37 2.712 9.419 -2.725 1.00 0.00 C ATOM 593 C VAL A 37 4.150 9.932 -2.525 1.00 0.00 C ATOM 594 O VAL A 37 4.734 10.518 -3.440 1.00 0.00 O ATOM 595 CB VAL A 37 2.382 9.015 -4.184 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.261 7.840 -4.631 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.914 8.581 -4.352 1.00 0.00 C ATOM 0 H VAL A 37 2.117 11.402 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 37 2.587 8.504 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 37 2.570 9.900 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.014 7.571 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.311 8.128 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.084 6.984 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.732 8.308 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.713 7.723 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.257 9.405 -4.073 1.00 0.00 H new ATOM 607 N PRO A 38 4.729 9.765 -1.321 1.00 0.00 N ATOM 608 CA PRO A 38 6.041 10.312 -0.981 1.00 0.00 C ATOM 609 C PRO A 38 7.215 9.540 -1.612 1.00 0.00 C ATOM 610 O PRO A 38 8.368 9.932 -1.416 1.00 0.00 O ATOM 611 CB PRO A 38 6.095 10.284 0.552 1.00 0.00 C ATOM 612 CG PRO A 38 5.221 9.086 0.912 1.00 0.00 C ATOM 613 CD PRO A 38 4.128 9.131 -0.154 1.00 0.00 C ATOM 0 HA PRO A 38 6.154 11.319 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.115 10.162 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.710 11.207 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.781 8.152 0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.809 9.174 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.775 8.128 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.265 9.697 0.196 1.00 0.00 H new ATOM 621 N ASP A 39 6.962 8.457 -2.357 1.00 0.00 N ATOM 622 CA ASP A 39 7.987 7.608 -2.964 1.00 0.00 C ATOM 623 C ASP A 39 7.545 7.243 -4.379 1.00 0.00 C ATOM 624 O ASP A 39 6.538 6.557 -4.567 1.00 0.00 O ATOM 625 CB ASP A 39 8.204 6.349 -2.110 1.00 0.00 C ATOM 626 CG ASP A 39 9.221 5.363 -2.717 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.841 5.658 -3.763 1.00 0.00 O ATOM 628 OD2 ASP A 39 9.410 4.278 -2.122 1.00 0.00 O ATOM 0 H ASP A 39 6.013 8.141 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 39 8.936 8.142 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.545 6.646 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.249 5.839 -1.979 1.00 0.00 H new ATOM 633 N LYS A 40 8.296 7.714 -5.380 1.00 0.00 N ATOM 634 CA LYS A 40 7.988 7.522 -6.798 1.00 0.00 C ATOM 635 C LYS A 40 7.995 6.046 -7.215 1.00 0.00 C ATOM 636 O LYS A 40 7.490 5.740 -8.294 1.00 0.00 O ATOM 637 CB LYS A 40 8.968 8.325 -7.676 1.00 0.00 C ATOM 638 CG LYS A 40 8.972 9.832 -7.360 1.00 0.00 C ATOM 639 CD LYS A 40 9.912 10.599 -8.303 1.00 0.00 C ATOM 640 CE LYS A 40 10.084 12.066 -7.881 1.00 0.00 C ATOM 641 NZ LYS A 40 8.876 12.891 -8.131 1.00 0.00 N ATOM 0 H LYS A 40 9.150 8.249 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 40 6.974 7.892 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.975 7.929 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.708 8.181 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.960 10.227 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.283 9.988 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.886 10.110 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.518 10.558 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.330 12.106 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.928 12.496 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.952 13.786 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.797 13.092 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.031 12.374 -7.813 1.00 0.00 H new ATOM 655 N ASN A 41 8.561 5.139 -6.408 1.00 0.00 N ATOM 656 CA ASN A 41 8.538 3.700 -6.676 1.00 0.00 C ATOM 657 C ASN A 41 7.120 3.116 -6.602 1.00 0.00 C ATOM 658 O ASN A 41 6.869 2.048 -7.161 1.00 0.00 O ATOM 659 CB ASN A 41 9.445 2.969 -5.676 1.00 0.00 C ATOM 660 CG ASN A 41 9.509 1.468 -5.949 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.006 1.032 -6.984 1.00 0.00 O ATOM 662 ND2 ASN A 41 9.035 0.643 -5.028 1.00 0.00 N ATOM 0 H ASN A 41 9.049 5.387 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 41 8.903 3.554 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.450 3.389 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.078 3.138 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.081 -0.365 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.624 1.016 -4.172 1.00 0.00 H new ATOM 669 N ASP A 42 6.199 3.775 -5.891 1.00 0.00 N ATOM 670 CA ASP A 42 4.811 3.329 -5.776 1.00 0.00 C ATOM 671 C ASP A 42 4.136 3.264 -7.147 1.00 0.00 C ATOM 672 O ASP A 42 4.370 4.120 -8.001 1.00 0.00 O ATOM 673 CB ASP A 42 4.028 4.290 -4.891 1.00 0.00 C ATOM 674 CG ASP A 42 2.545 3.907 -4.847 1.00 0.00 C ATOM 675 OD1 ASP A 42 2.222 2.928 -4.143 1.00 0.00 O ATOM 676 OD2 ASP A 42 1.729 4.575 -5.515 1.00 0.00 O ATOM 0 H ASP A 42 6.398 4.634 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 42 4.818 2.332 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.441 4.280 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.134 5.307 -5.269 1.00 0.00 H new ATOM 681 N THR A 43 3.287 2.259 -7.344 1.00 0.00 N ATOM 682 CA THR A 43 2.548 2.073 -8.586 1.00 0.00 C ATOM 683 C THR A 43 1.366 3.052 -8.601 1.00 0.00 C ATOM 684 O THR A 43 0.324 2.789 -7.991 1.00 0.00 O ATOM 685 CB THR A 43 2.112 0.607 -8.767 1.00 0.00 C ATOM 686 OG1 THR A 43 3.137 -0.292 -8.382 1.00 0.00 O ATOM 687 CG2 THR A 43 1.754 0.323 -10.230 1.00 0.00 C ATOM 0 H THR A 43 3.092 1.547 -6.640 1.00 0.00 H new ATOM 0 HA THR A 43 3.190 2.292 -9.439 1.00 0.00 H new ATOM 0 HB THR A 43 1.240 0.458 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.181 -0.339 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.449 -0.718 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.935 0.974 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.623 0.511 -10.860 1.00 0.00 H new ATOM 695 N VAL A 44 1.538 4.188 -9.278 1.00 0.00 N ATOM 696 CA VAL A 44 0.541 5.245 -9.379 1.00 0.00 C ATOM 697 C VAL A 44 -0.502 4.783 -10.406 1.00 0.00 C ATOM 698 O VAL A 44 -0.343 5.016 -11.607 1.00 0.00 O ATOM 699 CB VAL A 44 1.208 6.600 -9.737 1.00 0.00 C ATOM 700 CG1 VAL A 44 0.253 7.767 -9.456 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.506 6.872 -8.957 1.00 0.00 C ATOM 0 H VAL A 44 2.398 4.400 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 44 0.042 5.421 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 44 1.448 6.526 -10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.741 8.707 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.650 7.651 -10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.012 7.774 -8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.916 7.836 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.292 6.887 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.230 6.086 -9.171 1.00 0.00 H new ATOM 711 N LYS A 45 -1.531 4.056 -9.960 1.00 0.00 N ATOM 712 CA LYS A 45 -2.569 3.513 -10.833 1.00 0.00 C ATOM 713 C LYS A 45 -3.596 4.608 -11.107 1.00 0.00 C ATOM 714 O LYS A 45 -4.547 4.769 -10.338 1.00 0.00 O ATOM 715 CB LYS A 45 -3.196 2.247 -10.226 1.00 0.00 C ATOM 716 CG LYS A 45 -2.238 1.052 -10.333 1.00 0.00 C ATOM 717 CD LYS A 45 -2.909 -0.235 -9.845 1.00 0.00 C ATOM 718 CE LYS A 45 -1.970 -1.432 -10.047 1.00 0.00 C ATOM 719 NZ LYS A 45 -2.599 -2.706 -9.621 1.00 0.00 N ATOM 0 H LYS A 45 -1.665 3.828 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.136 3.202 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.444 2.426 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.129 2.017 -10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.918 0.930 -11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.342 1.246 -9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.169 -0.141 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.839 -0.398 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.689 -1.500 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.052 -1.273 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.905 -3.477 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.921 -2.622 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.413 -2.914 -10.235 1.00 0.00 H new ATOM 733 N VAL A 46 -3.387 5.392 -12.162 1.00 0.00 N ATOM 734 CA VAL A 46 -4.282 6.483 -12.526 1.00 0.00 C ATOM 735 C VAL A 46 -5.461 5.939 -13.337 1.00 0.00 C ATOM 736 O VAL A 46 -5.285 5.088 -14.217 1.00 0.00 O ATOM 737 CB VAL A 46 -3.528 7.617 -13.257 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.544 8.306 -12.301 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.754 7.178 -14.511 1.00 0.00 C ATOM 0 H VAL A 46 -2.589 5.287 -12.789 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.683 6.930 -11.616 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.311 8.297 -13.591 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.020 9.102 -12.830 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.091 8.729 -11.458 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.821 7.577 -11.935 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.259 8.042 -14.954 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.007 6.433 -14.236 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.447 6.747 -15.234 1.00 0.00 H new ATOM 749 N TYR A 47 -6.661 6.455 -13.081 1.00 0.00 N ATOM 750 CA TYR A 47 -7.845 6.225 -13.902 1.00 0.00 C ATOM 751 C TYR A 47 -8.745 7.456 -13.811 1.00 0.00 C ATOM 752 O TYR A 47 -8.536 8.311 -12.950 1.00 0.00 O ATOM 753 CB TYR A 47 -8.587 4.952 -13.468 1.00 0.00 C ATOM 754 CG TYR A 47 -9.381 5.051 -12.178 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.743 4.893 -10.932 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.769 5.287 -12.232 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.492 4.953 -9.743 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.521 5.358 -11.049 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.888 5.178 -9.801 1.00 0.00 C ATOM 760 OH TYR A 47 -11.640 5.211 -8.666 1.00 0.00 O ATOM 0 H TYR A 47 -6.840 7.058 -12.278 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.546 6.071 -14.939 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.267 4.661 -14.269 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.858 4.149 -13.362 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.677 4.726 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.256 5.414 -13.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.003 4.828 -8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.583 5.550 -11.094 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.093 5.536 -7.921 1.00 0.00 H new ATOM 770 N CYS A 48 -9.757 7.553 -14.670 1.00 0.00 N ATOM 771 CA CYS A 48 -10.776 8.591 -14.592 1.00 0.00 C ATOM 772 C CYS A 48 -12.076 8.031 -15.163 1.00 0.00 C ATOM 773 O CYS A 48 -12.270 6.816 -15.143 1.00 0.00 O ATOM 774 CB CYS A 48 -10.275 9.867 -15.287 1.00 0.00 C ATOM 775 SG CYS A 48 -9.967 9.616 -17.052 1.00 0.00 S ATOM 0 H CYS A 48 -9.892 6.906 -15.447 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.980 8.883 -13.562 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.011 10.660 -15.159 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.357 10.203 -14.805 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.901 8.888 -17.207 1.00 0.00 H new ATOM 781 N ASN A 49 -12.975 8.879 -15.677 1.00 0.00 N ATOM 782 CA ASN A 49 -14.241 8.412 -16.242 1.00 0.00 C ATOM 783 C ASN A 49 -13.992 7.441 -17.403 1.00 0.00 C ATOM 784 O ASN A 49 -14.628 6.389 -17.455 1.00 0.00 O ATOM 785 CB ASN A 49 -15.098 9.606 -16.705 1.00 0.00 C ATOM 786 CG ASN A 49 -16.565 9.240 -16.959 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.465 9.941 -16.508 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.858 8.159 -17.664 1.00 0.00 N ATOM 0 H ASN A 49 -12.847 9.890 -15.712 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.787 7.878 -15.465 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.052 10.391 -15.950 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.670 10.018 -17.619 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.832 7.909 -17.832 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.109 7.576 -18.039 1.00 0.00 H new ATOM 795 N ALA A 50 -13.103 7.794 -18.339 1.00 0.00 N ATOM 796 CA ALA A 50 -12.910 7.046 -19.586 1.00 0.00 C ATOM 797 C ALA A 50 -11.448 6.942 -20.052 1.00 0.00 C ATOM 798 O ALA A 50 -11.134 6.005 -20.788 1.00 0.00 O ATOM 799 CB ALA A 50 -13.761 7.695 -20.686 1.00 0.00 C ATOM 0 H ALA A 50 -12.496 8.609 -18.252 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.223 6.021 -19.385 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.627 7.149 -21.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.812 7.668 -20.397 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.449 8.730 -20.824 1.00 0.00 H new ATOM 805 N GLY A 51 -10.553 7.852 -19.642 1.00 0.00 N ATOM 806 CA GLY A 51 -9.115 7.735 -19.912 1.00 0.00 C ATOM 807 C GLY A 51 -8.385 9.068 -20.093 1.00 0.00 C ATOM 808 O GLY A 51 -7.182 9.134 -19.843 1.00 0.00 O ATOM 0 H GLY A 51 -10.806 8.688 -19.115 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.649 7.190 -19.091 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.976 7.136 -20.812 1.00 0.00 H new ATOM 812 N ARG A 52 -9.065 10.145 -20.515 1.00 0.00 N ATOM 813 CA ARG A 52 -8.368 11.388 -20.880 1.00 0.00 C ATOM 814 C ARG A 52 -7.662 12.033 -19.709 1.00 0.00 C ATOM 815 O ARG A 52 -6.504 12.405 -19.878 1.00 0.00 O ATOM 816 CB ARG A 52 -9.288 12.398 -21.589 1.00 0.00 C ATOM 817 CG ARG A 52 -9.956 11.881 -22.876 1.00 0.00 C ATOM 818 CD ARG A 52 -8.949 11.441 -23.947 1.00 0.00 C ATOM 819 NE ARG A 52 -9.629 11.027 -25.188 1.00 0.00 N ATOM 820 CZ ARG A 52 -9.027 10.591 -26.303 1.00 0.00 C ATOM 821 NH1 ARG A 52 -7.700 10.499 -26.369 1.00 0.00 N ATOM 822 NH2 ARG A 52 -9.762 10.246 -27.356 1.00 0.00 N ATOM 0 H ARG A 52 -10.080 10.182 -20.611 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.601 11.086 -21.593 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.067 12.707 -20.893 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.707 13.287 -21.832 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.604 11.040 -22.628 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.593 12.664 -23.286 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.263 12.261 -24.162 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.349 10.615 -23.566 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.648 11.077 -25.199 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.130 10.762 -25.565 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.254 10.166 -27.223 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.779 10.314 -27.313 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.309 9.913 -28.207 1.00 0.00 H new ATOM 836 N GLN A 53 -8.292 12.150 -18.539 1.00 0.00 N ATOM 837 CA GLN A 53 -7.602 12.732 -17.387 1.00 0.00 C ATOM 838 C GLN A 53 -6.428 11.830 -16.986 1.00 0.00 C ATOM 839 O GLN A 53 -5.412 12.342 -16.533 1.00 0.00 O ATOM 840 CB GLN A 53 -8.515 13.008 -16.174 1.00 0.00 C ATOM 841 CG GLN A 53 -9.649 14.034 -16.358 1.00 0.00 C ATOM 842 CD GLN A 53 -10.884 13.409 -17.006 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.735 12.844 -16.329 1.00 0.00 O ATOM 844 NE2 GLN A 53 -10.995 13.464 -18.323 1.00 0.00 N ATOM 0 H GLN A 53 -9.254 11.858 -18.365 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.241 13.711 -17.703 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.963 12.063 -15.868 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.887 13.345 -15.350 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.920 14.453 -15.389 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.295 14.860 -16.974 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.280 13.937 -18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.795 13.033 -18.786 1.00 0.00 H new ATOM 853 N SER A 54 -6.537 10.514 -17.188 1.00 0.00 N ATOM 854 CA SER A 54 -5.488 9.549 -16.861 1.00 0.00 C ATOM 855 C SER A 54 -4.246 9.776 -17.723 1.00 0.00 C ATOM 856 O SER A 54 -3.142 9.882 -17.191 1.00 0.00 O ATOM 857 CB SER A 54 -5.986 8.112 -17.051 1.00 0.00 C ATOM 858 OG SER A 54 -7.336 7.962 -16.647 1.00 0.00 O ATOM 0 H SER A 54 -7.370 10.084 -17.590 1.00 0.00 H new ATOM 0 HA SER A 54 -5.224 9.697 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.887 7.829 -18.099 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.358 7.431 -16.477 1.00 0.00 H new ATOM 0 HG SER A 54 -7.666 7.084 -16.930 1.00 0.00 H new ATOM 864 N GLY A 55 -4.418 9.890 -19.045 1.00 0.00 N ATOM 865 CA GLY A 55 -3.308 10.121 -19.963 1.00 0.00 C ATOM 866 C GLY A 55 -2.688 11.493 -19.714 1.00 0.00 C ATOM 867 O GLY A 55 -1.467 11.629 -19.645 1.00 0.00 O ATOM 0 H GLY A 55 -5.327 9.824 -19.502 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.553 9.345 -19.834 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.660 10.055 -20.993 1.00 0.00 H new ATOM 871 N GLN A 56 -3.535 12.501 -19.497 1.00 0.00 N ATOM 872 CA GLN A 56 -3.107 13.852 -19.166 1.00 0.00 C ATOM 873 C GLN A 56 -2.293 13.859 -17.862 1.00 0.00 C ATOM 874 O GLN A 56 -1.246 14.504 -17.796 1.00 0.00 O ATOM 875 CB GLN A 56 -4.351 14.753 -19.084 1.00 0.00 C ATOM 876 CG GLN A 56 -4.592 15.619 -20.334 1.00 0.00 C ATOM 877 CD GLN A 56 -4.448 14.898 -21.679 1.00 0.00 C ATOM 878 OE1 GLN A 56 -3.637 15.284 -22.518 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.213 13.849 -21.933 1.00 0.00 N ATOM 0 H GLN A 56 -4.548 12.396 -19.548 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.447 14.241 -19.942 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.228 14.127 -18.916 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.255 15.407 -18.217 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.596 16.040 -20.274 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.894 16.456 -20.314 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.886 13.528 -21.237 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.130 13.361 -22.825 1.00 0.00 H new ATOM 888 N ALA A 57 -2.732 13.113 -16.842 1.00 0.00 N ATOM 889 CA ALA A 57 -2.006 12.979 -15.587 1.00 0.00 C ATOM 890 C ALA A 57 -0.675 12.261 -15.816 1.00 0.00 C ATOM 891 O ALA A 57 0.344 12.694 -15.287 1.00 0.00 O ATOM 892 CB ALA A 57 -2.859 12.252 -14.541 1.00 0.00 C ATOM 0 H ALA A 57 -3.605 12.586 -16.870 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.790 13.975 -15.202 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.297 12.163 -13.611 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.773 12.818 -14.360 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.114 11.258 -14.907 1.00 0.00 H new ATOM 898 N LYS A 58 -0.644 11.195 -16.624 1.00 0.00 N ATOM 899 CA LYS A 58 0.592 10.466 -16.907 1.00 0.00 C ATOM 900 C LYS A 58 1.654 11.391 -17.501 1.00 0.00 C ATOM 901 O LYS A 58 2.823 11.257 -17.140 1.00 0.00 O ATOM 902 CB LYS A 58 0.295 9.251 -17.804 1.00 0.00 C ATOM 903 CG LYS A 58 1.532 8.362 -18.008 1.00 0.00 C ATOM 904 CD LYS A 58 1.189 7.108 -18.823 1.00 0.00 C ATOM 905 CE LYS A 58 2.450 6.257 -19.027 1.00 0.00 C ATOM 906 NZ LYS A 58 2.196 5.064 -19.874 1.00 0.00 N ATOM 0 H LYS A 58 -1.467 10.819 -17.094 1.00 0.00 H new ATOM 0 HA LYS A 58 1.005 10.088 -15.972 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.505 8.660 -17.359 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.065 9.597 -18.773 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.310 8.929 -18.519 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.936 8.069 -17.039 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.426 6.525 -18.307 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.772 7.394 -19.789 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.227 6.868 -19.487 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.830 5.936 -18.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.077 4.522 -19.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.474 4.466 -19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.859 5.368 -20.810 1.00 0.00 H new ATOM 920 N GLU A 59 1.276 12.343 -18.359 1.00 0.00 N ATOM 921 CA GLU A 59 2.231 13.283 -18.937 1.00 0.00 C ATOM 922 C GLU A 59 2.886 14.133 -17.842 1.00 0.00 C ATOM 923 O GLU A 59 4.115 14.160 -17.753 1.00 0.00 O ATOM 924 CB GLU A 59 1.556 14.172 -19.997 1.00 0.00 C ATOM 925 CG GLU A 59 1.184 13.422 -21.285 1.00 0.00 C ATOM 926 CD GLU A 59 2.421 12.972 -22.085 1.00 0.00 C ATOM 927 OE1 GLU A 59 3.004 13.795 -22.827 1.00 0.00 O ATOM 928 OE2 GLU A 59 2.814 11.787 -21.997 1.00 0.00 O ATOM 0 H GLU A 59 0.313 12.480 -18.667 1.00 0.00 H new ATOM 0 HA GLU A 59 3.014 12.709 -19.433 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.655 14.611 -19.570 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.225 14.996 -20.247 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.582 12.549 -21.032 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.565 14.066 -21.910 1.00 0.00 H new ATOM 935 N ILE A 60 2.110 14.796 -16.975 1.00 0.00 N ATOM 936 CA ILE A 60 2.689 15.640 -15.936 1.00 0.00 C ATOM 937 C ILE A 60 3.406 14.808 -14.870 1.00 0.00 C ATOM 938 O ILE A 60 4.401 15.271 -14.323 1.00 0.00 O ATOM 939 CB ILE A 60 1.628 16.583 -15.337 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.471 15.808 -14.677 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.139 17.553 -16.432 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.616 16.683 -14.064 1.00 0.00 C ATOM 0 H ILE A 60 1.091 14.762 -16.976 1.00 0.00 H new ATOM 0 HA ILE A 60 3.451 16.270 -16.396 1.00 0.00 H new ATOM 0 HB ILE A 60 2.082 17.165 -14.535 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.016 15.157 -15.423 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.881 15.164 -13.899 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.388 18.224 -16.015 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.981 18.137 -16.803 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.702 16.985 -17.253 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.387 16.051 -13.624 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.181 17.316 -13.291 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.059 17.309 -14.839 1.00 0.00 H new ATOM 954 N LEU A 61 2.972 13.576 -14.597 1.00 0.00 N ATOM 955 CA LEU A 61 3.670 12.694 -13.668 1.00 0.00 C ATOM 956 C LEU A 61 5.028 12.294 -14.242 1.00 0.00 C ATOM 957 O LEU A 61 6.006 12.226 -13.497 1.00 0.00 O ATOM 958 CB LEU A 61 2.822 11.450 -13.363 1.00 0.00 C ATOM 959 CG LEU A 61 1.577 11.733 -12.502 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.658 10.506 -12.485 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.946 12.102 -11.066 1.00 0.00 C ATOM 0 H LEU A 61 2.134 13.167 -15.011 1.00 0.00 H new ATOM 0 HA LEU A 61 3.833 13.230 -12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.505 11.000 -14.304 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.445 10.716 -12.852 1.00 0.00 H new ATOM 0 HG LEU A 61 1.062 12.582 -12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.219 10.717 -11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.344 10.273 -13.502 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.195 9.655 -12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.038 12.293 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.496 11.279 -10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.568 12.997 -11.069 1.00 0.00 H new ATOM 973 N SER A 62 5.115 12.082 -15.556 1.00 0.00 N ATOM 974 CA SER A 62 6.382 11.822 -16.224 1.00 0.00 C ATOM 975 C SER A 62 7.281 13.065 -16.158 1.00 0.00 C ATOM 976 O SER A 62 8.481 12.934 -15.921 1.00 0.00 O ATOM 977 CB SER A 62 6.135 11.384 -17.673 1.00 0.00 C ATOM 978 OG SER A 62 5.259 10.270 -17.728 1.00 0.00 O ATOM 0 H SER A 62 4.309 12.087 -16.182 1.00 0.00 H new ATOM 0 HA SER A 62 6.898 11.010 -15.712 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.710 12.213 -18.239 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.083 11.128 -18.145 1.00 0.00 H new ATOM 0 HG SER A 62 4.335 10.575 -17.615 1.00 0.00 H new ATOM 984 N GLU A 63 6.718 14.272 -16.295 1.00 0.00 N ATOM 985 CA GLU A 63 7.463 15.522 -16.137 1.00 0.00 C ATOM 986 C GLU A 63 7.974 15.667 -14.693 1.00 0.00 C ATOM 987 O GLU A 63 9.117 16.072 -14.477 1.00 0.00 O ATOM 988 CB GLU A 63 6.577 16.705 -16.564 1.00 0.00 C ATOM 989 CG GLU A 63 7.348 18.031 -16.601 1.00 0.00 C ATOM 990 CD GLU A 63 6.466 19.182 -17.113 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.705 19.767 -16.310 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.541 19.523 -18.316 1.00 0.00 O ATOM 0 H GLU A 63 5.732 14.407 -16.519 1.00 0.00 H new ATOM 0 HA GLU A 63 8.341 15.511 -16.782 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.158 16.504 -17.550 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.738 16.795 -15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.714 18.268 -15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.222 17.927 -17.244 1.00 0.00 H new ATOM 999 N MET A 64 7.165 15.265 -13.706 1.00 0.00 N ATOM 1000 CA MET A 64 7.533 15.183 -12.291 1.00 0.00 C ATOM 1001 C MET A 64 8.437 13.972 -11.992 1.00 0.00 C ATOM 1002 O MET A 64 8.734 13.699 -10.826 1.00 0.00 O ATOM 1003 CB MET A 64 6.263 15.160 -11.420 1.00 0.00 C ATOM 1004 CG MET A 64 5.478 16.477 -11.476 1.00 0.00 C ATOM 1005 SD MET A 64 3.919 16.458 -10.544 1.00 0.00 S ATOM 1006 CE MET A 64 4.543 16.693 -8.857 1.00 0.00 C ATOM 0 H MET A 64 6.202 14.978 -13.879 1.00 0.00 H new ATOM 0 HA MET A 64 8.116 16.071 -12.045 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.618 14.344 -11.747 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.541 14.952 -10.387 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.108 17.279 -11.091 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.262 16.714 -12.518 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.707 16.705 -8.158 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.218 15.876 -8.602 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.080 17.640 -8.796 1.00 0.00 H new ATOM 1016 N GLY A 65 8.883 13.231 -13.010 1.00 0.00 N ATOM 1017 CA GLY A 65 9.909 12.208 -12.886 1.00 0.00 C ATOM 1018 C GLY A 65 9.426 10.902 -12.257 1.00 0.00 C ATOM 1019 O GLY A 65 10.270 10.092 -11.871 1.00 0.00 O ATOM 0 H GLY A 65 8.529 13.333 -13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.312 11.993 -13.876 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.729 12.604 -12.287 1.00 0.00 H new ATOM 1023 N TYR A 66 8.113 10.674 -12.124 1.00 0.00 N ATOM 1024 CA TYR A 66 7.617 9.356 -11.734 1.00 0.00 C ATOM 1025 C TYR A 66 7.862 8.385 -12.891 1.00 0.00 C ATOM 1026 O TYR A 66 7.780 8.761 -14.064 1.00 0.00 O ATOM 1027 CB TYR A 66 6.126 9.372 -11.369 1.00 0.00 C ATOM 1028 CG TYR A 66 5.774 10.136 -10.102 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.720 11.543 -10.114 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.480 9.440 -8.912 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.401 12.256 -8.946 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.155 10.145 -7.739 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.125 11.558 -7.749 1.00 0.00 C ATOM 1034 OH TYR A 66 4.861 12.239 -6.600 1.00 0.00 O ATOM 0 H TYR A 66 7.388 11.375 -12.279 1.00 0.00 H new ATOM 0 HA TYR A 66 8.154 9.040 -10.840 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.570 9.805 -12.201 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.785 8.343 -11.259 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.926 12.079 -11.029 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.504 8.360 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.367 13.335 -8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.928 9.607 -6.831 1.00 0.00 H new ATOM 0 HH TYR A 66 4.692 11.603 -5.874 1.00 0.00 H new ATOM 1044 N THR A 67 8.115 7.123 -12.552 1.00 0.00 N ATOM 1045 CA THR A 67 8.540 6.081 -13.487 1.00 0.00 C ATOM 1046 C THR A 67 7.723 4.788 -13.295 1.00 0.00 C ATOM 1047 O THR A 67 8.032 3.760 -13.900 1.00 0.00 O ATOM 1048 CB THR A 67 10.061 5.872 -13.309 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.406 5.879 -11.932 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.861 6.992 -13.983 1.00 0.00 C ATOM 0 H THR A 67 8.028 6.786 -11.593 1.00 0.00 H new ATOM 0 HA THR A 67 8.349 6.387 -14.515 1.00 0.00 H new ATOM 0 HB THR A 67 10.302 4.912 -13.766 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.372 5.744 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.927 6.815 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.637 7.008 -15.050 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.589 7.950 -13.540 1.00 0.00 H new ATOM 1058 N HIS A 68 6.665 4.839 -12.472 1.00 0.00 N ATOM 1059 CA HIS A 68 5.829 3.699 -12.089 1.00 0.00 C ATOM 1060 C HIS A 68 4.345 4.077 -12.193 1.00 0.00 C ATOM 1061 O HIS A 68 3.503 3.607 -11.426 1.00 0.00 O ATOM 1062 CB HIS A 68 6.214 3.225 -10.676 1.00 0.00 C ATOM 1063 CG HIS A 68 7.658 2.817 -10.518 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.151 1.532 -10.468 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.722 3.663 -10.354 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.480 1.604 -10.279 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.880 2.888 -10.207 1.00 0.00 N ATOM 0 H HIS A 68 6.359 5.711 -12.040 1.00 0.00 H new ATOM 0 HA HIS A 68 5.998 2.867 -12.772 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.997 4.025 -9.968 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.581 2.380 -10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.677 4.742 -10.340 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.136 0.750 -10.196 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.832 3.227 -10.073 1.00 0.00 H new ATOM 1075 N VAL A 69 4.025 4.979 -13.119 1.00 0.00 N ATOM 1076 CA VAL A 69 2.648 5.332 -13.432 1.00 0.00 C ATOM 1077 C VAL A 69 2.083 4.198 -14.291 1.00 0.00 C ATOM 1078 O VAL A 69 2.771 3.686 -15.178 1.00 0.00 O ATOM 1079 CB VAL A 69 2.580 6.696 -14.153 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.128 7.192 -14.244 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.414 7.779 -13.447 1.00 0.00 C ATOM 0 H VAL A 69 4.717 5.485 -13.672 1.00 0.00 H new ATOM 0 HA VAL A 69 2.054 5.444 -12.525 1.00 0.00 H new ATOM 0 HB VAL A 69 2.992 6.531 -15.149 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.104 8.154 -14.755 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.531 6.470 -14.801 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.718 7.304 -13.240 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.331 8.717 -13.995 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.044 7.918 -12.431 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.459 7.470 -13.414 1.00 0.00 H new ATOM 1091 N GLU A 70 0.829 3.824 -14.058 1.00 0.00 N ATOM 1092 CA GLU A 70 0.113 2.826 -14.836 1.00 0.00 C ATOM 1093 C GLU A 70 -1.297 3.370 -15.022 1.00 0.00 C ATOM 1094 O GLU A 70 -1.924 3.784 -14.047 1.00 0.00 O ATOM 1095 CB GLU A 70 0.074 1.485 -14.078 1.00 0.00 C ATOM 1096 CG GLU A 70 1.438 0.790 -13.921 1.00 0.00 C ATOM 1097 CD GLU A 70 2.125 0.408 -15.250 1.00 0.00 C ATOM 1098 OE1 GLU A 70 1.445 0.225 -16.286 1.00 0.00 O ATOM 1099 OE2 GLU A 70 3.363 0.223 -15.255 1.00 0.00 O ATOM 0 H GLU A 70 0.270 4.219 -13.302 1.00 0.00 H new ATOM 0 HA GLU A 70 0.599 2.642 -15.794 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.346 1.656 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.604 0.809 -14.599 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.103 1.447 -13.360 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.304 -0.112 -13.325 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.814 3.394 -16.252 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.226 3.692 -16.447 1.00 0.00 C ATOM 1108 C ASN A 71 -4.005 2.398 -16.236 1.00 0.00 C ATOM 1109 O ASN A 71 -3.925 1.493 -17.068 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.519 4.303 -17.823 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.026 4.401 -18.064 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.518 4.033 -19.125 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.800 4.867 -17.091 1.00 0.00 N ATOM 0 H ASN A 71 -1.287 3.215 -17.107 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.535 4.448 -15.725 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.070 5.294 -17.889 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.061 3.693 -18.602 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.810 4.920 -17.224 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.385 5.172 -16.211 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.745 2.305 -15.127 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.579 1.141 -14.842 1.00 0.00 C ATOM 1122 C ALA A 72 -6.714 1.002 -15.869 1.00 0.00 C ATOM 1123 O ALA A 72 -7.125 -0.118 -16.175 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.141 1.237 -13.421 1.00 0.00 C ATOM 0 H ALA A 72 -4.781 3.029 -14.410 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.959 0.248 -14.917 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.762 0.365 -13.216 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.319 1.273 -12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.743 2.141 -13.328 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.209 2.123 -16.404 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.262 2.177 -17.407 1.00 0.00 C ATOM 1132 C GLY A 73 -9.109 3.420 -17.171 1.00 0.00 C ATOM 1133 O GLY A 73 -8.580 4.482 -16.825 1.00 0.00 O ATOM 0 H GLY A 73 -6.871 3.047 -16.137 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.829 2.201 -18.407 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.882 1.283 -17.350 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.421 3.270 -17.320 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.420 4.247 -16.921 1.00 0.00 C ATOM 1139 C GLY A 74 -12.528 3.505 -16.179 1.00 0.00 C ATOM 1140 O GLY A 74 -12.608 2.279 -16.267 1.00 0.00 O ATOM 0 H GLY A 74 -10.829 2.434 -17.737 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.975 5.009 -16.281 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.822 4.760 -17.794 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.368 4.234 -15.443 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.344 3.699 -14.491 1.00 0.00 C ATOM 1146 C LEU A 75 -15.179 2.563 -15.088 1.00 0.00 C ATOM 1147 O LEU A 75 -15.312 1.506 -14.469 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.217 4.873 -13.989 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.199 4.594 -12.828 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.470 3.835 -13.227 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.516 3.897 -11.649 1.00 0.00 C ATOM 0 H LEU A 75 -13.388 5.252 -15.495 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.821 3.248 -13.647 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.550 5.677 -13.678 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.795 5.246 -14.834 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.525 5.587 -12.517 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.096 3.686 -12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.020 4.412 -13.971 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.199 2.867 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.245 3.722 -10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.103 2.944 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.713 4.528 -11.269 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.718 2.764 -16.295 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.562 1.771 -16.959 1.00 0.00 C ATOM 1165 C LYS A 76 -15.754 0.538 -17.379 1.00 0.00 C ATOM 1166 O LYS A 76 -16.263 -0.580 -17.309 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.254 2.437 -18.164 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.312 1.530 -18.817 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.032 2.195 -20.001 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.900 3.387 -19.565 1.00 0.00 C ATOM 1171 NZ LYS A 76 -20.648 3.980 -20.702 1.00 0.00 N ATOM 0 H LYS A 76 -15.581 3.618 -16.836 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.321 1.416 -16.262 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.726 3.364 -17.840 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.503 2.705 -18.907 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.833 0.613 -19.160 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.049 1.244 -18.067 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.294 2.533 -20.728 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.658 1.457 -20.503 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.604 3.061 -18.799 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.266 4.149 -19.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.219 4.780 -20.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.977 4.315 -21.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.273 3.261 -21.119 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.516 0.735 -17.839 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.685 -0.325 -18.408 1.00 0.00 C ATOM 1187 C ASP A 77 -13.060 -1.208 -17.324 1.00 0.00 C ATOM 1188 O ASP A 77 -12.938 -2.419 -17.514 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.573 0.293 -19.263 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.644 -0.790 -19.836 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.058 -1.516 -20.768 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.484 -0.896 -19.381 1.00 0.00 O ATOM 0 H ASP A 77 -14.058 1.647 -17.826 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.329 -0.954 -19.023 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.014 0.866 -20.079 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.993 0.991 -18.660 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.670 -0.614 -16.192 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.045 -1.306 -15.069 1.00 0.00 C ATOM 1199 C ILE A 78 -13.012 -2.376 -14.541 1.00 0.00 C ATOM 1200 O ILE A 78 -14.190 -2.097 -14.309 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.623 -0.253 -14.012 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.380 0.510 -14.526 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.320 -0.884 -12.643 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.095 1.816 -13.778 1.00 0.00 C ATOM 0 H ILE A 78 -12.785 0.387 -16.031 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.138 -1.833 -15.365 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.459 0.431 -13.870 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.509 -0.140 -14.445 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.515 0.732 -15.585 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.029 -0.104 -11.939 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.209 -1.394 -12.273 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.506 -1.602 -12.745 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.208 2.290 -14.199 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.948 2.487 -13.880 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.926 1.601 -12.723 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.508 -3.597 -14.326 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.305 -4.736 -13.869 1.00 0.00 C ATOM 1218 C ALA A 79 -13.517 -4.756 -12.345 1.00 0.00 C ATOM 1219 O ALA A 79 -14.353 -5.520 -11.859 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.622 -6.034 -14.320 1.00 0.00 C ATOM 0 H ALA A 79 -11.523 -3.822 -14.467 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.295 -4.642 -14.315 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.208 -6.889 -13.984 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.550 -6.048 -15.407 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.622 -6.088 -13.889 1.00 0.00 H new ATOM 1226 N MET A 80 -12.759 -3.954 -11.587 1.00 0.00 N ATOM 1227 CA MET A 80 -12.863 -3.876 -10.126 1.00 0.00 C ATOM 1228 C MET A 80 -14.260 -3.387 -9.705 1.00 0.00 C ATOM 1229 O MET A 80 -14.903 -2.669 -10.478 1.00 0.00 O ATOM 1230 CB MET A 80 -11.788 -2.926 -9.565 1.00 0.00 C ATOM 1231 CG MET A 80 -10.350 -3.404 -9.811 1.00 0.00 C ATOM 1232 SD MET A 80 -9.894 -4.977 -9.026 1.00 0.00 S ATOM 1233 CE MET A 80 -9.770 -4.455 -7.292 1.00 0.00 C ATOM 0 H MET A 80 -12.048 -3.334 -11.976 1.00 0.00 H new ATOM 0 HA MET A 80 -12.705 -4.875 -9.720 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.916 -1.941 -10.015 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.944 -2.809 -8.493 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.198 -3.499 -10.886 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.666 -2.632 -9.459 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.478 -5.306 -6.676 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.021 -3.668 -7.202 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.736 -4.078 -6.956 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.737 -3.730 -8.493 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.997 -3.220 -7.957 1.00 0.00 C ATOM 1245 C PRO A 81 -15.916 -1.722 -7.622 1.00 0.00 C ATOM 1246 O PRO A 81 -14.829 -1.152 -7.470 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.291 -4.079 -6.721 1.00 0.00 C ATOM 1248 CG PRO A 81 -14.910 -4.542 -6.262 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.131 -4.676 -7.566 1.00 0.00 C ATOM 0 HA PRO A 81 -16.802 -3.293 -8.688 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.798 -3.504 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.935 -4.924 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.447 -3.820 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.962 -5.489 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.075 -4.452 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.189 -5.693 -7.953 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.081 -1.078 -7.478 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.204 0.368 -7.296 1.00 0.00 C ATOM 1259 C LYS A 82 -18.166 0.691 -6.157 1.00 0.00 C ATOM 1260 O LYS A 82 -19.030 -0.125 -5.830 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.729 1.056 -8.572 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.857 0.962 -9.831 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.175 -0.256 -10.703 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.276 -0.253 -11.945 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.330 -1.549 -12.653 1.00 0.00 N ATOM 0 H LYS A 82 -17.980 -1.560 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.206 0.740 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.706 0.633 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.884 2.111 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.989 1.868 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.809 0.924 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.021 -1.173 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.223 -0.238 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.587 0.545 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.248 -0.040 -11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.660 -1.538 -13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.075 -2.314 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.293 -1.708 -13.013 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.060 1.907 -5.618 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.978 2.488 -4.642 1.00 0.00 C ATOM 1281 C VAL A 83 -19.124 3.989 -4.934 1.00 0.00 C ATOM 1282 O VAL A 83 -18.288 4.590 -5.620 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.491 2.223 -3.194 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.555 0.737 -2.812 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -17.068 2.740 -2.933 1.00 0.00 C ATOM 0 H VAL A 83 -17.298 2.540 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.957 2.016 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.185 2.783 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -18.203 0.609 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.584 0.386 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.924 0.160 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.786 2.524 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.372 2.247 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.036 3.817 -3.100 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.177 4.618 -4.406 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.324 6.077 -4.425 1.00 0.00 C ATOM 1297 C LYS A 84 -19.208 6.716 -3.587 1.00 0.00 C ATOM 1298 O LYS A 84 -18.641 6.065 -2.703 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.722 6.467 -3.902 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.763 6.704 -5.012 1.00 0.00 C ATOM 1301 CD LYS A 84 -22.948 5.586 -6.056 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.488 4.280 -5.457 1.00 0.00 C ATOM 1303 NZ LYS A 84 -23.796 3.278 -6.509 1.00 0.00 N ATOM 0 H LYS A 84 -20.951 4.132 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.234 6.447 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.084 5.680 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.634 7.372 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -23.727 6.885 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -22.491 7.618 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.631 5.932 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.991 5.388 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -22.754 3.867 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.388 4.490 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -23.995 2.359 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.628 3.588 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -22.981 3.184 -7.149 1.00 0.00 H new ATOM 1317 N GLY A 85 -18.892 7.982 -3.873 1.00 0.00 N ATOM 1318 CA GLY A 85 -17.946 8.768 -3.091 1.00 0.00 C ATOM 1319 C GLY A 85 -18.378 8.807 -1.628 1.00 0.00 C ATOM 1320 O GLY A 85 -19.573 9.057 -1.363 1.00 0.00 O ATOM 1321 OXT GLY A 85 -17.519 8.607 -0.746 1.00 0.00 O ATOM 0 H GLY A 85 -19.292 8.491 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.948 8.336 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.888 9.781 -3.488 1.00 0.00 H new TER 1325 GLY A 85