USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 670 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 64 THR OG1 : rot -79:sc= 0.222 USER MOD Set 1.2: A 76 GLN : amide:sc= -0.841 X(o=-0.62,f=-0.63) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -0.347 F(o=-13,f=-11) USER MOD Set 2.2: A 65 HIS :FLIP no HD1:sc= -10.4! C(o=-12!,f=-11!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.053 (180deg=-0.428) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0835 F(o=-0.64,f=-0.084) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.55 F(o=-3.1!,f=-1.5) USER MOD Single : A 13 HIS : no HD1:sc= -0.965 X(o=-0.97,f=-0.89) USER MOD Single : A 16 SER OG : rot 162:sc= -2.47! USER MOD Single : A 17 GLN : amide:sc= -0.617 X(o=-0.62,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 17:sc= 0.557 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.24 K(o=-3.2,f=-4.8!) USER MOD Single : A 26 HIS : no HE2:sc= -13.8! C(o=-14!,f=-15!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= -0.0885 (180deg=-0.354) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -66:sc= 1.31 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -21:sc= 0.217 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.706 F(o=-2.2,f=0.71) USER MOD Single : A 40 THR OG1 : rot 157:sc= 0.42 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= -1.41 (180deg=-1.76) USER MOD Single : A 46 SER OG : rot 180:sc= -2.24! USER MOD Single : A 47 TYR OH : rot 128:sc= -0.857! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.0021 (180deg=-0.116) USER MOD Single : A 54 GLN : amide:sc= 0.177 K(o=0.18,f=-2.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.42 K(o=-3.4,f=-6.5!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.209 F(o=-3.3,f=-0.21) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= -0.0111 (180deg=-0.161) USER MOD Single : A 72 GLN :FLIP amide:sc= -5.29! C(o=-7.6!,f=-5.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 110:sc=-0.00568 USER MOD Single : A 82 THR OG1 : rot -100:sc= 0.113 USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 0.00499 (180deg=0.000152) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -21.765 21.205 9.802 1.00 0.00 N ATOM 2 CA LEU A 1 -21.674 19.805 9.285 1.00 0.00 C ATOM 3 C LEU A 1 -22.879 18.977 9.749 1.00 0.00 C ATOM 4 O LEU A 1 -23.668 19.413 10.567 1.00 0.00 O ATOM 5 CB LEU A 1 -20.364 19.236 9.855 1.00 0.00 C ATOM 6 CG LEU A 1 -20.455 19.104 11.381 1.00 0.00 C ATOM 7 CD1 LEU A 1 -20.301 17.637 11.789 1.00 0.00 C ATOM 8 CD2 LEU A 1 -19.387 19.959 12.070 1.00 0.00 C ATOM 0 H1 LEU A 1 -20.828 21.515 10.130 1.00 0.00 H new ATOM 0 H2 LEU A 1 -22.092 21.835 9.042 1.00 0.00 H new ATOM 0 H3 LEU A 1 -22.438 21.240 10.594 1.00 0.00 H new ATOM 0 HA LEU A 1 -21.680 19.777 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -20.160 18.261 9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -19.532 19.888 9.589 1.00 0.00 H new ATOM 0 HG LEU A 1 -21.434 19.463 11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -20.367 17.552 12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -21.094 17.047 11.330 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -19.332 17.266 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -19.473 19.848 13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -18.397 19.633 11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -19.529 21.006 11.801 1.00 0.00 H new ATOM 22 N ASP A 2 -23.021 17.785 9.217 1.00 0.00 N ATOM 23 CA ASP A 2 -24.167 16.898 9.592 1.00 0.00 C ATOM 24 C ASP A 2 -25.507 17.657 9.520 1.00 0.00 C ATOM 25 O ASP A 2 -26.203 17.779 10.511 1.00 0.00 O ATOM 26 CB ASP A 2 -23.870 16.442 11.022 1.00 0.00 C ATOM 27 CG ASP A 2 -24.573 15.107 11.292 1.00 0.00 C ATOM 28 OD1 ASP A 2 -24.052 14.089 10.868 1.00 0.00 O ATOM 29 OD2 ASP A 2 -25.621 15.128 11.916 1.00 0.00 O ATOM 0 H ASP A 2 -22.382 17.385 8.530 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.264 16.054 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -22.795 16.334 11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.211 17.195 11.733 1.00 0.00 H new ATOM 34 N PRO A 3 -25.832 18.127 8.335 1.00 0.00 N ATOM 35 CA PRO A 3 -27.100 18.856 8.125 1.00 0.00 C ATOM 36 C PRO A 3 -28.212 17.824 7.866 1.00 0.00 C ATOM 37 O PRO A 3 -28.836 17.338 8.791 1.00 0.00 O ATOM 38 CB PRO A 3 -26.814 19.721 6.900 1.00 0.00 C ATOM 39 CG PRO A 3 -25.715 19.009 6.157 1.00 0.00 C ATOM 40 CD PRO A 3 -25.057 18.021 7.096 1.00 0.00 C ATOM 0 HA PRO A 3 -27.429 19.464 8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -27.703 19.829 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -26.505 20.725 7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.120 18.492 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -24.982 19.726 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -25.088 17.009 6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -24.008 18.267 7.261 1.00 0.00 H new ATOM 48 N VAL A 4 -28.421 17.436 6.627 1.00 0.00 N ATOM 49 CA VAL A 4 -29.435 16.382 6.325 1.00 0.00 C ATOM 50 C VAL A 4 -28.855 15.058 6.830 1.00 0.00 C ATOM 51 O VAL A 4 -29.437 14.364 7.640 1.00 0.00 O ATOM 52 CB VAL A 4 -29.559 16.383 4.794 1.00 0.00 C ATOM 53 CG1 VAL A 4 -30.123 15.086 4.204 1.00 0.00 C ATOM 54 CG2 VAL A 4 -30.502 17.517 4.376 1.00 0.00 C ATOM 0 H VAL A 4 -27.930 17.807 5.814 1.00 0.00 H new ATOM 0 HA VAL A 4 -30.409 16.540 6.788 1.00 0.00 H new ATOM 0 HB VAL A 4 -28.545 16.504 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -30.177 15.173 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -29.473 14.253 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -31.122 14.909 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -30.598 17.528 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -31.482 17.359 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -30.097 18.471 4.714 1.00 0.00 H new ATOM 64 N ASP A 5 -27.666 14.764 6.374 1.00 0.00 N ATOM 65 CA ASP A 5 -26.923 13.549 6.804 1.00 0.00 C ATOM 66 C ASP A 5 -25.439 13.834 6.525 1.00 0.00 C ATOM 67 O ASP A 5 -24.704 14.135 7.446 1.00 0.00 O ATOM 68 CB ASP A 5 -27.477 12.379 5.979 1.00 0.00 C ATOM 69 CG ASP A 5 -28.553 11.640 6.778 1.00 0.00 C ATOM 70 OD1 ASP A 5 -28.222 11.090 7.815 1.00 0.00 O ATOM 71 OD2 ASP A 5 -29.690 11.632 6.338 1.00 0.00 O ATOM 0 H ASP A 5 -27.165 15.339 5.697 1.00 0.00 H new ATOM 0 HA ASP A 5 -27.033 13.298 7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -27.897 12.749 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -26.671 11.693 5.718 1.00 0.00 H new ATOM 76 N PRO A 6 -25.052 13.825 5.260 1.00 0.00 N ATOM 77 CA PRO A 6 -23.675 14.178 4.893 1.00 0.00 C ATOM 78 C PRO A 6 -23.663 15.673 4.537 1.00 0.00 C ATOM 79 O PRO A 6 -24.637 16.366 4.766 1.00 0.00 O ATOM 80 CB PRO A 6 -23.404 13.310 3.670 1.00 0.00 C ATOM 81 CG PRO A 6 -24.760 13.024 3.082 1.00 0.00 C ATOM 82 CD PRO A 6 -25.823 13.487 4.059 1.00 0.00 C ATOM 0 HA PRO A 6 -22.929 14.017 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.765 13.827 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.892 12.388 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -24.874 13.539 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -24.868 11.958 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -26.372 14.348 3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.555 12.704 4.258 1.00 0.00 H new ATOM 90 N ASN A 7 -22.599 16.188 3.982 1.00 0.00 N ATOM 91 CA ASN A 7 -22.597 17.645 3.636 1.00 0.00 C ATOM 92 C ASN A 7 -23.447 17.905 2.384 1.00 0.00 C ATOM 93 O ASN A 7 -24.312 18.760 2.385 1.00 0.00 O ATOM 94 CB ASN A 7 -21.130 18.010 3.386 1.00 0.00 C ATOM 95 CG ASN A 7 -20.355 17.962 4.706 1.00 0.00 C ATOM 96 OD1 ASN A 7 -19.364 17.124 4.835 1.00 0.00 O flip ATOM 97 ND2 ASN A 7 -20.653 18.695 5.629 1.00 0.00 N flip ATOM 0 H ASN A 7 -21.745 15.678 3.755 1.00 0.00 H new ATOM 0 HA ASN A 7 -23.027 18.249 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -20.690 17.317 2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -21.062 19.006 2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.428 19.351 5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -20.128 18.654 6.503 1.00 0.00 H new ATOM 104 N ILE A 8 -23.211 17.172 1.323 1.00 0.00 N ATOM 105 CA ILE A 8 -24.014 17.374 0.070 1.00 0.00 C ATOM 106 C ILE A 8 -24.449 16.021 -0.527 1.00 0.00 C ATOM 107 O ILE A 8 -24.844 15.947 -1.677 1.00 0.00 O ATOM 108 CB ILE A 8 -23.098 18.138 -0.917 1.00 0.00 C ATOM 109 CG1 ILE A 8 -22.048 17.194 -1.538 1.00 0.00 C ATOM 110 CG2 ILE A 8 -22.397 19.303 -0.204 1.00 0.00 C ATOM 111 CD1 ILE A 8 -21.020 16.747 -0.493 1.00 0.00 C ATOM 0 H ILE A 8 -22.499 16.443 1.268 1.00 0.00 H new ATOM 0 HA ILE A 8 -24.926 17.934 0.276 1.00 0.00 H new ATOM 0 HB ILE A 8 -23.723 18.535 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -22.545 16.321 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -21.540 17.700 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -21.757 19.830 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -23.145 19.991 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -21.791 18.916 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.293 16.083 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.508 17.620 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -21.528 16.220 0.315 1.00 0.00 H new ATOM 123 N GLU A 9 -24.380 14.956 0.246 1.00 0.00 N ATOM 124 CA GLU A 9 -24.781 13.599 -0.261 1.00 0.00 C ATOM 125 C GLU A 9 -24.101 13.297 -1.606 1.00 0.00 C ATOM 126 O GLU A 9 -24.762 13.179 -2.617 1.00 0.00 O ATOM 127 CB GLU A 9 -26.305 13.654 -0.430 1.00 0.00 C ATOM 128 CG GLU A 9 -26.991 13.491 0.929 1.00 0.00 C ATOM 129 CD GLU A 9 -28.443 13.963 0.830 1.00 0.00 C ATOM 130 OE1 GLU A 9 -29.287 13.152 0.490 1.00 0.00 O ATOM 131 OE2 GLU A 9 -28.687 15.127 1.097 1.00 0.00 O ATOM 0 H GLU A 9 -24.060 14.970 1.214 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.479 12.810 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.595 14.603 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.632 12.866 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.958 12.447 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.461 14.068 1.687 1.00 0.00 H new ATOM 138 N PRO A 10 -22.794 13.194 -1.572 1.00 0.00 N ATOM 139 CA PRO A 10 -22.013 12.906 -2.798 1.00 0.00 C ATOM 140 C PRO A 10 -21.764 11.401 -2.977 1.00 0.00 C ATOM 141 O PRO A 10 -20.719 10.992 -3.453 1.00 0.00 O ATOM 142 CB PRO A 10 -20.702 13.608 -2.527 1.00 0.00 C ATOM 143 CG PRO A 10 -20.575 13.644 -1.027 1.00 0.00 C ATOM 144 CD PRO A 10 -21.924 13.357 -0.412 1.00 0.00 C ATOM 0 HA PRO A 10 -22.524 13.233 -3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.868 13.072 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.700 14.614 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.845 12.907 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.214 14.620 -0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -21.902 12.458 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -22.256 14.174 0.228 1.00 0.00 H new ATOM 152 N TRP A 11 -22.707 10.577 -2.617 1.00 0.00 N ATOM 153 CA TRP A 11 -22.519 9.106 -2.780 1.00 0.00 C ATOM 154 C TRP A 11 -23.346 8.638 -3.988 1.00 0.00 C ATOM 155 O TRP A 11 -24.058 7.662 -3.938 1.00 0.00 O ATOM 156 CB TRP A 11 -23.049 8.499 -1.473 1.00 0.00 C ATOM 157 CG TRP A 11 -22.259 9.006 -0.307 1.00 0.00 C ATOM 158 CD1 TRP A 11 -22.451 10.197 0.303 1.00 0.00 C ATOM 159 CD2 TRP A 11 -21.164 8.356 0.402 1.00 0.00 C ATOM 160 NE1 TRP A 11 -21.537 10.326 1.333 1.00 0.00 N ATOM 161 CE2 TRP A 11 -20.724 9.213 1.434 1.00 0.00 C ATOM 162 CE3 TRP A 11 -20.515 7.119 0.249 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -19.676 8.854 2.283 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -19.465 6.758 1.102 1.00 0.00 C ATOM 165 CH2 TRP A 11 -19.048 7.622 2.115 1.00 0.00 C ATOM 0 H TRP A 11 -23.602 10.858 -2.216 1.00 0.00 H new ATOM 0 HA TRP A 11 -21.485 8.813 -2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -24.101 8.754 -1.346 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -22.987 7.412 -1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -23.197 10.929 0.030 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -21.471 11.141 1.942 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -20.828 6.442 -0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -19.354 9.526 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -18.975 5.804 0.975 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -18.238 7.335 2.769 1.00 0.00 H new ATOM 176 N ASN A 12 -23.271 9.368 -5.071 1.00 0.00 N ATOM 177 CA ASN A 12 -24.061 9.019 -6.291 1.00 0.00 C ATOM 178 C ASN A 12 -23.279 9.446 -7.534 1.00 0.00 C ATOM 179 O ASN A 12 -23.502 10.504 -8.094 1.00 0.00 O ATOM 180 CB ASN A 12 -25.379 9.803 -6.166 1.00 0.00 C ATOM 181 CG ASN A 12 -25.144 11.141 -5.452 1.00 0.00 C ATOM 182 OD1 ASN A 12 -24.941 11.151 -4.160 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 -25.143 12.185 -6.076 1.00 0.00 N flip ATOM 0 H ASN A 12 -22.689 10.201 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 12 -24.253 7.950 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -25.798 9.981 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -26.109 9.212 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -25.301 12.177 -7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -24.984 13.068 -5.592 1.00 0.00 H new ATOM 190 N HIS A 13 -22.342 8.640 -7.947 1.00 0.00 N ATOM 191 CA HIS A 13 -21.506 8.993 -9.133 1.00 0.00 C ATOM 192 C HIS A 13 -21.733 8.010 -10.288 1.00 0.00 C ATOM 193 O HIS A 13 -22.259 6.933 -10.093 1.00 0.00 O ATOM 194 CB HIS A 13 -20.063 8.867 -8.632 1.00 0.00 C ATOM 195 CG HIS A 13 -19.742 9.963 -7.645 1.00 0.00 C ATOM 196 ND1 HIS A 13 -18.620 9.910 -6.832 1.00 0.00 N ATOM 197 CD2 HIS A 13 -20.373 11.143 -7.334 1.00 0.00 C ATOM 198 CE1 HIS A 13 -18.610 11.026 -6.081 1.00 0.00 C ATOM 199 NE2 HIS A 13 -19.657 11.811 -6.347 1.00 0.00 N ATOM 0 H HIS A 13 -22.116 7.745 -7.512 1.00 0.00 H new ATOM 0 HA HIS A 13 -21.748 9.985 -9.514 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.920 7.894 -8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -19.374 8.918 -9.475 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -21.287 11.498 -7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.848 11.259 -5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -19.883 12.708 -5.918 1.00 0.00 H new ATOM 207 N PRO A 14 -21.285 8.408 -11.454 1.00 0.00 N ATOM 208 CA PRO A 14 -21.386 7.544 -12.651 1.00 0.00 C ATOM 209 C PRO A 14 -20.204 6.562 -12.681 1.00 0.00 C ATOM 210 O PRO A 14 -20.189 5.613 -13.439 1.00 0.00 O ATOM 211 CB PRO A 14 -21.270 8.525 -13.811 1.00 0.00 C ATOM 212 CG PRO A 14 -20.509 9.694 -13.265 1.00 0.00 C ATOM 213 CD PRO A 14 -20.655 9.697 -11.762 1.00 0.00 C ATOM 0 HA PRO A 14 -22.302 6.954 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.748 8.075 -14.656 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -22.254 8.829 -14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.457 9.626 -13.544 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.890 10.625 -13.685 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.688 9.794 -11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -21.270 10.531 -11.424 1.00 0.00 H new ATOM 221 N GLY A 15 -19.195 6.818 -11.882 1.00 0.00 N ATOM 222 CA GLY A 15 -17.990 5.945 -11.880 1.00 0.00 C ATOM 223 C GLY A 15 -17.199 6.227 -13.161 1.00 0.00 C ATOM 224 O GLY A 15 -16.476 5.385 -13.654 1.00 0.00 O ATOM 0 H GLY A 15 -19.160 7.601 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.376 6.145 -11.002 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.280 4.895 -11.834 1.00 0.00 H new ATOM 228 N SER A 16 -17.365 7.407 -13.714 1.00 0.00 N ATOM 229 CA SER A 16 -16.662 7.762 -14.984 1.00 0.00 C ATOM 230 C SER A 16 -16.394 9.276 -15.084 1.00 0.00 C ATOM 231 O SER A 16 -15.900 9.748 -16.091 1.00 0.00 O ATOM 232 CB SER A 16 -17.653 7.347 -16.069 1.00 0.00 C ATOM 233 OG SER A 16 -17.852 5.943 -16.030 1.00 0.00 O ATOM 0 H SER A 16 -17.962 8.142 -13.335 1.00 0.00 H new ATOM 0 HA SER A 16 -15.690 7.275 -15.060 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.603 7.862 -15.923 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.278 7.643 -17.049 1.00 0.00 H new ATOM 0 HG SER A 16 -18.676 5.716 -16.509 1.00 0.00 H new ATOM 239 N GLN A 17 -16.718 10.043 -14.065 1.00 0.00 N ATOM 240 CA GLN A 17 -16.486 11.516 -14.134 1.00 0.00 C ATOM 241 C GLN A 17 -15.920 12.059 -12.804 1.00 0.00 C ATOM 242 O GLN A 17 -14.812 12.561 -12.783 1.00 0.00 O ATOM 243 CB GLN A 17 -17.854 12.127 -14.455 1.00 0.00 C ATOM 244 CG GLN A 17 -18.190 11.909 -15.935 1.00 0.00 C ATOM 245 CD GLN A 17 -19.590 11.299 -16.063 1.00 0.00 C ATOM 246 OE1 GLN A 17 -20.566 11.904 -15.668 1.00 0.00 O ATOM 247 NE2 GLN A 17 -19.730 10.117 -16.605 1.00 0.00 N ATOM 0 H GLN A 17 -17.131 9.709 -13.194 1.00 0.00 H new ATOM 0 HA GLN A 17 -15.746 11.773 -14.892 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -18.621 11.672 -13.828 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -17.848 13.193 -14.228 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -18.146 12.857 -16.471 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -17.452 11.249 -16.392 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -18.911 9.608 -16.937 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -20.658 9.704 -16.696 1.00 0.00 H new ATOM 256 N PRO A 18 -16.684 11.945 -11.728 1.00 0.00 N ATOM 257 CA PRO A 18 -16.209 12.439 -10.405 1.00 0.00 C ATOM 258 C PRO A 18 -15.042 11.582 -9.887 1.00 0.00 C ATOM 259 O PRO A 18 -14.377 11.944 -8.936 1.00 0.00 O ATOM 260 CB PRO A 18 -17.429 12.297 -9.500 1.00 0.00 C ATOM 261 CG PRO A 18 -18.239 11.223 -10.148 1.00 0.00 C ATOM 262 CD PRO A 18 -18.029 11.358 -11.633 1.00 0.00 C ATOM 0 HA PRO A 18 -15.835 13.462 -10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.143 12.023 -8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.986 13.231 -9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.925 10.239 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.294 11.328 -9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -18.084 10.393 -12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.782 12.000 -12.090 1.00 0.00 H new ATOM 270 N LYS A 19 -14.789 10.455 -10.510 1.00 0.00 N ATOM 271 CA LYS A 19 -13.660 9.578 -10.076 1.00 0.00 C ATOM 272 C LYS A 19 -12.907 9.041 -11.307 1.00 0.00 C ATOM 273 O LYS A 19 -12.197 8.056 -11.224 1.00 0.00 O ATOM 274 CB LYS A 19 -14.315 8.434 -9.292 1.00 0.00 C ATOM 275 CG LYS A 19 -15.233 7.617 -10.211 1.00 0.00 C ATOM 276 CD LYS A 19 -15.251 6.157 -9.750 1.00 0.00 C ATOM 277 CE LYS A 19 -14.542 5.278 -10.786 1.00 0.00 C ATOM 278 NZ LYS A 19 -14.739 3.887 -10.284 1.00 0.00 N ATOM 0 H LYS A 19 -15.322 10.105 -11.306 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.930 10.112 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.546 7.788 -8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.889 8.837 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.243 8.028 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.883 7.680 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.757 6.065 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.279 5.821 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.972 5.407 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.484 5.528 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.284 3.215 -10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.314 3.795 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.756 3.679 -10.228 1.00 0.00 H new ATOM 292 N THR A 20 -13.063 9.681 -12.449 1.00 0.00 N ATOM 293 CA THR A 20 -12.367 9.205 -13.687 1.00 0.00 C ATOM 294 C THR A 20 -12.124 10.362 -14.678 1.00 0.00 C ATOM 295 O THR A 20 -11.105 10.399 -15.343 1.00 0.00 O ATOM 296 CB THR A 20 -13.322 8.173 -14.299 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.217 6.949 -13.584 1.00 0.00 O ATOM 298 CG2 THR A 20 -12.963 7.934 -15.769 1.00 0.00 C ATOM 0 H THR A 20 -13.643 10.511 -12.573 1.00 0.00 H new ATOM 0 HA THR A 20 -11.386 8.788 -13.460 1.00 0.00 H new ATOM 0 HB THR A 20 -14.343 8.550 -14.236 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.787 7.111 -12.719 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.646 7.200 -16.196 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.046 8.870 -16.321 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.941 7.562 -15.838 1.00 0.00 H new ATOM 306 N ALA A 21 -13.058 11.282 -14.808 1.00 0.00 N ATOM 307 CA ALA A 21 -12.883 12.411 -15.784 1.00 0.00 C ATOM 308 C ALA A 21 -11.866 13.450 -15.279 1.00 0.00 C ATOM 309 O ALA A 21 -12.188 14.616 -15.127 1.00 0.00 O ATOM 310 CB ALA A 21 -14.269 13.046 -15.922 1.00 0.00 C ATOM 0 H ALA A 21 -13.931 11.299 -14.281 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.496 12.048 -16.736 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.219 13.880 -16.621 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.974 12.303 -16.294 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.602 13.408 -14.949 1.00 0.00 H new ATOM 316 N SER A 22 -10.636 13.040 -15.040 1.00 0.00 N ATOM 317 CA SER A 22 -9.580 13.999 -14.566 1.00 0.00 C ATOM 318 C SER A 22 -10.115 14.884 -13.429 1.00 0.00 C ATOM 319 O SER A 22 -9.836 16.067 -13.358 1.00 0.00 O ATOM 320 CB SER A 22 -9.242 14.831 -15.803 1.00 0.00 C ATOM 321 OG SER A 22 -7.834 14.852 -15.992 1.00 0.00 O ATOM 0 H SER A 22 -10.318 12.077 -15.154 1.00 0.00 H new ATOM 0 HA SER A 22 -8.705 13.491 -14.160 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.731 14.410 -16.682 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.619 15.847 -15.685 1.00 0.00 H new ATOM 0 HG SER A 22 -7.618 15.384 -16.786 1.00 0.00 H new ATOM 327 N ASN A 23 -10.886 14.307 -12.548 1.00 0.00 N ATOM 328 CA ASN A 23 -11.466 15.073 -11.407 1.00 0.00 C ATOM 329 C ASN A 23 -10.412 15.293 -10.309 1.00 0.00 C ATOM 330 O ASN A 23 -9.226 15.339 -10.573 1.00 0.00 O ATOM 331 CB ASN A 23 -12.615 14.183 -10.904 1.00 0.00 C ATOM 332 CG ASN A 23 -12.053 12.950 -10.177 1.00 0.00 C ATOM 333 OD1 ASN A 23 -11.891 12.962 -8.973 1.00 0.00 O ATOM 334 ND2 ASN A 23 -11.750 11.879 -10.859 1.00 0.00 N ATOM 0 H ASN A 23 -11.143 13.320 -12.571 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.808 16.067 -11.696 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.256 14.751 -10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.235 13.868 -11.743 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.379 11.058 -10.381 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.884 11.863 -11.870 1.00 0.00 H new ATOM 341 N ARG A 24 -10.858 15.423 -9.081 1.00 0.00 N ATOM 342 CA ARG A 24 -9.938 15.631 -7.919 1.00 0.00 C ATOM 343 C ARG A 24 -8.690 14.740 -8.031 1.00 0.00 C ATOM 344 O ARG A 24 -7.606 15.219 -8.311 1.00 0.00 O ATOM 345 CB ARG A 24 -10.769 15.216 -6.697 1.00 0.00 C ATOM 346 CG ARG A 24 -11.885 16.230 -6.434 1.00 0.00 C ATOM 347 CD ARG A 24 -13.200 15.489 -6.153 1.00 0.00 C ATOM 348 NE ARG A 24 -12.851 14.475 -5.111 1.00 0.00 N ATOM 349 CZ ARG A 24 -13.183 14.665 -3.857 1.00 0.00 C ATOM 350 NH1 ARG A 24 -13.093 15.859 -3.323 1.00 0.00 N ATOM 351 NH2 ARG A 24 -13.599 13.657 -3.136 1.00 0.00 N ATOM 0 H ARG A 24 -11.847 15.393 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.580 16.659 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.199 14.228 -6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.125 15.141 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.623 16.862 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.003 16.887 -7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.971 16.172 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.587 15.013 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.350 13.628 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.764 16.645 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.352 16.002 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.664 12.727 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.858 13.801 -2.160 1.00 0.00 H new ATOM 365 N ALA A 25 -8.843 13.450 -7.808 1.00 0.00 N ATOM 366 CA ALA A 25 -7.681 12.504 -7.895 1.00 0.00 C ATOM 367 C ALA A 25 -6.649 12.781 -6.785 1.00 0.00 C ATOM 368 O ALA A 25 -5.460 12.851 -7.039 1.00 0.00 O ATOM 369 CB ALA A 25 -7.074 12.744 -9.279 1.00 0.00 C ATOM 0 H ALA A 25 -9.732 13.011 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.994 11.469 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.216 12.087 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.820 12.534 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.753 13.782 -9.360 1.00 0.00 H new ATOM 375 N HIS A 26 -7.091 12.917 -5.554 1.00 0.00 N ATOM 376 CA HIS A 26 -6.127 13.165 -4.429 1.00 0.00 C ATOM 377 C HIS A 26 -6.791 12.924 -3.060 1.00 0.00 C ATOM 378 O HIS A 26 -6.305 12.137 -2.269 1.00 0.00 O ATOM 379 CB HIS A 26 -5.613 14.622 -4.560 1.00 0.00 C ATOM 380 CG HIS A 26 -6.641 15.580 -5.128 1.00 0.00 C ATOM 381 ND1 HIS A 26 -6.288 16.835 -5.608 1.00 0.00 N ATOM 382 CD2 HIS A 26 -8.001 15.502 -5.281 1.00 0.00 C ATOM 383 CE1 HIS A 26 -7.418 17.446 -6.016 1.00 0.00 C ATOM 384 NE2 HIS A 26 -8.484 16.680 -5.833 1.00 0.00 N ATOM 0 H HIS A 26 -8.072 12.867 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.291 12.468 -4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.301 14.978 -3.578 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.729 14.631 -5.198 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -5.346 17.223 -5.645 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.607 14.650 -5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.451 18.439 -6.440 1.00 0.00 H new ATOM 392 N ALA A 27 -7.896 13.572 -2.774 1.00 0.00 N ATOM 393 CA ALA A 27 -8.581 13.358 -1.461 1.00 0.00 C ATOM 394 C ALA A 27 -9.712 12.328 -1.607 1.00 0.00 C ATOM 395 O ALA A 27 -10.339 11.955 -0.636 1.00 0.00 O ATOM 396 CB ALA A 27 -9.152 14.727 -1.084 1.00 0.00 C ATOM 0 H ALA A 27 -8.353 14.240 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.900 12.974 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.672 14.654 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.340 15.449 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.851 15.054 -1.854 1.00 0.00 H new ATOM 402 N LYS A 28 -9.971 11.860 -2.807 1.00 0.00 N ATOM 403 CA LYS A 28 -11.056 10.849 -3.015 1.00 0.00 C ATOM 404 C LYS A 28 -10.562 9.454 -2.611 1.00 0.00 C ATOM 405 O LYS A 28 -11.316 8.640 -2.113 1.00 0.00 O ATOM 406 CB LYS A 28 -11.359 10.913 -4.515 1.00 0.00 C ATOM 407 CG LYS A 28 -12.161 9.684 -4.963 1.00 0.00 C ATOM 408 CD LYS A 28 -11.999 9.495 -6.475 1.00 0.00 C ATOM 409 CE LYS A 28 -10.722 8.694 -6.763 1.00 0.00 C ATOM 410 NZ LYS A 28 -10.418 8.957 -8.203 1.00 0.00 N ATOM 0 H LYS A 28 -9.475 12.137 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.942 11.050 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.920 11.820 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.427 10.969 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.813 8.796 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.214 9.812 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.866 8.974 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.950 10.465 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.901 9.015 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.873 7.630 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.556 8.442 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.214 8.635 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.272 9.977 -8.346 1.00 0.00 H new ATOM 424 N LYS A 29 -9.299 9.182 -2.822 1.00 0.00 N ATOM 425 CA LYS A 29 -8.733 7.851 -2.458 1.00 0.00 C ATOM 426 C LYS A 29 -7.568 8.016 -1.465 1.00 0.00 C ATOM 427 O LYS A 29 -6.652 7.215 -1.430 1.00 0.00 O ATOM 428 CB LYS A 29 -8.259 7.247 -3.795 1.00 0.00 C ATOM 429 CG LYS A 29 -6.831 7.703 -4.145 1.00 0.00 C ATOM 430 CD LYS A 29 -6.806 9.204 -4.455 1.00 0.00 C ATOM 431 CE LYS A 29 -5.527 9.553 -5.225 1.00 0.00 C ATOM 432 NZ LYS A 29 -4.545 9.934 -4.166 1.00 0.00 N ATOM 0 H LYS A 29 -8.631 9.833 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.459 7.206 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.290 6.159 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.942 7.542 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.160 7.486 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.465 7.142 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.682 9.478 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.852 9.777 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.171 8.704 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.695 10.373 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.693 10.332 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.971 10.643 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.286 9.092 -3.614 1.00 0.00 H new ATOM 446 N SER A 30 -7.596 9.052 -0.659 1.00 0.00 N ATOM 447 CA SER A 30 -6.486 9.280 0.326 1.00 0.00 C ATOM 448 C SER A 30 -6.547 8.287 1.508 1.00 0.00 C ATOM 449 O SER A 30 -6.418 8.680 2.654 1.00 0.00 O ATOM 450 CB SER A 30 -6.691 10.719 0.812 1.00 0.00 C ATOM 451 OG SER A 30 -5.445 11.268 1.214 1.00 0.00 O ATOM 0 H SER A 30 -8.339 9.750 -0.640 1.00 0.00 H new ATOM 0 HA SER A 30 -5.508 9.125 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.127 11.324 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.393 10.735 1.646 1.00 0.00 H new ATOM 0 HG SER A 30 -5.578 12.189 1.523 1.00 0.00 H new ATOM 457 N ALA A 31 -6.718 7.007 1.229 1.00 0.00 N ATOM 458 CA ALA A 31 -6.770 5.959 2.307 1.00 0.00 C ATOM 459 C ALA A 31 -7.495 6.474 3.557 1.00 0.00 C ATOM 460 O ALA A 31 -6.883 6.741 4.577 1.00 0.00 O ATOM 461 CB ALA A 31 -5.303 5.644 2.616 1.00 0.00 C ATOM 0 H ALA A 31 -6.825 6.641 0.283 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.324 5.077 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.250 4.885 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.813 5.274 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.800 6.549 2.956 1.00 0.00 H new ATOM 467 N TYR A 32 -8.794 6.618 3.490 1.00 0.00 N ATOM 468 CA TYR A 32 -9.552 7.119 4.669 1.00 0.00 C ATOM 469 C TYR A 32 -11.011 6.645 4.577 1.00 0.00 C ATOM 470 O TYR A 32 -11.940 7.387 4.840 1.00 0.00 O ATOM 471 CB TYR A 32 -9.414 8.651 4.591 1.00 0.00 C ATOM 472 CG TYR A 32 -10.221 9.226 3.446 1.00 0.00 C ATOM 473 CD1 TYR A 32 -9.959 8.861 2.114 1.00 0.00 C ATOM 474 CD2 TYR A 32 -11.240 10.132 3.734 1.00 0.00 C ATOM 475 CE1 TYR A 32 -10.727 9.407 1.080 1.00 0.00 C ATOM 476 CE2 TYR A 32 -12.008 10.677 2.699 1.00 0.00 C ATOM 477 CZ TYR A 32 -11.753 10.314 1.372 1.00 0.00 C ATOM 478 OH TYR A 32 -12.515 10.847 0.353 1.00 0.00 O ATOM 0 H TYR A 32 -9.360 6.409 2.668 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.181 6.749 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.746 9.095 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.364 8.916 4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.167 8.161 1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.437 10.414 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.528 9.129 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.798 11.378 2.925 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.954 11.420 -0.210 1.00 0.00 H new ATOM 488 N HIS A 33 -11.198 5.396 4.190 1.00 0.00 N ATOM 489 CA HIS A 33 -12.570 4.801 4.045 1.00 0.00 C ATOM 490 C HIS A 33 -13.357 5.478 2.902 1.00 0.00 C ATOM 491 O HIS A 33 -14.511 5.164 2.674 1.00 0.00 O ATOM 492 CB HIS A 33 -13.271 5.012 5.394 1.00 0.00 C ATOM 493 CG HIS A 33 -12.557 4.240 6.472 1.00 0.00 C ATOM 494 ND1 HIS A 33 -12.872 2.924 6.770 1.00 0.00 N ATOM 495 CD2 HIS A 33 -11.545 4.587 7.332 1.00 0.00 C ATOM 496 CE1 HIS A 33 -12.064 2.531 7.772 1.00 0.00 C ATOM 497 NE2 HIS A 33 -11.236 3.507 8.152 1.00 0.00 N ATOM 0 H HIS A 33 -10.438 4.754 3.965 1.00 0.00 H new ATOM 0 HA HIS A 33 -12.512 3.743 3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -13.285 6.073 5.644 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -14.309 4.686 5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.062 5.552 7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.083 1.546 8.215 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.529 3.469 8.886 1.00 0.00 H new ATOM 505 N SER A 34 -12.738 6.389 2.179 1.00 0.00 N ATOM 506 CA SER A 34 -13.421 7.088 1.045 1.00 0.00 C ATOM 507 C SER A 34 -14.766 7.705 1.481 1.00 0.00 C ATOM 508 O SER A 34 -15.829 7.189 1.179 1.00 0.00 O ATOM 509 CB SER A 34 -13.632 6.013 -0.028 1.00 0.00 C ATOM 510 OG SER A 34 -12.847 6.325 -1.172 1.00 0.00 O ATOM 0 H SER A 34 -11.772 6.679 2.333 1.00 0.00 H new ATOM 0 HA SER A 34 -12.822 7.920 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.352 5.034 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.686 5.958 -0.301 1.00 0.00 H new ATOM 0 HG SER A 34 -12.621 7.279 -1.164 1.00 0.00 H new ATOM 516 N GLN A 35 -14.721 8.815 2.175 1.00 0.00 N ATOM 517 CA GLN A 35 -15.981 9.492 2.622 1.00 0.00 C ATOM 518 C GLN A 35 -16.410 10.534 1.586 1.00 0.00 C ATOM 519 O GLN A 35 -17.570 10.628 1.234 1.00 0.00 O ATOM 520 CB GLN A 35 -15.627 10.182 3.943 1.00 0.00 C ATOM 521 CG GLN A 35 -15.227 9.148 5.003 1.00 0.00 C ATOM 522 CD GLN A 35 -16.181 7.954 4.983 1.00 0.00 C ATOM 523 OE1 GLN A 35 -15.729 6.791 4.611 1.00 0.00 O flip ATOM 524 NE2 GLN A 35 -17.345 8.079 5.311 1.00 0.00 N flip ATOM 0 H GLN A 35 -13.860 9.286 2.454 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.803 8.786 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.808 10.884 3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.480 10.762 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.208 8.808 4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.236 9.610 5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.698 8.991 5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.969 7.272 5.295 1.00 0.00 H new ATOM 533 N VAL A 36 -15.471 11.315 1.099 1.00 0.00 N ATOM 534 CA VAL A 36 -15.789 12.367 0.082 1.00 0.00 C ATOM 535 C VAL A 36 -16.874 13.314 0.608 1.00 0.00 C ATOM 536 O VAL A 36 -17.968 13.368 0.084 1.00 0.00 O ATOM 537 CB VAL A 36 -16.270 11.606 -1.166 1.00 0.00 C ATOM 538 CG1 VAL A 36 -16.478 12.567 -2.340 1.00 0.00 C ATOM 539 CG2 VAL A 36 -15.318 10.503 -1.644 1.00 0.00 C ATOM 0 H VAL A 36 -14.488 11.266 1.367 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.923 12.988 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.202 11.135 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.818 12.008 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.227 13.312 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.537 13.066 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.736 10.020 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.351 10.940 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.190 9.765 -0.853 1.00 0.00 H new ATOM 549 N ALA A 37 -16.565 14.065 1.644 1.00 0.00 N ATOM 550 CA ALA A 37 -17.556 15.027 2.229 1.00 0.00 C ATOM 551 C ALA A 37 -18.845 14.301 2.642 1.00 0.00 C ATOM 552 O ALA A 37 -19.736 14.086 1.840 1.00 0.00 O ATOM 553 CB ALA A 37 -17.834 16.052 1.123 1.00 0.00 C ATOM 0 H ALA A 37 -15.659 14.051 2.112 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.171 15.504 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.553 16.789 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.906 16.554 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.241 15.543 0.249 1.00 0.00 H new ATOM 559 N PHE A 38 -18.953 13.930 3.892 1.00 0.00 N ATOM 560 CA PHE A 38 -20.181 13.225 4.362 1.00 0.00 C ATOM 561 C PHE A 38 -20.632 13.782 5.736 1.00 0.00 C ATOM 562 O PHE A 38 -20.574 14.977 5.952 1.00 0.00 O ATOM 563 CB PHE A 38 -19.802 11.726 4.374 1.00 0.00 C ATOM 564 CG PHE A 38 -18.956 11.335 5.563 1.00 0.00 C ATOM 565 CD1 PHE A 38 -17.719 11.947 5.793 1.00 0.00 C ATOM 566 CD2 PHE A 38 -19.412 10.336 6.430 1.00 0.00 C ATOM 567 CE1 PHE A 38 -16.944 11.560 6.884 1.00 0.00 C ATOM 568 CE2 PHE A 38 -18.636 9.952 7.523 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.403 10.565 7.749 1.00 0.00 C ATOM 0 H PHE A 38 -18.243 14.085 4.607 1.00 0.00 H new ATOM 0 HA PHE A 38 -21.046 13.378 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -20.713 11.128 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -19.262 11.487 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.365 12.719 5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -20.366 9.862 6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.988 12.030 7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.988 9.182 8.193 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.802 10.269 8.596 1.00 0.00 H new ATOM 579 N ILE A 39 -21.127 12.966 6.642 1.00 0.00 N ATOM 580 CA ILE A 39 -21.623 13.519 7.957 1.00 0.00 C ATOM 581 C ILE A 39 -20.519 14.236 8.756 1.00 0.00 C ATOM 582 O ILE A 39 -20.789 15.222 9.417 1.00 0.00 O ATOM 583 CB ILE A 39 -22.182 12.326 8.755 1.00 0.00 C ATOM 584 CG1 ILE A 39 -21.115 11.241 8.934 1.00 0.00 C ATOM 585 CG2 ILE A 39 -23.394 11.741 8.023 1.00 0.00 C ATOM 586 CD1 ILE A 39 -20.948 10.924 10.423 1.00 0.00 C ATOM 0 H ILE A 39 -21.210 11.955 6.535 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.387 14.274 7.771 1.00 0.00 H new ATOM 0 HB ILE A 39 -22.483 12.680 9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.403 10.341 8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.167 11.577 8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -23.788 10.897 8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.165 12.506 7.927 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.092 11.404 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.189 10.152 10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.641 11.825 10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -21.896 10.569 10.828 1.00 0.00 H new ATOM 598 N THR A 40 -19.293 13.770 8.719 1.00 0.00 N ATOM 599 CA THR A 40 -18.216 14.459 9.498 1.00 0.00 C ATOM 600 C THR A 40 -17.128 14.990 8.555 1.00 0.00 C ATOM 601 O THR A 40 -16.763 14.351 7.588 1.00 0.00 O ATOM 602 CB THR A 40 -17.658 13.388 10.445 1.00 0.00 C ATOM 603 OG1 THR A 40 -18.700 12.952 11.313 1.00 0.00 O ATOM 604 CG2 THR A 40 -16.505 13.968 11.275 1.00 0.00 C ATOM 0 H THR A 40 -18.994 12.951 8.189 1.00 0.00 H new ATOM 0 HA THR A 40 -18.591 15.322 10.048 1.00 0.00 H new ATOM 0 HB THR A 40 -17.282 12.547 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.489 12.058 11.655 1.00 0.00 H new ATOM 0 HG21 THR A 40 -16.116 13.200 11.944 1.00 0.00 H new ATOM 0 HG22 THR A 40 -15.711 14.305 10.609 1.00 0.00 H new ATOM 0 HG23 THR A 40 -16.868 14.811 11.863 1.00 0.00 H new ATOM 612 N LYS A 41 -16.610 16.162 8.838 1.00 0.00 N ATOM 613 CA LYS A 41 -15.543 16.748 7.967 1.00 0.00 C ATOM 614 C LYS A 41 -14.225 15.967 8.116 1.00 0.00 C ATOM 615 O LYS A 41 -13.362 16.039 7.262 1.00 0.00 O ATOM 616 CB LYS A 41 -15.378 18.199 8.445 1.00 0.00 C ATOM 617 CG LYS A 41 -14.786 18.233 9.860 1.00 0.00 C ATOM 618 CD LYS A 41 -13.490 19.054 9.862 1.00 0.00 C ATOM 619 CE LYS A 41 -12.454 18.400 8.939 1.00 0.00 C ATOM 620 NZ LYS A 41 -11.747 17.412 9.804 1.00 0.00 N ATOM 0 H LYS A 41 -16.881 16.738 9.635 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.810 16.700 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.728 18.743 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.344 18.703 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.504 18.669 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.585 17.219 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.694 20.072 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.095 19.123 10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.932 17.912 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.762 19.139 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.104 16.839 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.200 17.916 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.444 16.792 10.263 1.00 0.00 H new ATOM 634 N GLY A 42 -14.067 15.214 9.187 1.00 0.00 N ATOM 635 CA GLY A 42 -12.813 14.420 9.391 1.00 0.00 C ATOM 636 C GLY A 42 -12.632 13.377 8.277 1.00 0.00 C ATOM 637 O GLY A 42 -11.613 12.728 8.201 1.00 0.00 O ATOM 0 H GLY A 42 -14.759 15.118 9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.953 15.090 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.849 13.920 10.359 1.00 0.00 H new ATOM 641 N LEU A 43 -13.607 13.220 7.412 1.00 0.00 N ATOM 642 CA LEU A 43 -13.504 12.233 6.290 1.00 0.00 C ATOM 643 C LEU A 43 -13.463 10.790 6.820 1.00 0.00 C ATOM 644 O LEU A 43 -12.766 9.946 6.292 1.00 0.00 O ATOM 645 CB LEU A 43 -12.212 12.581 5.541 1.00 0.00 C ATOM 646 CG LEU A 43 -12.219 14.055 5.132 1.00 0.00 C ATOM 647 CD1 LEU A 43 -10.895 14.288 4.404 1.00 0.00 C ATOM 648 CD2 LEU A 43 -13.453 14.394 4.292 1.00 0.00 C ATOM 0 H LEU A 43 -14.483 13.742 7.437 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.372 12.290 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.349 12.376 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.115 11.951 4.657 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.292 14.723 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.835 15.328 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.066 14.067 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.839 13.635 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.428 15.449 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.457 13.784 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.354 14.191 4.871 1.00 0.00 H new ATOM 660 N GLY A 44 -14.221 10.501 7.850 1.00 0.00 N ATOM 661 CA GLY A 44 -14.253 9.111 8.411 1.00 0.00 C ATOM 662 C GLY A 44 -12.846 8.639 8.789 1.00 0.00 C ATOM 663 O GLY A 44 -12.563 7.456 8.777 1.00 0.00 O ATOM 0 H GLY A 44 -14.822 11.171 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.898 9.084 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.685 8.429 7.678 1.00 0.00 H new ATOM 667 N ILE A 45 -11.965 9.549 9.121 1.00 0.00 N ATOM 668 CA ILE A 45 -10.574 9.138 9.496 1.00 0.00 C ATOM 669 C ILE A 45 -10.572 8.393 10.842 1.00 0.00 C ATOM 670 O ILE A 45 -10.043 7.302 10.939 1.00 0.00 O ATOM 671 CB ILE A 45 -9.734 10.429 9.567 1.00 0.00 C ATOM 672 CG1 ILE A 45 -10.439 11.505 10.406 1.00 0.00 C ATOM 673 CG2 ILE A 45 -9.501 10.958 8.149 1.00 0.00 C ATOM 674 CD1 ILE A 45 -9.737 11.652 11.758 1.00 0.00 C ATOM 0 H ILE A 45 -12.145 10.553 9.149 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.155 8.451 8.761 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.782 10.196 10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.429 12.457 9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.484 11.235 10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.907 11.871 8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.969 10.208 7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.461 11.172 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.242 12.417 12.349 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.770 10.701 12.290 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.699 11.943 11.599 1.00 0.00 H new ATOM 686 N SER A 46 -11.165 8.959 11.877 1.00 0.00 N ATOM 687 CA SER A 46 -11.190 8.257 13.206 1.00 0.00 C ATOM 688 C SER A 46 -11.997 9.041 14.262 1.00 0.00 C ATOM 689 O SER A 46 -11.739 8.919 15.446 1.00 0.00 O ATOM 690 CB SER A 46 -9.721 8.152 13.638 1.00 0.00 C ATOM 691 OG SER A 46 -9.169 9.452 13.795 1.00 0.00 O ATOM 0 H SER A 46 -11.628 9.868 11.857 1.00 0.00 H new ATOM 0 HA SER A 46 -11.674 7.284 13.118 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.647 7.600 14.575 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.153 7.594 12.894 1.00 0.00 H new ATOM 0 HG SER A 46 -8.232 9.378 14.072 1.00 0.00 H new ATOM 697 N TYR A 47 -12.974 9.829 13.868 1.00 0.00 N ATOM 698 CA TYR A 47 -13.775 10.584 14.889 1.00 0.00 C ATOM 699 C TYR A 47 -14.809 9.659 15.556 1.00 0.00 C ATOM 700 O TYR A 47 -15.228 9.896 16.674 1.00 0.00 O ATOM 701 CB TYR A 47 -14.470 11.721 14.123 1.00 0.00 C ATOM 702 CG TYR A 47 -15.448 11.161 13.115 1.00 0.00 C ATOM 703 CD1 TYR A 47 -16.708 10.712 13.529 1.00 0.00 C ATOM 704 CD2 TYR A 47 -15.091 11.092 11.768 1.00 0.00 C ATOM 705 CE1 TYR A 47 -17.604 10.193 12.594 1.00 0.00 C ATOM 706 CE2 TYR A 47 -15.984 10.575 10.836 1.00 0.00 C ATOM 707 CZ TYR A 47 -17.244 10.123 11.246 1.00 0.00 C ATOM 708 OH TYR A 47 -18.128 9.609 10.320 1.00 0.00 O ATOM 0 H TYR A 47 -13.248 9.981 12.897 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.143 10.974 15.687 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.993 12.372 14.823 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -13.725 12.333 13.614 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -16.986 10.767 14.571 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -14.120 11.441 11.449 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -18.576 9.845 12.912 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -15.705 10.522 9.794 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.237 10.246 9.583 1.00 0.00 H new ATOM 718 N GLY A 48 -15.227 8.614 14.876 1.00 0.00 N ATOM 719 CA GLY A 48 -16.234 7.680 15.461 1.00 0.00 C ATOM 720 C GLY A 48 -17.454 7.607 14.536 1.00 0.00 C ATOM 721 O GLY A 48 -18.523 8.085 14.868 1.00 0.00 O ATOM 0 H GLY A 48 -14.910 8.371 13.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.798 6.689 15.586 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.534 8.024 16.451 1.00 0.00 H new ATOM 725 N ARG A 49 -17.300 7.012 13.376 1.00 0.00 N ATOM 726 CA ARG A 49 -18.443 6.903 12.419 1.00 0.00 C ATOM 727 C ARG A 49 -19.474 5.887 12.935 1.00 0.00 C ATOM 728 O ARG A 49 -19.181 5.078 13.796 1.00 0.00 O ATOM 729 CB ARG A 49 -17.812 6.431 11.110 1.00 0.00 C ATOM 730 CG ARG A 49 -18.825 6.566 9.966 1.00 0.00 C ATOM 731 CD ARG A 49 -18.308 5.846 8.720 1.00 0.00 C ATOM 732 NE ARG A 49 -16.960 6.437 8.484 1.00 0.00 N ATOM 733 CZ ARG A 49 -15.949 5.658 8.203 1.00 0.00 C ATOM 734 NH1 ARG A 49 -16.015 4.842 7.180 1.00 0.00 N ATOM 735 NH2 ARG A 49 -14.875 5.690 8.948 1.00 0.00 N ATOM 0 H ARG A 49 -16.427 6.596 13.052 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.976 7.846 12.294 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.922 7.021 10.891 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.492 5.393 11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -19.784 6.145 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.995 7.619 9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.248 4.769 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.967 6.006 7.867 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.827 7.447 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.856 4.815 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.226 4.234 6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.827 6.322 9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.085 5.083 8.730 1.00 0.00 H new ATOM 749 N LYS A 50 -20.680 5.933 12.424 1.00 0.00 N ATOM 750 CA LYS A 50 -21.736 4.983 12.893 1.00 0.00 C ATOM 751 C LYS A 50 -22.289 4.115 11.746 1.00 0.00 C ATOM 752 O LYS A 50 -23.093 3.233 11.983 1.00 0.00 O ATOM 753 CB LYS A 50 -22.841 5.875 13.475 1.00 0.00 C ATOM 754 CG LYS A 50 -23.324 6.885 12.422 1.00 0.00 C ATOM 755 CD LYS A 50 -22.712 8.265 12.700 1.00 0.00 C ATOM 756 CE LYS A 50 -23.140 8.760 14.086 1.00 0.00 C ATOM 757 NZ LYS A 50 -23.208 10.244 13.945 1.00 0.00 N ATOM 0 H LYS A 50 -20.979 6.588 11.702 1.00 0.00 H new ATOM 0 HA LYS A 50 -21.335 4.280 13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -23.677 5.259 13.808 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -22.466 6.404 14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -23.042 6.547 11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -24.412 6.950 12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.625 8.207 12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -23.032 8.974 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -24.105 8.344 14.376 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.422 8.466 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.495 10.666 14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.273 10.610 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.903 10.492 13.212 1.00 0.00 H new ATOM 771 N LYS A 51 -21.870 4.354 10.516 1.00 0.00 N ATOM 772 CA LYS A 51 -22.362 3.548 9.337 1.00 0.00 C ATOM 773 C LYS A 51 -23.824 3.880 8.990 1.00 0.00 C ATOM 774 O LYS A 51 -24.146 4.136 7.845 1.00 0.00 O ATOM 775 CB LYS A 51 -22.227 2.071 9.734 1.00 0.00 C ATOM 776 CG LYS A 51 -21.350 1.345 8.708 1.00 0.00 C ATOM 777 CD LYS A 51 -19.925 1.206 9.254 1.00 0.00 C ATOM 778 CE LYS A 51 -19.189 2.544 9.125 1.00 0.00 C ATOM 779 NZ LYS A 51 -17.799 2.251 9.582 1.00 0.00 N ATOM 0 H LYS A 51 -21.199 5.083 10.276 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.776 3.780 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.787 1.989 10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -23.211 1.605 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.765 0.360 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.338 1.898 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.954 0.895 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.389 0.431 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.201 2.906 8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.655 3.314 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.374 3.114 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.823 1.512 10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.230 1.922 8.776 1.00 0.00 H new ATOM 793 N ARG A 52 -24.709 3.875 9.959 1.00 0.00 N ATOM 794 CA ARG A 52 -26.147 4.187 9.678 1.00 0.00 C ATOM 795 C ARG A 52 -26.319 5.670 9.313 1.00 0.00 C ATOM 796 O ARG A 52 -27.386 6.089 8.904 1.00 0.00 O ATOM 797 CB ARG A 52 -26.912 3.864 10.972 1.00 0.00 C ATOM 798 CG ARG A 52 -26.492 2.500 11.557 1.00 0.00 C ATOM 799 CD ARG A 52 -26.196 1.475 10.450 1.00 0.00 C ATOM 800 NE ARG A 52 -27.445 1.412 9.636 1.00 0.00 N ATOM 801 CZ ARG A 52 -28.515 0.828 10.114 1.00 0.00 C ATOM 802 NH1 ARG A 52 -28.574 -0.476 10.180 1.00 0.00 N ATOM 803 NH2 ARG A 52 -29.525 1.550 10.527 1.00 0.00 N ATOM 0 H ARG A 52 -24.497 3.668 10.935 1.00 0.00 H new ATOM 0 HA ARG A 52 -26.520 3.605 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -26.730 4.647 11.708 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -27.983 3.859 10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -25.607 2.628 12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -27.285 2.121 12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -25.345 1.784 9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -25.950 0.500 10.871 1.00 0.00 H new ATOM 0 HE ARG A 52 -27.465 1.825 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -27.786 -1.039 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -29.408 -0.931 10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -29.479 2.568 10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -30.359 1.095 10.899 1.00 0.00 H new ATOM 817 N ARG A 53 -25.275 6.460 9.444 1.00 0.00 N ATOM 818 CA ARG A 53 -25.364 7.912 9.089 1.00 0.00 C ATOM 819 C ARG A 53 -25.808 8.090 7.626 1.00 0.00 C ATOM 820 O ARG A 53 -26.298 9.137 7.248 1.00 0.00 O ATOM 821 CB ARG A 53 -23.945 8.463 9.294 1.00 0.00 C ATOM 822 CG ARG A 53 -22.949 7.740 8.375 1.00 0.00 C ATOM 823 CD ARG A 53 -22.762 8.537 7.080 1.00 0.00 C ATOM 824 NE ARG A 53 -21.620 7.866 6.393 1.00 0.00 N ATOM 825 CZ ARG A 53 -21.637 7.709 5.092 1.00 0.00 C ATOM 826 NH1 ARG A 53 -22.202 8.611 4.327 1.00 0.00 N ATOM 827 NH2 ARG A 53 -21.086 6.650 4.557 1.00 0.00 N ATOM 0 H ARG A 53 -24.362 6.157 9.783 1.00 0.00 H new ATOM 0 HA ARG A 53 -26.098 8.435 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -23.930 9.533 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -23.646 8.337 10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -21.991 7.624 8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -23.313 6.738 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -23.663 8.516 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -22.542 9.584 7.286 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.825 7.529 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -22.630 9.438 4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -22.214 8.486 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.645 5.949 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.098 6.525 3.545 1.00 0.00 H new ATOM 841 N GLN A 54 -25.645 7.076 6.804 1.00 0.00 N ATOM 842 CA GLN A 54 -26.066 7.191 5.372 1.00 0.00 C ATOM 843 C GLN A 54 -27.594 7.265 5.278 1.00 0.00 C ATOM 844 O GLN A 54 -28.134 7.969 4.445 1.00 0.00 O ATOM 845 CB GLN A 54 -25.564 5.915 4.685 1.00 0.00 C ATOM 846 CG GLN A 54 -24.038 5.835 4.771 1.00 0.00 C ATOM 847 CD GLN A 54 -23.569 4.450 4.315 1.00 0.00 C ATOM 848 OE1 GLN A 54 -23.000 4.309 3.252 1.00 0.00 O ATOM 849 NE2 GLN A 54 -23.783 3.414 5.080 1.00 0.00 N ATOM 0 H GLN A 54 -25.239 6.177 7.065 1.00 0.00 H new ATOM 0 HA GLN A 54 -25.661 8.089 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -26.009 5.039 5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -25.878 5.907 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -23.588 6.606 4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -23.711 6.022 5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -24.261 3.530 5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -23.472 2.489 4.784 1.00 0.00 H new ATOM 858 N ARG A 55 -28.290 6.532 6.124 1.00 0.00 N ATOM 859 CA ARG A 55 -29.792 6.536 6.095 1.00 0.00 C ATOM 860 C ARG A 55 -30.311 6.119 4.705 1.00 0.00 C ATOM 861 O ARG A 55 -31.406 6.476 4.312 1.00 0.00 O ATOM 862 CB ARG A 55 -30.208 7.976 6.425 1.00 0.00 C ATOM 863 CG ARG A 55 -29.915 8.275 7.898 1.00 0.00 C ATOM 864 CD ARG A 55 -30.990 9.214 8.455 1.00 0.00 C ATOM 865 NE ARG A 55 -30.516 9.539 9.833 1.00 0.00 N ATOM 866 CZ ARG A 55 -30.642 10.754 10.299 1.00 0.00 C ATOM 867 NH1 ARG A 55 -31.800 11.165 10.748 1.00 0.00 N ATOM 868 NH2 ARG A 55 -29.610 11.558 10.321 1.00 0.00 N ATOM 0 H ARG A 55 -27.878 5.929 6.836 1.00 0.00 H new ATOM 0 HA ARG A 55 -30.211 5.826 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -29.667 8.676 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -31.270 8.114 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -29.895 7.348 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -28.931 8.733 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -31.088 10.112 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -31.968 8.733 8.474 1.00 0.00 H new ATOM 0 HE ARG A 55 -30.094 8.813 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -32.604 10.538 10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -31.899 12.113 11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -28.706 11.237 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -29.710 12.506 10.685 1.00 0.00 H new ATOM 882 N ARG A 56 -29.532 5.359 3.966 1.00 0.00 N ATOM 883 CA ARG A 56 -29.968 4.906 2.607 1.00 0.00 C ATOM 884 C ARG A 56 -29.102 3.722 2.141 1.00 0.00 C ATOM 885 O ARG A 56 -28.725 3.628 0.987 1.00 0.00 O ATOM 886 CB ARG A 56 -29.771 6.123 1.691 1.00 0.00 C ATOM 887 CG ARG A 56 -28.276 6.363 1.447 1.00 0.00 C ATOM 888 CD ARG A 56 -27.989 7.865 1.450 1.00 0.00 C ATOM 889 NE ARG A 56 -27.655 8.190 0.031 1.00 0.00 N ATOM 890 CZ ARG A 56 -27.327 9.411 -0.301 1.00 0.00 C ATOM 891 NH1 ARG A 56 -26.076 9.789 -0.248 1.00 0.00 N ATOM 892 NH2 ARG A 56 -28.252 10.254 -0.682 1.00 0.00 N ATOM 0 H ARG A 56 -28.608 5.033 4.250 1.00 0.00 H new ATOM 0 HA ARG A 56 -31.003 4.563 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -30.281 5.959 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -30.220 7.006 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -27.687 5.869 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -27.979 5.928 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -28.854 8.433 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -27.162 8.109 2.117 1.00 0.00 H new ATOM 0 HE ARG A 56 -27.683 7.459 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -25.357 9.131 0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -25.820 10.742 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -29.227 9.958 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -27.998 11.207 -0.941 1.00 0.00 H new ATOM 906 N ARG A 57 -28.791 2.818 3.038 1.00 0.00 N ATOM 907 CA ARG A 57 -27.952 1.634 2.669 1.00 0.00 C ATOM 908 C ARG A 57 -28.560 0.853 1.486 1.00 0.00 C ATOM 909 O ARG A 57 -27.840 0.470 0.585 1.00 0.00 O ATOM 910 CB ARG A 57 -27.909 0.764 3.928 1.00 0.00 C ATOM 911 CG ARG A 57 -26.842 -0.321 3.771 1.00 0.00 C ATOM 912 CD ARG A 57 -25.458 0.289 3.997 1.00 0.00 C ATOM 913 NE ARG A 57 -24.517 -0.805 3.626 1.00 0.00 N ATOM 914 CZ ARG A 57 -24.114 -1.658 4.530 1.00 0.00 C ATOM 915 NH1 ARG A 57 -23.219 -1.300 5.414 1.00 0.00 N ATOM 916 NH2 ARG A 57 -24.605 -2.870 4.547 1.00 0.00 N ATOM 0 H ARG A 57 -29.084 2.849 4.015 1.00 0.00 H new ATOM 0 HA ARG A 57 -26.957 1.939 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -27.689 1.380 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.884 0.307 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -27.018 -1.125 4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -26.899 -0.761 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.306 1.173 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.322 0.598 5.033 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.187 -0.888 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -22.836 -0.355 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.904 -1.966 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.301 -3.148 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -24.292 -3.537 5.252 1.00 0.00 H new ATOM 930 N PRO A 58 -29.863 0.632 1.518 1.00 0.00 N ATOM 931 CA PRO A 58 -30.527 -0.117 0.417 1.00 0.00 C ATOM 932 C PRO A 58 -30.540 0.693 -0.891 1.00 0.00 C ATOM 933 O PRO A 58 -30.726 0.140 -1.959 1.00 0.00 O ATOM 934 CB PRO A 58 -31.944 -0.350 0.937 1.00 0.00 C ATOM 935 CG PRO A 58 -32.163 0.747 1.929 1.00 0.00 C ATOM 936 CD PRO A 58 -30.825 1.047 2.554 1.00 0.00 C ATOM 0 HA PRO A 58 -30.009 -1.045 0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.675 -0.307 0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -32.040 -1.331 1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.568 1.633 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -32.884 0.443 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -30.723 2.105 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -30.681 0.492 3.481 1.00 0.00 H new ATOM 944 N SER A 59 -30.342 1.993 -0.825 1.00 0.00 N ATOM 945 CA SER A 59 -30.342 2.812 -2.075 1.00 0.00 C ATOM 946 C SER A 59 -28.980 2.710 -2.764 1.00 0.00 C ATOM 947 O SER A 59 -28.019 3.320 -2.343 1.00 0.00 O ATOM 948 CB SER A 59 -30.615 4.248 -1.620 1.00 0.00 C ATOM 949 OG SER A 59 -31.901 4.322 -1.020 1.00 0.00 O ATOM 0 H SER A 59 -30.182 2.515 0.037 1.00 0.00 H new ATOM 0 HA SER A 59 -31.089 2.473 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 59 -29.852 4.566 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 59 -30.560 4.926 -2.471 1.00 0.00 H new ATOM 0 HG SER A 59 -32.073 5.241 -0.728 1.00 0.00 H new ATOM 955 N GLN A 60 -28.894 1.933 -3.818 1.00 0.00 N ATOM 956 CA GLN A 60 -27.600 1.771 -4.547 1.00 0.00 C ATOM 957 C GLN A 60 -27.848 1.581 -6.050 1.00 0.00 C ATOM 958 O GLN A 60 -27.048 0.985 -6.748 1.00 0.00 O ATOM 959 CB GLN A 60 -26.950 0.522 -3.949 1.00 0.00 C ATOM 960 CG GLN A 60 -26.705 0.746 -2.457 1.00 0.00 C ATOM 961 CD GLN A 60 -26.284 -0.563 -1.774 1.00 0.00 C ATOM 962 OE1 GLN A 60 -25.496 -0.546 -0.849 1.00 0.00 O ATOM 963 NE2 GLN A 60 -26.781 -1.703 -2.177 1.00 0.00 N ATOM 0 H GLN A 60 -29.673 1.401 -4.206 1.00 0.00 H new ATOM 0 HA GLN A 60 -26.963 2.649 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.595 -0.344 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.009 0.309 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -25.929 1.499 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -27.610 1.132 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -27.443 -1.725 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -26.507 -2.570 -1.716 1.00 0.00 H new ATOM 972 N GLY A 61 -28.948 2.094 -6.551 1.00 0.00 N ATOM 973 CA GLY A 61 -29.251 1.958 -8.009 1.00 0.00 C ATOM 974 C GLY A 61 -28.402 2.966 -8.785 1.00 0.00 C ATOM 975 O GLY A 61 -28.864 4.027 -9.157 1.00 0.00 O ATOM 0 H GLY A 61 -29.649 2.601 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.035 0.944 -8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.311 2.136 -8.193 1.00 0.00 H new ATOM 979 N GLY A 62 -27.154 2.644 -9.006 1.00 0.00 N ATOM 980 CA GLY A 62 -26.244 3.577 -9.731 1.00 0.00 C ATOM 981 C GLY A 62 -25.673 4.589 -8.728 1.00 0.00 C ATOM 982 O GLY A 62 -25.233 5.662 -9.099 1.00 0.00 O ATOM 0 H GLY A 62 -26.724 1.767 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -25.436 3.022 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.786 4.095 -10.522 1.00 0.00 H new ATOM 986 N GLN A 63 -25.684 4.253 -7.456 1.00 0.00 N ATOM 987 CA GLN A 63 -25.155 5.181 -6.417 1.00 0.00 C ATOM 988 C GLN A 63 -23.624 5.192 -6.407 1.00 0.00 C ATOM 989 O GLN A 63 -23.018 6.125 -5.917 1.00 0.00 O ATOM 990 CB GLN A 63 -25.679 4.621 -5.099 1.00 0.00 C ATOM 991 CG GLN A 63 -27.188 4.851 -5.003 1.00 0.00 C ATOM 992 CD GLN A 63 -27.513 6.349 -4.919 1.00 0.00 C ATOM 993 OE1 GLN A 63 -26.673 7.168 -4.344 1.00 0.00 O flip ATOM 994 NE2 GLN A 63 -28.550 6.779 -5.382 1.00 0.00 N flip ATOM 0 H GLN A 63 -26.041 3.367 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.470 6.209 -6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.459 3.555 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -25.174 5.103 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.682 4.417 -5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -27.582 4.340 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.209 6.144 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -28.762 7.775 -5.321 1.00 0.00 H new ATOM 1003 N THR A 64 -22.993 4.156 -6.925 1.00 0.00 N ATOM 1004 CA THR A 64 -21.496 4.104 -6.916 1.00 0.00 C ATOM 1005 C THR A 64 -21.002 4.465 -5.508 1.00 0.00 C ATOM 1006 O THR A 64 -20.163 5.329 -5.316 1.00 0.00 O ATOM 1007 CB THR A 64 -21.068 5.140 -7.953 1.00 0.00 C ATOM 1008 OG1 THR A 64 -21.443 4.688 -9.245 1.00 0.00 O ATOM 1009 CG2 THR A 64 -19.553 5.343 -7.909 1.00 0.00 C ATOM 0 H THR A 64 -23.451 3.350 -7.351 1.00 0.00 H new ATOM 0 HA THR A 64 -21.085 3.123 -7.156 1.00 0.00 H new ATOM 0 HB THR A 64 -21.558 6.088 -7.731 1.00 0.00 H new ATOM 0 HG1 THR A 64 -20.800 4.016 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.263 6.084 -8.654 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.261 5.691 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.053 4.399 -8.124 1.00 0.00 H new ATOM 1017 N HIS A 65 -21.555 3.816 -4.521 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.175 4.109 -3.110 1.00 0.00 C ATOM 1019 C HIS A 65 -19.782 3.556 -2.788 1.00 0.00 C ATOM 1020 O HIS A 65 -19.189 2.829 -3.563 1.00 0.00 O ATOM 1021 CB HIS A 65 -22.234 3.413 -2.265 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.460 4.280 -2.143 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -23.667 5.630 -2.310 1.00 0.00 N flip ATOM 1024 CD2 HIS A 65 -24.694 3.751 -1.802 1.00 0.00 C flip ATOM 1025 CE1 HIS A 65 -25.005 5.929 -2.077 1.00 0.00 C flip ATOM 1026 NE2 HIS A 65 -25.577 4.764 -1.777 1.00 0.00 N flip ATOM 0 H HIS A 65 -22.261 3.088 -4.633 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.131 5.181 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.500 2.458 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -21.834 3.196 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -24.908 2.713 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -25.479 6.898 -2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -26.566 4.654 -1.555 1.00 0.00 H new ATOM 1034 N GLN A 66 -19.257 3.922 -1.647 1.00 0.00 N ATOM 1035 CA GLN A 66 -17.899 3.459 -1.249 1.00 0.00 C ATOM 1036 C GLN A 66 -17.976 2.588 0.003 1.00 0.00 C ATOM 1037 O GLN A 66 -17.359 1.547 0.083 1.00 0.00 O ATOM 1038 CB GLN A 66 -17.124 4.742 -0.947 1.00 0.00 C ATOM 1039 CG GLN A 66 -17.053 5.619 -2.199 1.00 0.00 C ATOM 1040 CD GLN A 66 -18.030 6.793 -2.055 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -19.224 6.704 -2.580 1.00 0.00 O flip ATOM 1042 NE2 GLN A 66 -17.704 7.800 -1.460 1.00 0.00 N flip ATOM 0 H GLN A 66 -19.718 4.528 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.427 2.858 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -17.610 5.288 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.118 4.497 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -16.038 5.991 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -17.301 5.031 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -16.773 7.871 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -18.361 8.575 -1.370 1.00 0.00 H new ATOM 1051 N ASP A 67 -18.721 3.018 0.985 1.00 0.00 N ATOM 1052 CA ASP A 67 -18.835 2.232 2.246 1.00 0.00 C ATOM 1053 C ASP A 67 -19.825 1.057 2.095 1.00 0.00 C ATOM 1054 O ASP A 67 -19.518 -0.045 2.507 1.00 0.00 O ATOM 1055 CB ASP A 67 -19.326 3.244 3.290 1.00 0.00 C ATOM 1056 CG ASP A 67 -19.757 2.519 4.569 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -18.887 2.071 5.297 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -20.952 2.427 4.797 1.00 0.00 O ATOM 0 H ASP A 67 -19.258 3.885 0.967 1.00 0.00 H new ATOM 0 HA ASP A 67 -17.886 1.775 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.533 3.957 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -20.163 3.815 2.888 1.00 0.00 H new ATOM 1063 N PRO A 68 -20.989 1.323 1.533 1.00 0.00 N ATOM 1064 CA PRO A 68 -22.006 0.256 1.368 1.00 0.00 C ATOM 1065 C PRO A 68 -21.712 -0.678 0.173 1.00 0.00 C ATOM 1066 O PRO A 68 -22.026 -1.853 0.234 1.00 0.00 O ATOM 1067 CB PRO A 68 -23.304 1.023 1.153 1.00 0.00 C ATOM 1068 CG PRO A 68 -22.890 2.349 0.598 1.00 0.00 C ATOM 1069 CD PRO A 68 -21.464 2.615 1.018 1.00 0.00 C ATOM 0 HA PRO A 68 -22.031 -0.409 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -23.963 0.496 0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -23.851 1.141 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.972 2.348 -0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -23.547 3.137 0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.859 2.955 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -21.413 3.391 1.782 1.00 0.00 H new ATOM 1077 N ILE A 69 -21.137 -0.194 -0.917 1.00 0.00 N ATOM 1078 CA ILE A 69 -20.876 -1.102 -2.071 1.00 0.00 C ATOM 1079 C ILE A 69 -19.402 -1.020 -2.536 1.00 0.00 C ATOM 1080 O ILE A 69 -19.128 -0.934 -3.718 1.00 0.00 O ATOM 1081 CB ILE A 69 -21.872 -0.656 -3.174 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -21.307 0.497 -4.010 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -23.182 -0.188 -2.537 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -21.252 0.067 -5.473 1.00 0.00 C ATOM 0 H ILE A 69 -20.846 0.775 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.025 -2.149 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.044 -1.515 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -21.932 1.383 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -20.311 0.765 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.876 0.123 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.622 -1.006 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.983 0.653 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.851 0.881 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -20.609 -0.808 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -22.256 -0.180 -5.818 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.481 -1.109 -1.591 1.00 0.00 N ATOM 1097 CA PRO A 70 -17.035 -1.093 -1.945 1.00 0.00 C ATOM 1098 C PRO A 70 -16.691 -2.360 -2.746 1.00 0.00 C ATOM 1099 O PRO A 70 -15.610 -2.494 -3.289 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.327 -1.081 -0.593 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.325 -1.680 0.347 1.00 0.00 C ATOM 1102 CD PRO A 70 -18.684 -1.248 -0.144 1.00 0.00 C ATOM 0 HA PRO A 70 -16.744 -0.244 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.406 -1.663 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.056 -0.069 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.244 -2.767 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.153 -1.336 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.451 -1.987 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.999 -0.309 0.312 1.00 0.00 H new ATOM 1110 N LYS A 71 -17.630 -3.277 -2.824 1.00 0.00 N ATOM 1111 CA LYS A 71 -17.436 -4.541 -3.586 1.00 0.00 C ATOM 1112 C LYS A 71 -17.025 -4.242 -5.026 1.00 0.00 C ATOM 1113 O LYS A 71 -16.148 -4.877 -5.583 1.00 0.00 O ATOM 1114 CB LYS A 71 -18.831 -5.175 -3.628 1.00 0.00 C ATOM 1115 CG LYS A 71 -19.146 -5.966 -2.367 1.00 0.00 C ATOM 1116 CD LYS A 71 -19.617 -5.030 -1.249 1.00 0.00 C ATOM 1117 CE LYS A 71 -18.509 -4.874 -0.203 1.00 0.00 C ATOM 1118 NZ LYS A 71 -18.544 -6.147 0.575 1.00 0.00 N ATOM 0 H LYS A 71 -18.543 -3.193 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.670 -5.168 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.579 -4.393 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.902 -5.833 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.918 -6.706 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.260 -6.512 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.879 -4.056 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -20.517 -5.430 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.538 -4.724 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.689 -4.012 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.791 -5.942 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.256 -6.785 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.610 -6.602 0.538 1.00 0.00 H new ATOM 1132 N GLN A 72 -17.718 -3.316 -5.647 1.00 0.00 N ATOM 1133 CA GLN A 72 -17.462 -2.997 -7.080 1.00 0.00 C ATOM 1134 C GLN A 72 -18.273 -1.763 -7.476 1.00 0.00 C ATOM 1135 O GLN A 72 -18.918 -1.163 -6.638 1.00 0.00 O ATOM 1136 CB GLN A 72 -17.984 -4.227 -7.863 1.00 0.00 C ATOM 1137 CG GLN A 72 -18.859 -5.149 -6.982 1.00 0.00 C ATOM 1138 CD GLN A 72 -20.312 -4.650 -6.898 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -20.700 -3.839 -5.926 1.00 0.00 O flip ATOM 1140 NE2 GLN A 72 -21.120 -5.010 -7.731 1.00 0.00 N flip ATOM 0 H GLN A 72 -18.458 -2.764 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 72 -16.410 -2.793 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -18.564 -3.890 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -17.138 -4.794 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -18.845 -6.160 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -18.435 -5.203 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -20.832 -5.635 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -22.086 -4.688 -7.677 1.00 0.00 H new ATOM 1149 N PRO A 73 -18.265 -1.445 -8.750 1.00 0.00 N ATOM 1150 CA PRO A 73 -19.073 -0.303 -9.234 1.00 0.00 C ATOM 1151 C PRO A 73 -20.551 -0.613 -8.966 1.00 0.00 C ATOM 1152 O PRO A 73 -21.255 0.183 -8.377 1.00 0.00 O ATOM 1153 CB PRO A 73 -18.753 -0.244 -10.728 1.00 0.00 C ATOM 1154 CG PRO A 73 -18.303 -1.632 -11.049 1.00 0.00 C ATOM 1155 CD PRO A 73 -17.528 -2.092 -9.846 1.00 0.00 C ATOM 0 HA PRO A 73 -18.860 0.650 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.627 0.039 -11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.975 0.489 -10.942 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.154 -2.286 -11.241 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.682 -1.646 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.525 -3.178 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.487 -1.772 -9.883 1.00 0.00 H new ATOM 1163 N SER A 74 -20.999 -1.795 -9.359 1.00 0.00 N ATOM 1164 CA SER A 74 -22.414 -2.226 -9.113 1.00 0.00 C ATOM 1165 C SER A 74 -23.415 -1.272 -9.771 1.00 0.00 C ATOM 1166 O SER A 74 -23.297 -0.071 -9.682 1.00 0.00 O ATOM 1167 CB SER A 74 -22.561 -2.239 -7.588 1.00 0.00 C ATOM 1168 OG SER A 74 -23.936 -2.258 -7.227 1.00 0.00 O ATOM 0 H SER A 74 -20.428 -2.485 -9.847 1.00 0.00 H new ATOM 0 HA SER A 74 -22.624 -3.203 -9.548 1.00 0.00 H new ATOM 0 HB2 SER A 74 -22.057 -3.112 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.078 -1.360 -7.161 1.00 0.00 H new ATOM 0 HG SER A 74 -24.018 -2.268 -6.250 1.00 0.00 H new ATOM 1174 N SER A 75 -24.404 -1.809 -10.446 1.00 0.00 N ATOM 1175 CA SER A 75 -25.415 -0.941 -11.131 1.00 0.00 C ATOM 1176 C SER A 75 -24.722 -0.076 -12.196 1.00 0.00 C ATOM 1177 O SER A 75 -25.164 1.010 -12.523 1.00 0.00 O ATOM 1178 CB SER A 75 -26.021 -0.078 -10.023 1.00 0.00 C ATOM 1179 OG SER A 75 -27.432 -0.022 -10.181 1.00 0.00 O ATOM 0 H SER A 75 -24.555 -2.812 -10.552 1.00 0.00 H new ATOM 0 HA SER A 75 -26.183 -1.518 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.770 -0.493 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 75 -25.601 0.927 -10.060 1.00 0.00 H new ATOM 0 HG SER A 75 -27.862 -0.529 -9.461 1.00 0.00 H new ATOM 1185 N GLN A 76 -23.637 -0.573 -12.734 1.00 0.00 N ATOM 1186 CA GLN A 76 -22.878 0.173 -13.784 1.00 0.00 C ATOM 1187 C GLN A 76 -22.485 -0.785 -14.919 1.00 0.00 C ATOM 1188 O GLN A 76 -22.878 -0.577 -16.052 1.00 0.00 O ATOM 1189 CB GLN A 76 -21.634 0.720 -13.077 1.00 0.00 C ATOM 1190 CG GLN A 76 -21.837 2.198 -12.742 1.00 0.00 C ATOM 1191 CD GLN A 76 -21.641 2.408 -11.239 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -20.545 2.680 -10.789 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -22.665 2.282 -10.439 1.00 0.00 N ATOM 0 H GLN A 76 -23.239 -1.479 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 76 -23.465 0.976 -14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -21.444 0.154 -12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -20.759 0.599 -13.715 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -21.130 2.810 -13.302 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -22.837 2.516 -13.038 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -23.584 2.054 -10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -22.546 2.412 -9.434 1.00 0.00 H new ATOM 1202 N PRO A 77 -21.738 -1.825 -14.583 1.00 0.00 N ATOM 1203 CA PRO A 77 -21.332 -2.816 -15.605 1.00 0.00 C ATOM 1204 C PRO A 77 -22.517 -3.725 -15.957 1.00 0.00 C ATOM 1205 O PRO A 77 -22.517 -4.385 -16.980 1.00 0.00 O ATOM 1206 CB PRO A 77 -20.218 -3.611 -14.925 1.00 0.00 C ATOM 1207 CG PRO A 77 -20.476 -3.467 -13.460 1.00 0.00 C ATOM 1208 CD PRO A 77 -21.211 -2.168 -13.248 1.00 0.00 C ATOM 0 HA PRO A 77 -21.005 -2.359 -16.539 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -20.239 -4.658 -15.228 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -19.236 -3.221 -15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -21.068 -4.305 -13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -19.538 -3.470 -12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -22.014 -2.280 -12.520 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -20.545 -1.391 -12.871 1.00 0.00 H new ATOM 1216 N ARG A 78 -23.521 -3.773 -15.108 1.00 0.00 N ATOM 1217 CA ARG A 78 -24.700 -4.648 -15.383 1.00 0.00 C ATOM 1218 C ARG A 78 -26.026 -3.893 -15.164 1.00 0.00 C ATOM 1219 O ARG A 78 -27.088 -4.487 -15.214 1.00 0.00 O ATOM 1220 CB ARG A 78 -24.581 -5.792 -14.367 1.00 0.00 C ATOM 1221 CG ARG A 78 -23.143 -6.316 -14.313 1.00 0.00 C ATOM 1222 CD ARG A 78 -23.098 -7.602 -13.485 1.00 0.00 C ATOM 1223 NE ARG A 78 -21.705 -8.107 -13.658 1.00 0.00 N ATOM 1224 CZ ARG A 78 -21.312 -9.173 -13.010 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -21.629 -10.361 -13.454 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -20.603 -9.047 -11.918 1.00 0.00 N ATOM 0 H ARG A 78 -23.571 -3.243 -14.238 1.00 0.00 H new ATOM 0 HA ARG A 78 -24.707 -4.993 -16.417 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -24.884 -5.442 -13.380 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -25.259 -6.601 -14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -22.777 -6.507 -15.322 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.487 -5.565 -13.873 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -23.323 -7.407 -12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -23.830 -8.328 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.060 -7.621 -14.281 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -22.183 -10.456 -14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.323 -11.193 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -20.358 -8.119 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -20.295 -9.877 -11.411 1.00 0.00 H new ATOM 1240 N GLY A 79 -25.985 -2.603 -14.911 1.00 0.00 N ATOM 1241 CA GLY A 79 -27.252 -1.846 -14.681 1.00 0.00 C ATOM 1242 C GLY A 79 -27.320 -0.630 -15.607 1.00 0.00 C ATOM 1243 O GLY A 79 -27.488 -0.760 -16.806 1.00 0.00 O ATOM 0 H GLY A 79 -25.131 -2.048 -14.855 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -28.109 -2.496 -14.859 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -27.307 -1.523 -13.641 1.00 0.00 H new ATOM 1247 N ASP A 80 -27.203 0.554 -15.055 1.00 0.00 N ATOM 1248 CA ASP A 80 -27.272 1.792 -15.895 1.00 0.00 C ATOM 1249 C ASP A 80 -25.958 2.000 -16.658 1.00 0.00 C ATOM 1250 O ASP A 80 -24.888 1.843 -16.099 1.00 0.00 O ATOM 1251 CB ASP A 80 -27.500 2.938 -14.904 1.00 0.00 C ATOM 1252 CG ASP A 80 -28.925 2.863 -14.348 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -29.825 3.361 -15.005 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -29.092 2.310 -13.272 1.00 0.00 O ATOM 0 H ASP A 80 -27.063 0.717 -14.058 1.00 0.00 H new ATOM 0 HA ASP A 80 -28.064 1.732 -16.641 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -26.778 2.877 -14.090 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -27.342 3.896 -15.399 1.00 0.00 H new ATOM 1259 N PRO A 81 -26.084 2.352 -17.920 1.00 0.00 N ATOM 1260 CA PRO A 81 -24.888 2.588 -18.767 1.00 0.00 C ATOM 1261 C PRO A 81 -24.213 3.911 -18.379 1.00 0.00 C ATOM 1262 O PRO A 81 -24.567 4.968 -18.870 1.00 0.00 O ATOM 1263 CB PRO A 81 -25.454 2.657 -20.182 1.00 0.00 C ATOM 1264 CG PRO A 81 -26.878 3.083 -20.000 1.00 0.00 C ATOM 1265 CD PRO A 81 -27.337 2.555 -18.663 1.00 0.00 C ATOM 0 HA PRO A 81 -24.127 1.815 -18.659 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -24.902 3.370 -20.795 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -25.390 1.690 -20.682 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -26.961 4.169 -20.033 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -27.502 2.691 -20.803 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.993 3.263 -18.156 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.895 1.625 -18.770 1.00 0.00 H new ATOM 1273 N THR A 82 -23.244 3.857 -17.501 1.00 0.00 N ATOM 1274 CA THR A 82 -22.538 5.108 -17.077 1.00 0.00 C ATOM 1275 C THR A 82 -21.577 5.562 -18.175 1.00 0.00 C ATOM 1276 O THR A 82 -21.654 6.678 -18.656 1.00 0.00 O ATOM 1277 CB THR A 82 -21.756 4.746 -15.807 1.00 0.00 C ATOM 1278 OG1 THR A 82 -21.294 3.398 -15.883 1.00 0.00 O ATOM 1279 CG2 THR A 82 -22.666 4.923 -14.587 1.00 0.00 C ATOM 0 H THR A 82 -22.910 3.001 -17.058 1.00 0.00 H new ATOM 0 HA THR A 82 -23.239 5.922 -16.894 1.00 0.00 H new ATOM 0 HB THR A 82 -20.892 5.404 -15.713 1.00 0.00 H new ATOM 0 HG1 THR A 82 -21.889 2.819 -15.362 1.00 0.00 H new ATOM 0 HG21 THR A 82 -22.115 4.667 -13.682 1.00 0.00 H new ATOM 0 HG22 THR A 82 -22.999 5.959 -14.528 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.533 4.269 -14.682 1.00 0.00 H new ATOM 1287 N GLY A 83 -20.676 4.704 -18.572 1.00 0.00 N ATOM 1288 CA GLY A 83 -19.708 5.075 -19.636 1.00 0.00 C ATOM 1289 C GLY A 83 -18.850 3.859 -19.991 1.00 0.00 C ATOM 1290 O GLY A 83 -19.262 3.021 -20.770 1.00 0.00 O ATOM 0 H GLY A 83 -20.571 3.759 -18.202 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.240 5.429 -20.519 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.074 5.894 -19.296 1.00 0.00 H new ATOM 1294 N PRO A 84 -17.677 3.809 -19.409 1.00 0.00 N ATOM 1295 CA PRO A 84 -16.734 2.707 -19.657 1.00 0.00 C ATOM 1296 C PRO A 84 -16.809 1.642 -18.549 1.00 0.00 C ATOM 1297 O PRO A 84 -15.961 0.772 -18.465 1.00 0.00 O ATOM 1298 CB PRO A 84 -15.389 3.428 -19.620 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.620 4.661 -18.771 1.00 0.00 C ATOM 1300 CD PRO A 84 -17.101 4.763 -18.471 1.00 0.00 C ATOM 0 HA PRO A 84 -16.929 2.169 -20.585 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.614 2.794 -19.190 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.059 3.697 -20.623 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.049 4.596 -17.845 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.277 5.553 -19.296 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.325 4.501 -17.437 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -17.480 5.772 -18.634 1.00 0.00 H new ATOM 1308 N LYS A 85 -17.810 1.697 -17.703 1.00 0.00 N ATOM 1309 CA LYS A 85 -17.923 0.678 -16.613 1.00 0.00 C ATOM 1310 C LYS A 85 -18.702 -0.545 -17.117 1.00 0.00 C ATOM 1311 O LYS A 85 -18.842 -1.526 -16.416 1.00 0.00 O ATOM 1312 CB LYS A 85 -18.687 1.364 -15.466 1.00 0.00 C ATOM 1313 CG LYS A 85 -18.226 2.820 -15.269 1.00 0.00 C ATOM 1314 CD LYS A 85 -16.698 2.924 -15.345 1.00 0.00 C ATOM 1315 CE LYS A 85 -16.077 2.435 -14.032 1.00 0.00 C ATOM 1316 NZ LYS A 85 -14.664 2.907 -14.094 1.00 0.00 N ATOM 0 H LYS A 85 -18.549 2.399 -17.720 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.944 0.330 -16.284 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.756 1.346 -15.678 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.536 0.806 -14.542 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.676 3.455 -16.032 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.572 3.188 -14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.325 2.328 -16.178 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.404 3.956 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.597 2.849 -13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.130 1.350 -13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.119 2.475 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.246 2.633 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.639 3.942 -13.999 1.00 0.00 H new ATOM 1330 N GLU A 86 -19.207 -0.491 -18.327 1.00 0.00 N ATOM 1331 CA GLU A 86 -19.982 -1.640 -18.886 1.00 0.00 C ATOM 1332 C GLU A 86 -19.035 -2.776 -19.296 1.00 0.00 C ATOM 1333 O GLU A 86 -18.232 -2.567 -20.192 1.00 0.00 O ATOM 1334 CB GLU A 86 -20.710 -1.064 -20.106 1.00 0.00 C ATOM 1335 CG GLU A 86 -21.575 0.124 -19.671 1.00 0.00 C ATOM 1336 CD GLU A 86 -22.462 0.574 -20.834 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -22.008 1.390 -21.619 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -23.581 0.099 -20.918 1.00 0.00 O ATOM 1339 OXT GLU A 86 -19.128 -3.837 -18.702 1.00 0.00 O ATOM 0 H GLU A 86 -19.113 0.308 -18.955 1.00 0.00 H new ATOM 0 HA GLU A 86 -20.677 -2.065 -18.162 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.987 -0.746 -20.857 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.332 -1.831 -20.567 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -22.193 -0.157 -18.818 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.940 0.948 -19.346 1.00 0.00 H new