USER MOD reduce.3.24.130724 H: found=0, std=0, add=1368, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1370 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 26 TYR OH : rot -165:sc= 0.563 USER MOD Set 1.2: B 87 ASN :FLIP amide:sc= 1.05 F(o=0.55,f=1.6) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1.08! C(o=-1.9!,f=-17!) USER MOD Set 2.2: B 86 ASN : amide:sc= -0.81! C(o=-1.9!,f=-8.6!) USER MOD Set 3.1: A 87 ASN : amide:sc= 0.915 K(o=1.6,f=-8.4!) USER MOD Set 3.2: B 26 TYR OH : rot -109:sc= 0.654 USER MOD Set 4.1: A 86 ASN : amide:sc= -5.04! C(o=-13!,f=-28!) USER MOD Set 4.2: B 16 HIS : +bothHN:sc= -8.33! C(o=-13!,f=-36!) USER MOD Set 5.1: A 82 THR OG1 : rot 72:sc= 0.556 USER MOD Set 5.2: B 8 MET CE :methyl -141:sc= -4.33! (180deg=-7.1!) USER MOD Set 6.1: A 8 MET CE :methyl -134:sc= -5.13! (180deg=-7.19!) USER MOD Set 6.2: B 82 THR OG1 : rot 62:sc= 0.384 USER MOD Single : A 2 SER OG : rot -144:sc= 0.606 USER MOD Single : A 6 THR OG1 : rot 78:sc= 0.851 USER MOD Single : A 10 THR OG1 : rot 80:sc= 1.01 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.637 F(o=-1.2,f=-0.64) USER MOD Single : A 18 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-9.8!) USER MOD Single : A 19 SER OG : rot -15:sc= 1.08 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0.913) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0.753 (180deg=0.341) USER MOD Single : A 29 SER OG : rot 19:sc= 0.65 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0.381! (180deg=-0.12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.366 K(o=0.37,f=-0.74) USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.716 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.15! C(o=-3.1!,f=-6!) USER MOD Single : A 49 LYS NZ :NH3+ 130:sc= 0.676 (180deg=-0.339!) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0318 (180deg=-0.345) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.75! (180deg=-5.08!) USER MOD Single : A 64 ASN : amide:sc= -0.387! K(o=-0.39!,f=-1) USER MOD Single : A 72 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.71) USER MOD Single : A 74 TYR OH : rot 130:sc= -1.54 USER MOD Single : A 85 MET CE :methyl -165:sc= -2.99 (180deg=-4.07!) USER MOD Single : B 2 SER OG : rot -114:sc= 0.163 USER MOD Single : B 6 THR OG1 : rot 180:sc=0.000659 USER MOD Single : B 10 THR OG1 : rot 81:sc= 0.806 USER MOD Single : B 13 ASN : amide:sc= -2.53! X(o=-2.5!,f=-2.1) USER MOD Single : B 18 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-13!) USER MOD Single : B 19 SER OG : rot -25:sc= 0.474 USER MOD Single : B 21 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.15) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ -165:sc= -0.616 (180deg=-2.15!) USER MOD Single : B 29 SER OG : rot -86:sc= 0.845 USER MOD Single : B 30 LYS NZ :NH3+ -152:sc= -0.546! (180deg=-5.11!) USER MOD Single : B 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0234) USER MOD Single : B 34 LYS NZ :NH3+ -105:sc= -0.0594 (180deg=-0.784!) USER MOD Single : B 38 GLN : amide:sc= 0.69 K(o=0.69,f=-0.31) USER MOD Single : B 39 THR OG1 : rot 70:sc= 0.845 USER MOD Single : B 42 SER OG : rot 97:sc= 0.881 USER MOD Single : B 48 GLN : amide:sc= -4.05! C(o=-4!,f=-5.8!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0396) USER MOD Single : B 58 MET CE :methyl 154:sc= -0.184 (180deg=-1.09) USER MOD Single : B 59 LYS NZ :NH3+ 151:sc= 0.685! (180deg=-1.98!) USER MOD Single : B 64 ASN : amide:sc= -0.685 K(o=-0.69,f=-2.5!) USER MOD Single : B 72 GLN : amide:sc= -5.99! C(o=-6!,f=-9.2!) USER MOD Single : B 74 TYR OH : rot -60:sc= -0.887 USER MOD Single : B 85 MET CE :methyl -153:sc= -2.05 (180deg=-4.74!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -10.263 3.961 10.333 1.00 0.00 N ATOM 9 CA SER A 2 -9.706 2.726 10.852 1.00 0.00 C ATOM 10 C SER A 2 -8.187 2.788 10.893 1.00 0.00 C ATOM 11 O SER A 2 -7.565 3.638 10.238 1.00 0.00 O ATOM 12 CB SER A 2 -10.128 1.553 9.981 1.00 0.00 C ATOM 13 OG SER A 2 -11.437 1.121 10.336 1.00 0.00 O ATOM 0 HA SER A 2 -10.084 2.591 11.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.106 1.844 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.422 0.731 10.099 1.00 0.00 H new ATOM 0 HG SER A 2 -11.494 0.146 10.251 1.00 0.00 H new ATOM 19 N GLU A 3 -7.585 1.827 11.581 1.00 0.00 N ATOM 20 CA GLU A 3 -6.141 1.726 11.634 1.00 0.00 C ATOM 21 C GLU A 3 -5.625 1.655 10.222 1.00 0.00 C ATOM 22 O GLU A 3 -4.622 2.266 9.880 1.00 0.00 O ATOM 23 CB GLU A 3 -5.724 0.432 12.351 1.00 0.00 C ATOM 24 CG GLU A 3 -6.431 0.304 13.698 1.00 0.00 C ATOM 25 CD GLU A 3 -7.766 -0.394 13.515 1.00 0.00 C ATOM 26 OE1 GLU A 3 -8.715 0.274 13.173 1.00 0.00 O ATOM 27 OE2 GLU A 3 -7.821 -1.590 13.695 1.00 0.00 O ATOM 0 H GLU A 3 -8.079 1.108 12.109 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.739 2.587 12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.964 -0.428 11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.644 0.426 12.500 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.809 -0.259 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.583 1.291 14.134 1.00 0.00 H new ATOM 34 N LEU A 4 -6.340 0.908 9.402 1.00 0.00 N ATOM 35 CA LEU A 4 -5.965 0.720 8.018 1.00 0.00 C ATOM 36 C LEU A 4 -5.981 2.066 7.322 1.00 0.00 C ATOM 37 O LEU A 4 -5.024 2.445 6.653 1.00 0.00 O ATOM 38 CB LEU A 4 -6.992 -0.190 7.323 1.00 0.00 C ATOM 39 CG LEU A 4 -6.788 -1.678 7.694 1.00 0.00 C ATOM 40 CD1 LEU A 4 -5.376 -2.143 7.344 1.00 0.00 C ATOM 41 CD2 LEU A 4 -7.056 -1.899 9.187 1.00 0.00 C ATOM 0 H LEU A 4 -7.192 0.418 9.677 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.974 0.269 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.999 0.119 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.910 -0.071 6.243 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.498 -2.268 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.261 -3.192 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.209 -2.025 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.649 -1.544 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.908 -2.951 9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.369 -1.290 9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.082 -1.614 9.419 1.00 0.00 H new ATOM 53 N GLU A 5 -7.036 2.824 7.572 1.00 0.00 N ATOM 54 CA GLU A 5 -7.174 4.140 6.989 1.00 0.00 C ATOM 55 C GLU A 5 -6.098 5.056 7.531 1.00 0.00 C ATOM 56 O GLU A 5 -5.392 5.722 6.772 1.00 0.00 O ATOM 57 CB GLU A 5 -8.565 4.699 7.306 1.00 0.00 C ATOM 58 CG GLU A 5 -9.616 3.867 6.558 1.00 0.00 C ATOM 59 CD GLU A 5 -11.024 4.341 6.888 1.00 0.00 C ATOM 60 OE1 GLU A 5 -11.310 4.515 8.050 1.00 0.00 O ATOM 61 OE2 GLU A 5 -11.795 4.538 5.971 1.00 0.00 O ATOM 0 H GLU A 5 -7.809 2.546 8.177 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.061 4.073 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.750 4.664 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.629 5.745 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.446 3.941 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.510 2.816 6.826 1.00 0.00 H new ATOM 68 N THR A 6 -5.905 5.008 8.826 1.00 0.00 N ATOM 69 CA THR A 6 -4.860 5.776 9.455 1.00 0.00 C ATOM 70 C THR A 6 -3.492 5.320 8.956 1.00 0.00 C ATOM 71 O THR A 6 -2.651 6.140 8.566 1.00 0.00 O ATOM 72 CB THR A 6 -4.964 5.637 10.967 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.314 5.880 11.353 1.00 0.00 O ATOM 74 CG2 THR A 6 -4.050 6.656 11.644 1.00 0.00 C ATOM 0 H THR A 6 -6.461 4.442 9.467 1.00 0.00 H new ATOM 0 HA THR A 6 -4.978 6.827 9.193 1.00 0.00 H new ATOM 0 HB THR A 6 -4.661 4.634 11.268 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.856 5.086 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.128 6.552 12.726 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.019 6.481 11.336 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.349 7.663 11.353 1.00 0.00 H new ATOM 82 N ALA A 7 -3.290 4.011 8.910 1.00 0.00 N ATOM 83 CA ALA A 7 -2.037 3.459 8.417 1.00 0.00 C ATOM 84 C ALA A 7 -1.778 3.966 7.014 1.00 0.00 C ATOM 85 O ALA A 7 -0.710 4.517 6.728 1.00 0.00 O ATOM 86 CB ALA A 7 -2.085 1.928 8.409 1.00 0.00 C ATOM 0 H ALA A 7 -3.974 3.315 9.206 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.232 3.778 9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.138 1.536 8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.255 1.564 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.896 1.593 7.762 1.00 0.00 H new ATOM 92 N MET A 8 -2.786 3.859 6.161 1.00 0.00 N ATOM 93 CA MET A 8 -2.664 4.363 4.805 1.00 0.00 C ATOM 94 C MET A 8 -2.495 5.877 4.811 1.00 0.00 C ATOM 95 O MET A 8 -1.661 6.426 4.083 1.00 0.00 O ATOM 96 CB MET A 8 -3.881 3.971 3.958 1.00 0.00 C ATOM 97 CG MET A 8 -3.978 2.439 3.839 1.00 0.00 C ATOM 98 SD MET A 8 -2.431 1.780 3.168 1.00 0.00 S ATOM 99 CE MET A 8 -2.527 2.563 1.546 1.00 0.00 C ATOM 0 H MET A 8 -3.686 3.433 6.381 1.00 0.00 H new ATOM 0 HA MET A 8 -1.778 3.911 4.359 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.790 4.366 4.411 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.801 4.415 2.966 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.178 2.001 4.817 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.812 2.167 3.192 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.290 1.831 0.774 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.535 2.946 1.386 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.814 3.386 1.496 1.00 0.00 H new ATOM 109 N GLU A 9 -3.253 6.556 5.669 1.00 0.00 N ATOM 110 CA GLU A 9 -3.153 8.001 5.750 1.00 0.00 C ATOM 111 C GLU A 9 -1.773 8.406 6.238 1.00 0.00 C ATOM 112 O GLU A 9 -1.172 9.356 5.730 1.00 0.00 O ATOM 113 CB GLU A 9 -4.237 8.608 6.648 1.00 0.00 C ATOM 114 CG GLU A 9 -4.178 10.140 6.529 1.00 0.00 C ATOM 115 CD GLU A 9 -5.350 10.777 7.227 1.00 0.00 C ATOM 116 OE1 GLU A 9 -5.358 10.790 8.428 1.00 0.00 O ATOM 117 OE2 GLU A 9 -6.216 11.266 6.550 1.00 0.00 O ATOM 0 H GLU A 9 -3.930 6.134 6.305 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.309 8.394 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.221 8.244 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.084 8.304 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.248 10.507 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.175 10.428 5.478 1.00 0.00 H new ATOM 124 N THR A 10 -1.244 7.655 7.181 1.00 0.00 N ATOM 125 CA THR A 10 0.077 7.939 7.692 1.00 0.00 C ATOM 126 C THR A 10 1.067 7.921 6.530 1.00 0.00 C ATOM 127 O THR A 10 1.855 8.855 6.357 1.00 0.00 O ATOM 128 CB THR A 10 0.461 6.905 8.760 1.00 0.00 C ATOM 129 OG1 THR A 10 -0.625 6.754 9.673 1.00 0.00 O ATOM 130 CG2 THR A 10 1.697 7.388 9.532 1.00 0.00 C ATOM 0 H THR A 10 -1.705 6.850 7.605 1.00 0.00 H new ATOM 0 HA THR A 10 0.095 8.923 8.160 1.00 0.00 H new ATOM 0 HB THR A 10 0.683 5.953 8.278 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.300 6.160 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.965 6.650 10.288 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.530 7.518 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.475 8.339 10.016 1.00 0.00 H new ATOM 138 N LEU A 11 0.928 6.930 5.660 1.00 0.00 N ATOM 139 CA LEU A 11 1.747 6.872 4.455 1.00 0.00 C ATOM 140 C LEU A 11 1.455 8.089 3.573 1.00 0.00 C ATOM 141 O LEU A 11 2.372 8.716 3.035 1.00 0.00 O ATOM 142 CB LEU A 11 1.480 5.578 3.668 1.00 0.00 C ATOM 143 CG LEU A 11 1.991 4.348 4.445 1.00 0.00 C ATOM 144 CD1 LEU A 11 1.455 3.072 3.788 1.00 0.00 C ATOM 145 CD2 LEU A 11 3.528 4.302 4.424 1.00 0.00 C ATOM 0 H LEU A 11 0.264 6.163 5.763 1.00 0.00 H new ATOM 0 HA LEU A 11 2.796 6.880 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.411 5.476 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.972 5.630 2.697 1.00 0.00 H new ATOM 0 HG LEU A 11 1.644 4.419 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.815 2.202 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.365 3.085 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.803 3.020 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.873 3.428 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.876 4.240 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.925 5.205 4.888 1.00 0.00 H new ATOM 157 N ILE A 12 0.179 8.452 3.477 1.00 0.00 N ATOM 158 CA ILE A 12 -0.232 9.617 2.695 1.00 0.00 C ATOM 159 C ILE A 12 0.395 10.878 3.285 1.00 0.00 C ATOM 160 O ILE A 12 0.895 11.741 2.552 1.00 0.00 O ATOM 161 CB ILE A 12 -1.780 9.748 2.709 1.00 0.00 C ATOM 162 CG1 ILE A 12 -2.444 8.606 1.925 1.00 0.00 C ATOM 163 CG2 ILE A 12 -2.213 11.089 2.117 1.00 0.00 C ATOM 164 CD1 ILE A 12 -2.244 8.806 0.413 1.00 0.00 C ATOM 0 H ILE A 12 -0.589 7.957 3.930 1.00 0.00 H new ATOM 0 HA ILE A 12 0.105 9.492 1.666 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.102 9.691 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.018 7.651 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.509 8.569 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.300 11.161 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.785 11.901 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.862 11.162 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.720 7.989 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.692 9.752 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.178 8.819 0.186 1.00 0.00 H new ATOM 176 N ASN A 13 0.366 10.981 4.603 1.00 0.00 N ATOM 177 CA ASN A 13 0.895 12.160 5.277 1.00 0.00 C ATOM 178 C ASN A 13 2.370 12.301 4.961 1.00 0.00 C ATOM 179 O ASN A 13 2.840 13.379 4.582 1.00 0.00 O ATOM 180 CB ASN A 13 0.751 11.997 6.790 1.00 0.00 C ATOM 181 CG ASN A 13 -0.710 11.985 7.211 1.00 0.00 C ATOM 182 OD1 ASN A 13 -1.076 11.203 8.178 1.00 0.00 O flip ATOM 183 ND2 ASN A 13 -1.546 12.686 6.629 1.00 0.00 N flip ATOM 0 H ASN A 13 -0.015 10.269 5.226 1.00 0.00 H new ATOM 0 HA ASN A 13 0.344 13.037 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.229 11.069 7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.270 12.811 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.256 13.301 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.526 12.650 6.909 1.00 0.00 H new ATOM 190 N VAL A 14 3.087 11.192 5.038 1.00 0.00 N ATOM 191 CA VAL A 14 4.496 11.186 4.697 1.00 0.00 C ATOM 192 C VAL A 14 4.674 11.436 3.209 1.00 0.00 C ATOM 193 O VAL A 14 5.558 12.190 2.790 1.00 0.00 O ATOM 194 CB VAL A 14 5.147 9.858 5.112 1.00 0.00 C ATOM 195 CG1 VAL A 14 6.617 9.838 4.678 1.00 0.00 C ATOM 196 CG2 VAL A 14 5.065 9.706 6.636 1.00 0.00 C ATOM 0 H VAL A 14 2.716 10.289 5.333 1.00 0.00 H new ATOM 0 HA VAL A 14 4.993 11.988 5.243 1.00 0.00 H new ATOM 0 HB VAL A 14 4.620 9.035 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.072 8.893 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.678 9.945 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.148 10.662 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.526 8.764 6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.590 10.534 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.020 9.712 6.947 1.00 0.00 H new ATOM 206 N PHE A 15 3.850 10.778 2.413 1.00 0.00 N ATOM 207 CA PHE A 15 3.946 10.896 0.971 1.00 0.00 C ATOM 208 C PHE A 15 3.783 12.352 0.547 1.00 0.00 C ATOM 209 O PHE A 15 4.627 12.897 -0.168 1.00 0.00 O ATOM 210 CB PHE A 15 2.871 10.032 0.307 1.00 0.00 C ATOM 211 CG PHE A 15 3.011 10.108 -1.191 1.00 0.00 C ATOM 212 CD1 PHE A 15 3.927 9.279 -1.849 1.00 0.00 C ATOM 213 CD2 PHE A 15 2.234 11.008 -1.922 1.00 0.00 C ATOM 214 CE1 PHE A 15 4.061 9.351 -3.237 1.00 0.00 C ATOM 215 CE2 PHE A 15 2.371 11.079 -3.307 1.00 0.00 C ATOM 216 CZ PHE A 15 3.283 10.253 -3.966 1.00 0.00 C ATOM 0 H PHE A 15 3.109 10.158 2.741 1.00 0.00 H new ATOM 0 HA PHE A 15 4.929 10.549 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.966 8.998 0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.880 10.373 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.530 8.584 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.528 11.649 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.765 8.710 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.770 11.775 -3.872 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.387 10.311 -5.039 1.00 0.00 H new ATOM 226 N HIS A 16 2.759 13.013 1.078 1.00 0.00 N ATOM 227 CA HIS A 16 2.544 14.427 0.768 1.00 0.00 C ATOM 228 C HIS A 16 3.705 15.264 1.237 1.00 0.00 C ATOM 229 O HIS A 16 4.080 16.248 0.580 1.00 0.00 O ATOM 230 CB HIS A 16 1.244 14.958 1.373 1.00 0.00 C ATOM 231 CG HIS A 16 0.085 14.467 0.570 1.00 0.00 C ATOM 232 ND1 HIS A 16 0.019 14.623 -0.805 1.00 0.00 N ATOM 233 CD2 HIS A 16 -1.062 13.826 0.930 1.00 0.00 C ATOM 234 CE1 HIS A 16 -1.137 14.078 -1.216 1.00 0.00 C ATOM 235 NE2 HIS A 16 -1.833 13.578 -0.198 1.00 0.00 N ATOM 0 H HIS A 16 2.075 12.604 1.714 1.00 0.00 H new ATOM 0 HA HIS A 16 2.464 14.502 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 16 1.150 14.627 2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.255 16.048 1.387 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.331 13.552 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.462 14.049 -2.246 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.739 13.112 -0.238 1.00 0.00 H new ATOM 244 N ALA A 17 4.280 14.883 2.365 1.00 0.00 N ATOM 245 CA ALA A 17 5.403 15.617 2.908 1.00 0.00 C ATOM 246 C ALA A 17 6.455 15.779 1.833 1.00 0.00 C ATOM 247 O ALA A 17 6.883 16.896 1.530 1.00 0.00 O ATOM 248 CB ALA A 17 6.000 14.871 4.104 1.00 0.00 C ATOM 0 H ALA A 17 3.989 14.076 2.917 1.00 0.00 H new ATOM 0 HA ALA A 17 5.062 16.596 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.843 15.436 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.241 14.759 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.341 13.886 3.785 1.00 0.00 H new ATOM 254 N HIS A 18 6.807 14.673 1.204 1.00 0.00 N ATOM 255 CA HIS A 18 7.754 14.697 0.105 1.00 0.00 C ATOM 256 C HIS A 18 7.168 15.364 -1.137 1.00 0.00 C ATOM 257 O HIS A 18 7.845 16.142 -1.793 1.00 0.00 O ATOM 258 CB HIS A 18 8.267 13.300 -0.208 1.00 0.00 C ATOM 259 CG HIS A 18 9.088 12.814 0.955 1.00 0.00 C ATOM 260 ND1 HIS A 18 10.390 13.257 1.191 1.00 0.00 N ATOM 261 CD2 HIS A 18 8.799 11.940 1.976 1.00 0.00 C ATOM 262 CE1 HIS A 18 10.820 12.648 2.318 1.00 0.00 C ATOM 263 NE2 HIS A 18 9.890 11.838 2.834 1.00 0.00 N ATOM 0 H HIS A 18 6.451 13.746 1.436 1.00 0.00 H new ATOM 0 HA HIS A 18 8.603 15.302 0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.432 12.623 -0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.870 13.314 -1.116 1.00 0.00 H new ATOM 0 HD1 HIS A 18 10.918 13.917 0.620 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.865 11.411 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.798 12.798 2.750 1.00 0.00 H new ATOM 272 N SER A 19 5.896 15.111 -1.431 1.00 0.00 N ATOM 273 CA SER A 19 5.279 15.744 -2.603 1.00 0.00 C ATOM 274 C SER A 19 5.486 17.253 -2.557 1.00 0.00 C ATOM 275 O SER A 19 5.769 17.886 -3.576 1.00 0.00 O ATOM 276 CB SER A 19 3.784 15.416 -2.705 1.00 0.00 C ATOM 277 OG SER A 19 3.596 14.004 -2.714 1.00 0.00 O ATOM 0 H SER A 19 5.285 14.493 -0.897 1.00 0.00 H new ATOM 0 HA SER A 19 5.767 15.342 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.248 15.857 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.368 15.853 -3.613 1.00 0.00 H new ATOM 0 HG SER A 19 4.453 13.561 -2.889 1.00 0.00 H new ATOM 283 N GLY A 20 5.425 17.816 -1.361 1.00 0.00 N ATOM 284 CA GLY A 20 5.654 19.245 -1.191 1.00 0.00 C ATOM 285 C GLY A 20 7.020 19.642 -1.745 1.00 0.00 C ATOM 286 O GLY A 20 7.237 20.788 -2.134 1.00 0.00 O ATOM 0 H GLY A 20 5.221 17.311 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.872 19.807 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.595 19.505 -0.134 1.00 0.00 H new ATOM 290 N LYS A 21 7.934 18.689 -1.784 1.00 0.00 N ATOM 291 CA LYS A 21 9.284 18.930 -2.284 1.00 0.00 C ATOM 292 C LYS A 21 9.245 19.270 -3.767 1.00 0.00 C ATOM 293 O LYS A 21 10.081 20.032 -4.268 1.00 0.00 O ATOM 294 CB LYS A 21 10.121 17.664 -2.118 1.00 0.00 C ATOM 295 CG LYS A 21 10.184 17.245 -0.644 1.00 0.00 C ATOM 296 CD LYS A 21 10.951 18.267 0.178 1.00 0.00 C ATOM 297 CE LYS A 21 11.050 17.758 1.620 1.00 0.00 C ATOM 298 NZ LYS A 21 12.257 16.897 1.760 1.00 0.00 N ATOM 0 H LYS A 21 7.768 17.732 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 21 9.716 19.758 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.691 16.858 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.129 17.836 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.174 17.139 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.664 16.270 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.947 18.418 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.444 19.232 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.108 18.599 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.155 17.193 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.441 16.718 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.097 15.993 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.077 17.378 1.339 1.00 0.00 H new ATOM 312 N GLU A 22 8.408 18.542 -4.488 1.00 0.00 N ATOM 313 CA GLU A 22 8.386 18.593 -5.944 1.00 0.00 C ATOM 314 C GLU A 22 7.070 19.156 -6.486 1.00 0.00 C ATOM 315 O GLU A 22 7.044 19.777 -7.553 1.00 0.00 O ATOM 316 CB GLU A 22 8.665 17.191 -6.484 1.00 0.00 C ATOM 317 CG GLU A 22 7.573 16.233 -5.992 1.00 0.00 C ATOM 318 CD GLU A 22 8.078 14.823 -6.074 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.813 14.431 -5.190 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.757 14.156 -7.040 1.00 0.00 O ATOM 0 H GLU A 22 7.726 17.900 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 22 9.162 19.278 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.688 17.206 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.644 16.848 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.297 16.474 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.674 16.346 -6.598 1.00 0.00 H new ATOM 327 N GLY A 23 5.995 18.980 -5.743 1.00 0.00 N ATOM 328 CA GLY A 23 4.701 19.528 -6.138 1.00 0.00 C ATOM 329 C GLY A 23 3.936 18.601 -7.077 1.00 0.00 C ATOM 330 O GLY A 23 3.544 17.497 -6.686 1.00 0.00 O ATOM 0 H GLY A 23 5.986 18.464 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.101 19.713 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.852 20.491 -6.626 1.00 0.00 H new ATOM 334 N ASP A 24 3.609 19.116 -8.272 1.00 0.00 N ATOM 335 CA ASP A 24 2.741 18.413 -9.230 1.00 0.00 C ATOM 336 C ASP A 24 1.350 18.240 -8.633 1.00 0.00 C ATOM 337 O ASP A 24 0.406 18.942 -9.007 1.00 0.00 O ATOM 338 CB ASP A 24 3.330 17.044 -9.626 1.00 0.00 C ATOM 339 CG ASP A 24 2.465 16.378 -10.678 1.00 0.00 C ATOM 340 OD1 ASP A 24 2.176 17.015 -11.671 1.00 0.00 O ATOM 341 OD2 ASP A 24 2.104 15.236 -10.487 1.00 0.00 O ATOM 0 H ASP A 24 3.936 20.025 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 24 2.673 19.016 -10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.342 17.174 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.401 16.404 -8.747 1.00 0.00 H new ATOM 346 N LYS A 25 1.283 17.415 -7.610 1.00 0.00 N ATOM 347 CA LYS A 25 0.092 17.227 -6.789 1.00 0.00 C ATOM 348 C LYS A 25 0.397 16.223 -5.696 1.00 0.00 C ATOM 349 O LYS A 25 0.954 16.574 -4.651 1.00 0.00 O ATOM 350 CB LYS A 25 -1.154 16.798 -7.607 1.00 0.00 C ATOM 351 CG LYS A 25 -0.769 15.999 -8.872 1.00 0.00 C ATOM 352 CD LYS A 25 -1.578 16.514 -10.076 1.00 0.00 C ATOM 353 CE LYS A 25 -3.050 16.079 -9.966 1.00 0.00 C ATOM 354 NZ LYS A 25 -3.923 17.283 -10.002 1.00 0.00 N ATOM 0 H LYS A 25 2.071 16.839 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.163 18.191 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.808 16.192 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.720 17.683 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.298 16.101 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.964 14.938 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.517 17.601 -10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.148 16.130 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.305 15.407 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.210 15.527 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.919 16.992 -9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.685 17.908 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.777 17.791 -10.897 1.00 0.00 H new ATOM 368 N TYR A 26 0.202 14.957 -6.009 1.00 0.00 N ATOM 369 CA TYR A 26 0.623 13.885 -5.126 1.00 0.00 C ATOM 370 C TYR A 26 1.715 13.129 -5.822 1.00 0.00 C ATOM 371 O TYR A 26 1.450 12.242 -6.643 1.00 0.00 O ATOM 372 CB TYR A 26 -0.551 12.941 -4.795 1.00 0.00 C ATOM 373 CG TYR A 26 -1.854 13.570 -5.232 1.00 0.00 C ATOM 374 CD1 TYR A 26 -2.280 14.780 -4.666 1.00 0.00 C ATOM 375 CD2 TYR A 26 -2.631 12.946 -6.213 1.00 0.00 C ATOM 376 CE1 TYR A 26 -3.476 15.358 -5.083 1.00 0.00 C ATOM 377 CE2 TYR A 26 -3.828 13.527 -6.626 1.00 0.00 C ATOM 378 CZ TYR A 26 -4.248 14.733 -6.063 1.00 0.00 C ATOM 379 OH TYR A 26 -5.422 15.302 -6.469 1.00 0.00 O ATOM 0 H TYR A 26 -0.246 14.644 -6.870 1.00 0.00 H new ATOM 0 HA TYR A 26 0.978 14.300 -4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.412 11.984 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.576 12.738 -3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.681 15.263 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.303 12.014 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.806 16.290 -4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.431 13.044 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.951 14.642 -6.964 1.00 0.00 H new ATOM 389 N LYS A 27 2.935 13.499 -5.522 1.00 0.00 N ATOM 390 CA LYS A 27 4.082 12.911 -6.154 1.00 0.00 C ATOM 391 C LYS A 27 5.209 12.710 -5.213 1.00 0.00 C ATOM 392 O LYS A 27 5.365 13.436 -4.235 1.00 0.00 O ATOM 393 CB LYS A 27 4.559 13.740 -7.342 1.00 0.00 C ATOM 394 CG LYS A 27 3.593 13.586 -8.505 1.00 0.00 C ATOM 395 CD LYS A 27 3.576 12.105 -8.913 1.00 0.00 C ATOM 396 CE LYS A 27 3.166 11.935 -10.378 1.00 0.00 C ATOM 397 NZ LYS A 27 3.333 13.212 -11.128 1.00 0.00 N ATOM 0 H LYS A 27 3.157 14.217 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 27 3.754 11.934 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.634 14.789 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.557 13.420 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.594 13.914 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.903 14.209 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.564 11.672 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.883 11.558 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.770 11.155 -10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.127 11.609 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.147 13.048 -12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.664 13.919 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.305 13.561 -11.007 1.00 0.00 H new ATOM 411 N LEU A 28 6.033 11.780 -5.566 1.00 0.00 N ATOM 412 CA LEU A 28 7.245 11.534 -4.880 1.00 0.00 C ATOM 413 C LEU A 28 8.331 11.304 -5.913 1.00 0.00 C ATOM 414 O LEU A 28 8.210 10.422 -6.757 1.00 0.00 O ATOM 415 CB LEU A 28 7.062 10.316 -3.990 1.00 0.00 C ATOM 416 CG LEU A 28 8.387 9.907 -3.358 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.824 10.951 -2.339 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.219 8.554 -2.683 1.00 0.00 C ATOM 0 H LEU A 28 5.873 11.159 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 28 7.528 12.378 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.334 10.536 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.662 9.488 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 28 9.153 9.836 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.772 10.650 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.946 11.914 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.067 11.037 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.163 8.254 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.451 8.625 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.922 7.812 -3.424 1.00 0.00 H new ATOM 430 N SER A 29 9.320 12.154 -5.928 1.00 0.00 N ATOM 431 CA SER A 29 10.367 12.058 -6.913 1.00 0.00 C ATOM 432 C SER A 29 11.444 11.093 -6.454 1.00 0.00 C ATOM 433 O SER A 29 11.590 10.821 -5.250 1.00 0.00 O ATOM 434 CB SER A 29 10.944 13.430 -7.227 1.00 0.00 C ATOM 435 OG SER A 29 10.028 14.157 -8.038 1.00 0.00 O ATOM 0 H SER A 29 9.425 12.924 -5.268 1.00 0.00 H new ATOM 0 HA SER A 29 9.938 11.665 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.139 13.974 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.899 13.325 -7.743 1.00 0.00 H new ATOM 0 HG SER A 29 9.136 13.759 -7.961 1.00 0.00 H new ATOM 441 N LYS A 30 12.206 10.579 -7.400 1.00 0.00 N ATOM 442 CA LYS A 30 13.256 9.614 -7.089 1.00 0.00 C ATOM 443 C LYS A 30 14.344 10.268 -6.248 1.00 0.00 C ATOM 444 O LYS A 30 15.226 9.594 -5.728 1.00 0.00 O ATOM 445 CB LYS A 30 13.864 9.042 -8.381 1.00 0.00 C ATOM 446 CG LYS A 30 12.764 8.416 -9.256 1.00 0.00 C ATOM 447 CD LYS A 30 12.142 7.191 -8.542 1.00 0.00 C ATOM 448 CE LYS A 30 12.828 5.877 -8.981 1.00 0.00 C ATOM 449 NZ LYS A 30 13.571 6.060 -10.268 1.00 0.00 N ATOM 0 H LYS A 30 12.122 10.810 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 30 12.812 8.797 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.372 9.833 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.615 8.291 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.991 9.155 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.182 8.113 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.236 7.310 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.076 7.140 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.517 5.546 -8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.079 5.094 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.936 5.142 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.929 6.450 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.365 6.715 -10.120 1.00 0.00 H new ATOM 463 N LYS A 31 14.225 11.567 -6.054 1.00 0.00 N ATOM 464 CA LYS A 31 15.148 12.293 -5.192 1.00 0.00 C ATOM 465 C LYS A 31 14.753 12.070 -3.741 1.00 0.00 C ATOM 466 O LYS A 31 15.527 11.553 -2.938 1.00 0.00 O ATOM 467 CB LYS A 31 15.125 13.809 -5.504 1.00 0.00 C ATOM 468 CG LYS A 31 13.912 14.167 -6.378 1.00 0.00 C ATOM 469 CD LYS A 31 13.906 15.658 -6.697 1.00 0.00 C ATOM 470 CE LYS A 31 12.707 15.980 -7.600 1.00 0.00 C ATOM 471 NZ LYS A 31 12.757 17.413 -7.984 1.00 0.00 N ATOM 0 H LYS A 31 13.500 12.144 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 31 16.157 11.922 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.089 14.376 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.044 14.094 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.940 13.591 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.991 13.896 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.848 16.238 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.835 15.939 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.728 15.352 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.775 15.763 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.947 17.637 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.718 18.003 -7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.641 17.604 -8.497 1.00 0.00 H new ATOM 485 N GLU A 32 13.519 12.422 -3.436 1.00 0.00 N ATOM 486 CA GLU A 32 12.958 12.247 -2.112 1.00 0.00 C ATOM 487 C GLU A 32 12.715 10.771 -1.804 1.00 0.00 C ATOM 488 O GLU A 32 12.834 10.348 -0.662 1.00 0.00 O ATOM 489 CB GLU A 32 11.642 13.023 -2.000 1.00 0.00 C ATOM 490 CG GLU A 32 11.902 14.537 -2.100 1.00 0.00 C ATOM 491 CD GLU A 32 12.694 15.036 -0.904 1.00 0.00 C ATOM 492 OE1 GLU A 32 12.252 14.827 0.213 1.00 0.00 O ATOM 493 OE2 GLU A 32 13.719 15.639 -1.113 1.00 0.00 O ATOM 0 H GLU A 32 12.873 12.841 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 32 13.674 12.632 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.960 12.712 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.156 12.793 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.447 14.756 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.953 15.069 -2.159 1.00 0.00 H new ATOM 500 N LEU A 33 12.276 10.011 -2.808 1.00 0.00 N ATOM 501 CA LEU A 33 11.861 8.623 -2.577 1.00 0.00 C ATOM 502 C LEU A 33 12.989 7.798 -1.996 1.00 0.00 C ATOM 503 O LEU A 33 12.792 7.067 -1.018 1.00 0.00 O ATOM 504 CB LEU A 33 11.375 7.981 -3.898 1.00 0.00 C ATOM 505 CG LEU A 33 11.050 6.464 -3.745 1.00 0.00 C ATOM 506 CD1 LEU A 33 12.333 5.627 -3.841 1.00 0.00 C ATOM 507 CD2 LEU A 33 10.322 6.159 -2.420 1.00 0.00 C ATOM 0 H LEU A 33 12.198 10.325 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 33 11.042 8.639 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.485 8.506 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.141 8.109 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 33 10.381 6.195 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.087 4.571 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.803 5.792 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.021 5.923 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.115 5.091 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.952 6.458 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.384 6.713 -2.385 1.00 0.00 H new ATOM 519 N LYS A 34 14.174 7.929 -2.563 1.00 0.00 N ATOM 520 CA LYS A 34 15.295 7.155 -2.076 1.00 0.00 C ATOM 521 C LYS A 34 15.566 7.490 -0.626 1.00 0.00 C ATOM 522 O LYS A 34 15.688 6.600 0.215 1.00 0.00 O ATOM 523 CB LYS A 34 16.554 7.385 -2.934 1.00 0.00 C ATOM 524 CG LYS A 34 17.040 8.834 -2.770 1.00 0.00 C ATOM 525 CD LYS A 34 18.275 9.088 -3.638 1.00 0.00 C ATOM 526 CE LYS A 34 18.742 10.540 -3.426 1.00 0.00 C ATOM 527 NZ LYS A 34 19.967 10.802 -4.216 1.00 0.00 N ATOM 0 H LYS A 34 14.381 8.551 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 34 15.037 6.099 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.340 6.692 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.333 7.183 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.244 9.524 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.278 9.028 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.072 8.393 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.039 8.917 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.953 11.231 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.938 10.716 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.274 11.784 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.721 10.154 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.768 10.652 -5.226 1.00 0.00 H new ATOM 541 N GLU A 35 15.578 8.780 -0.326 1.00 0.00 N ATOM 542 CA GLU A 35 15.766 9.235 1.032 1.00 0.00 C ATOM 543 C GLU A 35 14.581 8.820 1.875 1.00 0.00 C ATOM 544 O GLU A 35 14.741 8.297 2.970 1.00 0.00 O ATOM 545 CB GLU A 35 15.907 10.758 1.062 1.00 0.00 C ATOM 546 CG GLU A 35 17.238 11.182 0.419 1.00 0.00 C ATOM 547 CD GLU A 35 17.344 12.702 0.359 1.00 0.00 C ATOM 548 OE1 GLU A 35 16.390 13.369 0.712 1.00 0.00 O ATOM 549 OE2 GLU A 35 18.382 13.184 -0.029 1.00 0.00 O ATOM 0 H GLU A 35 15.459 9.527 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 35 16.674 8.786 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.075 11.218 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.862 11.114 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.071 10.776 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.311 10.767 -0.586 1.00 0.00 H new ATOM 556 N LEU A 36 13.401 9.014 1.343 1.00 0.00 N ATOM 557 CA LEU A 36 12.183 8.679 2.047 1.00 0.00 C ATOM 558 C LEU A 36 12.113 7.199 2.377 1.00 0.00 C ATOM 559 O LEU A 36 11.832 6.823 3.519 1.00 0.00 O ATOM 560 CB LEU A 36 10.979 9.100 1.172 1.00 0.00 C ATOM 561 CG LEU A 36 9.743 8.225 1.436 1.00 0.00 C ATOM 562 CD1 LEU A 36 9.317 8.299 2.895 1.00 0.00 C ATOM 563 CD2 LEU A 36 8.596 8.699 0.556 1.00 0.00 C ATOM 0 H LEU A 36 13.254 9.407 0.413 1.00 0.00 H new ATOM 0 HA LEU A 36 12.163 9.215 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.734 10.143 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.254 9.031 0.119 1.00 0.00 H new ATOM 0 HG LEU A 36 9.999 7.191 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.441 7.670 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.131 7.950 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.073 9.330 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.717 8.081 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.364 9.738 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.884 8.618 -0.492 1.00 0.00 H new ATOM 575 N LEU A 37 12.354 6.360 1.393 1.00 0.00 N ATOM 576 CA LEU A 37 12.229 4.929 1.614 1.00 0.00 C ATOM 577 C LEU A 37 13.239 4.436 2.640 1.00 0.00 C ATOM 578 O LEU A 37 12.877 3.745 3.596 1.00 0.00 O ATOM 579 CB LEU A 37 12.338 4.155 0.282 1.00 0.00 C ATOM 580 CG LEU A 37 12.148 2.630 0.481 1.00 0.00 C ATOM 581 CD1 LEU A 37 13.463 1.979 0.928 1.00 0.00 C ATOM 582 CD2 LEU A 37 11.059 2.343 1.517 1.00 0.00 C ATOM 0 H LEU A 37 12.632 6.632 0.450 1.00 0.00 H new ATOM 0 HA LEU A 37 11.238 4.736 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.587 4.526 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.313 4.343 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 37 11.843 2.206 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.311 0.908 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.227 2.144 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.786 2.421 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.946 1.266 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.339 2.787 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.115 2.771 1.181 1.00 0.00 H new ATOM 594 N GLN A 38 14.486 4.842 2.485 1.00 0.00 N ATOM 595 CA GLN A 38 15.515 4.440 3.433 1.00 0.00 C ATOM 596 C GLN A 38 15.258 5.053 4.796 1.00 0.00 C ATOM 597 O GLN A 38 15.448 4.412 5.829 1.00 0.00 O ATOM 598 CB GLN A 38 16.914 4.821 2.924 1.00 0.00 C ATOM 599 CG GLN A 38 17.051 6.345 2.835 1.00 0.00 C ATOM 600 CD GLN A 38 18.268 6.710 2.000 1.00 0.00 C ATOM 601 OE1 GLN A 38 19.265 7.197 2.532 1.00 0.00 O ATOM 602 NE2 GLN A 38 18.244 6.511 0.720 1.00 0.00 N ATOM 0 H GLN A 38 14.810 5.440 1.725 1.00 0.00 H new ATOM 0 HA GLN A 38 15.475 3.355 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.674 4.419 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 38 17.086 4.376 1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.153 6.774 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 38 17.145 6.769 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.416 6.107 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 38 19.053 6.758 0.150 1.00 0.00 H new ATOM 611 N THR A 39 14.876 6.313 4.785 1.00 0.00 N ATOM 612 CA THR A 39 14.637 7.048 5.998 1.00 0.00 C ATOM 613 C THR A 39 13.484 6.447 6.798 1.00 0.00 C ATOM 614 O THR A 39 13.597 6.259 8.013 1.00 0.00 O ATOM 615 CB THR A 39 14.346 8.511 5.639 1.00 0.00 C ATOM 616 OG1 THR A 39 15.490 9.081 5.014 1.00 0.00 O ATOM 617 CG2 THR A 39 13.979 9.321 6.870 1.00 0.00 C ATOM 0 H THR A 39 14.724 6.852 3.932 1.00 0.00 H new ATOM 0 HA THR A 39 15.524 6.992 6.629 1.00 0.00 H new ATOM 0 HB THR A 39 13.497 8.533 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.502 8.833 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.779 10.353 6.580 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.089 8.895 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.805 9.297 7.581 1.00 0.00 H new ATOM 625 N GLU A 40 12.355 6.219 6.143 1.00 0.00 N ATOM 626 CA GLU A 40 11.178 5.738 6.852 1.00 0.00 C ATOM 627 C GLU A 40 11.266 4.261 7.220 1.00 0.00 C ATOM 628 O GLU A 40 10.879 3.872 8.312 1.00 0.00 O ATOM 629 CB GLU A 40 9.900 6.040 6.076 1.00 0.00 C ATOM 630 CG GLU A 40 9.746 7.561 5.935 1.00 0.00 C ATOM 631 CD GLU A 40 9.684 8.221 7.295 1.00 0.00 C ATOM 632 OE1 GLU A 40 8.892 7.800 8.106 1.00 0.00 O ATOM 633 OE2 GLU A 40 10.439 9.136 7.515 1.00 0.00 O ATOM 0 H GLU A 40 12.229 6.356 5.140 1.00 0.00 H new ATOM 0 HA GLU A 40 11.143 6.287 7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.938 5.573 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.037 5.621 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.584 7.965 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.840 7.789 5.373 1.00 0.00 H new ATOM 640 N LEU A 41 11.750 3.438 6.302 1.00 0.00 N ATOM 641 CA LEU A 41 11.823 1.993 6.541 1.00 0.00 C ATOM 642 C LEU A 41 13.195 1.601 7.045 1.00 0.00 C ATOM 643 O LEU A 41 13.749 0.577 6.641 1.00 0.00 O ATOM 644 CB LEU A 41 11.486 1.212 5.266 1.00 0.00 C ATOM 645 CG LEU A 41 9.958 1.124 5.105 1.00 0.00 C ATOM 646 CD1 LEU A 41 9.372 2.517 4.851 1.00 0.00 C ATOM 647 CD2 LEU A 41 9.609 0.200 3.935 1.00 0.00 C ATOM 0 H LEU A 41 12.097 3.736 5.390 1.00 0.00 H new ATOM 0 HA LEU A 41 11.087 1.743 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.926 1.704 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.915 0.211 5.316 1.00 0.00 H new ATOM 0 HG LEU A 41 9.532 0.720 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.290 2.442 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.605 3.169 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.803 2.933 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.526 0.143 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.045 0.595 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.008 -0.796 4.127 1.00 0.00 H new ATOM 659 N SER A 42 13.752 2.429 7.896 1.00 0.00 N ATOM 660 CA SER A 42 15.097 2.220 8.390 1.00 0.00 C ATOM 661 C SER A 42 15.253 0.829 9.002 1.00 0.00 C ATOM 662 O SER A 42 16.243 0.128 8.743 1.00 0.00 O ATOM 663 CB SER A 42 15.418 3.287 9.438 1.00 0.00 C ATOM 664 OG SER A 42 14.394 3.286 10.440 1.00 0.00 O ATOM 0 H SER A 42 13.292 3.261 8.265 1.00 0.00 H new ATOM 0 HA SER A 42 15.791 2.297 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.388 3.087 9.892 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.482 4.268 8.968 1.00 0.00 H new ATOM 0 HG SER A 42 14.596 3.967 11.115 1.00 0.00 H new ATOM 670 N GLY A 43 14.270 0.418 9.784 1.00 0.00 N ATOM 671 CA GLY A 43 14.313 -0.890 10.417 1.00 0.00 C ATOM 672 C GLY A 43 14.218 -2.006 9.395 1.00 0.00 C ATOM 673 O GLY A 43 14.976 -2.981 9.454 1.00 0.00 O ATOM 0 H GLY A 43 13.437 0.967 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.239 -0.991 10.983 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.493 -0.977 11.130 1.00 0.00 H new ATOM 677 N PHE A 44 13.306 -1.864 8.449 1.00 0.00 N ATOM 678 CA PHE A 44 13.163 -2.863 7.398 1.00 0.00 C ATOM 679 C PHE A 44 14.338 -2.786 6.467 1.00 0.00 C ATOM 680 O PHE A 44 14.863 -3.802 6.012 1.00 0.00 O ATOM 681 CB PHE A 44 11.858 -2.682 6.613 1.00 0.00 C ATOM 682 CG PHE A 44 10.676 -3.054 7.479 1.00 0.00 C ATOM 683 CD1 PHE A 44 10.620 -4.311 8.097 1.00 0.00 C ATOM 684 CD2 PHE A 44 9.635 -2.140 7.667 1.00 0.00 C ATOM 685 CE1 PHE A 44 9.525 -4.647 8.899 1.00 0.00 C ATOM 686 CE2 PHE A 44 8.541 -2.481 8.468 1.00 0.00 C ATOM 687 CZ PHE A 44 8.489 -3.733 9.083 1.00 0.00 C ATOM 0 H PHE A 44 12.659 -1.078 8.384 1.00 0.00 H new ATOM 0 HA PHE A 44 13.129 -3.845 7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.765 -1.648 6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.873 -3.304 5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.422 -5.020 7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.676 -1.170 7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.482 -5.615 9.376 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.736 -1.775 8.611 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.644 -3.994 9.703 1.00 0.00 H new ATOM 697 N LEU A 45 14.765 -1.573 6.211 1.00 0.00 N ATOM 698 CA LEU A 45 15.866 -1.317 5.326 1.00 0.00 C ATOM 699 C LEU A 45 17.130 -1.975 5.821 1.00 0.00 C ATOM 700 O LEU A 45 17.854 -2.601 5.042 1.00 0.00 O ATOM 701 CB LEU A 45 16.077 0.196 5.179 1.00 0.00 C ATOM 702 CG LEU A 45 17.365 0.459 4.409 1.00 0.00 C ATOM 703 CD1 LEU A 45 17.299 -0.179 3.019 1.00 0.00 C ATOM 704 CD2 LEU A 45 17.610 1.959 4.280 1.00 0.00 C ATOM 0 H LEU A 45 14.353 -0.733 6.616 1.00 0.00 H new ATOM 0 HA LEU A 45 15.627 -1.743 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.231 0.642 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.127 0.664 6.162 1.00 0.00 H new ATOM 0 HG LEU A 45 18.191 0.012 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 45 18.227 0.019 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.160 -1.256 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.462 0.245 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.534 2.131 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.778 2.419 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.694 2.401 5.273 1.00 0.00 H new ATOM 716 N ASP A 46 17.399 -1.856 7.106 1.00 0.00 N ATOM 717 CA ASP A 46 18.620 -2.421 7.651 1.00 0.00 C ATOM 718 C ASP A 46 18.712 -3.899 7.322 1.00 0.00 C ATOM 719 O ASP A 46 19.742 -4.378 6.835 1.00 0.00 O ATOM 720 CB ASP A 46 18.683 -2.229 9.162 1.00 0.00 C ATOM 721 CG ASP A 46 20.061 -2.592 9.668 1.00 0.00 C ATOM 722 OD1 ASP A 46 21.009 -1.944 9.273 1.00 0.00 O ATOM 723 OD2 ASP A 46 20.158 -3.516 10.442 1.00 0.00 O ATOM 0 H ASP A 46 16.801 -1.382 7.783 1.00 0.00 H new ATOM 0 HA ASP A 46 19.462 -1.898 7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.453 -1.194 9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.932 -2.851 9.648 1.00 0.00 H new ATOM 728 N ALA A 47 17.616 -4.604 7.516 1.00 0.00 N ATOM 729 CA ALA A 47 17.554 -6.012 7.163 1.00 0.00 C ATOM 730 C ALA A 47 17.606 -6.182 5.653 1.00 0.00 C ATOM 731 O ALA A 47 18.249 -7.092 5.138 1.00 0.00 O ATOM 732 CB ALA A 47 16.276 -6.643 7.708 1.00 0.00 C ATOM 0 H ALA A 47 16.756 -4.228 7.915 1.00 0.00 H new ATOM 0 HA ALA A 47 18.414 -6.514 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.246 -7.698 7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.258 -6.549 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.410 -6.134 7.286 1.00 0.00 H new ATOM 738 N GLN A 48 16.909 -5.300 4.948 1.00 0.00 N ATOM 739 CA GLN A 48 16.824 -5.375 3.493 1.00 0.00 C ATOM 740 C GLN A 48 18.163 -5.188 2.812 1.00 0.00 C ATOM 741 O GLN A 48 18.353 -5.623 1.673 1.00 0.00 O ATOM 742 CB GLN A 48 15.764 -4.426 2.927 1.00 0.00 C ATOM 743 CG GLN A 48 14.378 -4.952 3.308 1.00 0.00 C ATOM 744 CD GLN A 48 14.179 -6.315 2.672 1.00 0.00 C ATOM 745 OE1 GLN A 48 13.934 -6.415 1.473 1.00 0.00 O ATOM 746 NE2 GLN A 48 14.307 -7.375 3.400 1.00 0.00 N ATOM 0 H GLN A 48 16.393 -4.523 5.360 1.00 0.00 H new ATOM 0 HA GLN A 48 16.504 -6.392 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.908 -3.420 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.857 -4.359 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.287 -5.025 4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.606 -4.261 2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.511 -7.288 4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.205 -8.298 2.979 1.00 0.00 H new ATOM 755 N LYS A 49 19.105 -4.605 3.514 1.00 0.00 N ATOM 756 CA LYS A 49 20.438 -4.423 2.946 1.00 0.00 C ATOM 757 C LYS A 49 20.999 -5.772 2.551 1.00 0.00 C ATOM 758 O LYS A 49 21.716 -5.891 1.559 1.00 0.00 O ATOM 759 CB LYS A 49 21.401 -3.740 3.927 1.00 0.00 C ATOM 760 CG LYS A 49 20.965 -2.290 4.166 1.00 0.00 C ATOM 761 CD LYS A 49 21.997 -1.564 5.045 1.00 0.00 C ATOM 762 CE LYS A 49 22.066 -2.208 6.436 1.00 0.00 C ATOM 763 NZ LYS A 49 22.426 -1.183 7.445 1.00 0.00 N ATOM 0 H LYS A 49 18.987 -4.251 4.463 1.00 0.00 H new ATOM 0 HA LYS A 49 20.341 -3.775 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.417 -4.284 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.415 -3.762 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.860 -1.772 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.988 -2.271 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.978 -1.602 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.728 -0.512 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.105 -2.657 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 49 22.804 -3.010 6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.758 -1.229 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.390 -1.361 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.383 -0.239 7.011 1.00 0.00 H new ATOM 777 N ASP A 50 20.681 -6.781 3.341 1.00 0.00 N ATOM 778 CA ASP A 50 21.149 -8.130 3.076 1.00 0.00 C ATOM 779 C ASP A 50 20.119 -8.933 2.285 1.00 0.00 C ATOM 780 O ASP A 50 20.220 -10.161 2.195 1.00 0.00 O ATOM 781 CB ASP A 50 21.486 -8.854 4.388 1.00 0.00 C ATOM 782 CG ASP A 50 22.277 -10.123 4.118 1.00 0.00 C ATOM 783 OD1 ASP A 50 23.027 -10.148 3.166 1.00 0.00 O ATOM 784 OD2 ASP A 50 22.134 -11.053 4.871 1.00 0.00 O ATOM 0 H ASP A 50 20.099 -6.692 4.174 1.00 0.00 H new ATOM 0 HA ASP A 50 22.053 -8.050 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 50 22.061 -8.193 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.566 -9.100 4.919 1.00 0.00 H new ATOM 789 N VAL A 51 19.116 -8.257 1.734 1.00 0.00 N ATOM 790 CA VAL A 51 18.066 -8.946 0.993 1.00 0.00 C ATOM 791 C VAL A 51 18.053 -8.498 -0.464 1.00 0.00 C ATOM 792 O VAL A 51 18.086 -7.305 -0.760 1.00 0.00 O ATOM 793 CB VAL A 51 16.694 -8.677 1.633 1.00 0.00 C ATOM 794 CG1 VAL A 51 15.571 -9.258 0.762 1.00 0.00 C ATOM 795 CG2 VAL A 51 16.636 -9.281 3.039 1.00 0.00 C ATOM 0 H VAL A 51 19.008 -7.244 1.785 1.00 0.00 H new ATOM 0 HA VAL A 51 18.271 -10.016 1.029 1.00 0.00 H new ATOM 0 HB VAL A 51 16.554 -7.599 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.607 -9.058 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.598 -8.794 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.709 -10.334 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.659 -9.083 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.796 -10.358 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.412 -8.833 3.660 1.00 0.00 H new ATOM 805 N ASP A 52 18.008 -9.462 -1.360 1.00 0.00 N ATOM 806 CA ASP A 52 17.958 -9.192 -2.790 1.00 0.00 C ATOM 807 C ASP A 52 16.661 -8.487 -3.186 1.00 0.00 C ATOM 808 O ASP A 52 16.638 -7.678 -4.113 1.00 0.00 O ATOM 809 CB ASP A 52 18.088 -10.494 -3.570 1.00 0.00 C ATOM 810 CG ASP A 52 18.021 -10.218 -5.053 1.00 0.00 C ATOM 811 OD1 ASP A 52 18.887 -9.528 -5.543 1.00 0.00 O ATOM 812 OD2 ASP A 52 17.110 -10.704 -5.687 1.00 0.00 O ATOM 0 H ASP A 52 18.005 -10.454 -1.123 1.00 0.00 H new ATOM 0 HA ASP A 52 18.790 -8.531 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 52 19.032 -10.981 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 52 17.291 -11.180 -3.283 1.00 0.00 H new ATOM 817 N ALA A 53 15.563 -8.900 -2.565 1.00 0.00 N ATOM 818 CA ALA A 53 14.232 -8.434 -2.953 1.00 0.00 C ATOM 819 C ALA A 53 14.164 -6.917 -3.086 1.00 0.00 C ATOM 820 O ALA A 53 13.582 -6.403 -4.042 1.00 0.00 O ATOM 821 CB ALA A 53 13.173 -8.911 -1.954 1.00 0.00 C ATOM 0 H ALA A 53 15.566 -9.560 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 53 14.026 -8.865 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.192 -8.552 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.167 -10.001 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.406 -8.521 -0.963 1.00 0.00 H new ATOM 827 N VAL A 54 14.724 -6.200 -2.123 1.00 0.00 N ATOM 828 CA VAL A 54 14.643 -4.747 -2.144 1.00 0.00 C ATOM 829 C VAL A 54 15.277 -4.188 -3.408 1.00 0.00 C ATOM 830 O VAL A 54 14.715 -3.295 -4.051 1.00 0.00 O ATOM 831 CB VAL A 54 15.276 -4.129 -0.875 1.00 0.00 C ATOM 832 CG1 VAL A 54 16.744 -4.536 -0.748 1.00 0.00 C ATOM 833 CG2 VAL A 54 15.180 -2.598 -0.930 1.00 0.00 C ATOM 0 H VAL A 54 15.231 -6.592 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 54 13.589 -4.471 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 54 14.729 -4.501 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 54 17.169 -4.090 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 54 16.816 -5.622 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.295 -4.187 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.628 -2.173 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.710 -2.232 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.133 -2.301 -0.988 1.00 0.00 H new ATOM 843 N ASP A 55 16.385 -4.783 -3.819 1.00 0.00 N ATOM 844 CA ASP A 55 17.061 -4.361 -5.035 1.00 0.00 C ATOM 845 C ASP A 55 16.087 -4.414 -6.185 1.00 0.00 C ATOM 846 O ASP A 55 15.900 -3.435 -6.922 1.00 0.00 O ATOM 847 CB ASP A 55 18.210 -5.327 -5.326 1.00 0.00 C ATOM 848 CG ASP A 55 19.084 -4.788 -6.429 1.00 0.00 C ATOM 849 OD1 ASP A 55 19.724 -3.787 -6.209 1.00 0.00 O ATOM 850 OD2 ASP A 55 19.114 -5.390 -7.478 1.00 0.00 O ATOM 0 H ASP A 55 16.834 -5.557 -3.330 1.00 0.00 H new ATOM 0 HA ASP A 55 17.442 -3.347 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 55 18.803 -5.478 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 55 17.811 -6.300 -5.612 1.00 0.00 H new ATOM 855 N LYS A 56 15.419 -5.536 -6.277 1.00 0.00 N ATOM 856 CA LYS A 56 14.391 -5.764 -7.266 1.00 0.00 C ATOM 857 C LYS A 56 13.197 -4.843 -7.054 1.00 0.00 C ATOM 858 O LYS A 56 12.603 -4.355 -8.015 1.00 0.00 O ATOM 859 CB LYS A 56 13.980 -7.231 -7.249 1.00 0.00 C ATOM 860 CG LYS A 56 15.150 -8.060 -7.796 1.00 0.00 C ATOM 861 CD LYS A 56 14.820 -9.546 -7.722 1.00 0.00 C ATOM 862 CE LYS A 56 15.954 -10.349 -8.366 1.00 0.00 C ATOM 863 NZ LYS A 56 15.931 -10.141 -9.838 1.00 0.00 N ATOM 0 H LYS A 56 15.575 -6.331 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 56 14.795 -5.528 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.732 -7.545 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.088 -7.384 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.355 -7.776 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.053 -7.851 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.688 -9.850 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.880 -9.747 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.915 -10.035 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.841 -11.408 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.448 -10.913 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.946 -10.132 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.383 -9.233 -10.067 1.00 0.00 H new ATOM 877 N VAL A 57 12.843 -4.612 -5.804 1.00 0.00 N ATOM 878 CA VAL A 57 11.711 -3.755 -5.493 1.00 0.00 C ATOM 879 C VAL A 57 11.978 -2.343 -6.007 1.00 0.00 C ATOM 880 O VAL A 57 11.135 -1.740 -6.677 1.00 0.00 O ATOM 881 CB VAL A 57 11.444 -3.748 -3.976 1.00 0.00 C ATOM 882 CG1 VAL A 57 10.266 -2.823 -3.654 1.00 0.00 C ATOM 883 CG2 VAL A 57 11.118 -5.171 -3.498 1.00 0.00 C ATOM 0 H VAL A 57 13.319 -5.002 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 57 10.821 -4.143 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 57 12.336 -3.387 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.085 -2.825 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.499 -1.810 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.374 -3.175 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.930 -5.160 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.232 -5.535 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.960 -5.829 -3.712 1.00 0.00 H new ATOM 893 N MET A 58 13.186 -1.856 -5.770 1.00 0.00 N ATOM 894 CA MET A 58 13.573 -0.532 -6.246 1.00 0.00 C ATOM 895 C MET A 58 13.451 -0.506 -7.748 1.00 0.00 C ATOM 896 O MET A 58 12.999 0.475 -8.345 1.00 0.00 O ATOM 897 CB MET A 58 15.037 -0.252 -5.881 1.00 0.00 C ATOM 898 CG MET A 58 15.235 -0.439 -4.389 1.00 0.00 C ATOM 899 SD MET A 58 16.335 0.854 -3.755 1.00 0.00 S ATOM 900 CE MET A 58 17.891 -0.045 -3.989 1.00 0.00 C ATOM 0 H MET A 58 13.913 -2.352 -5.254 1.00 0.00 H new ATOM 0 HA MET A 58 12.929 0.218 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 58 15.695 -0.924 -6.432 1.00 0.00 H new ATOM 0 HB3 MET A 58 15.306 0.764 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 58 14.274 -0.397 -3.876 1.00 0.00 H new ATOM 0 HG3 MET A 58 15.660 -1.423 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 58 18.723 0.576 -3.657 1.00 0.00 H new ATOM 0 HE2 MET A 58 17.870 -0.966 -3.406 1.00 0.00 H new ATOM 0 HE3 MET A 58 18.016 -0.287 -5.044 1.00 0.00 H new ATOM 910 N LYS A 59 13.851 -1.604 -8.335 1.00 0.00 N ATOM 911 CA LYS A 59 13.834 -1.799 -9.759 1.00 0.00 C ATOM 912 C LYS A 59 12.414 -1.750 -10.304 1.00 0.00 C ATOM 913 O LYS A 59 12.175 -1.191 -11.386 1.00 0.00 O ATOM 914 CB LYS A 59 14.513 -3.128 -10.067 1.00 0.00 C ATOM 915 CG LYS A 59 14.526 -3.412 -11.573 1.00 0.00 C ATOM 916 CD LYS A 59 15.446 -2.423 -12.307 1.00 0.00 C ATOM 917 CE LYS A 59 14.617 -1.346 -13.028 1.00 0.00 C ATOM 918 NZ LYS A 59 13.296 -1.898 -13.443 1.00 0.00 N ATOM 0 H LYS A 59 14.207 -2.409 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 59 14.378 -0.993 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.535 -3.112 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.993 -3.933 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.865 -4.432 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.514 -3.338 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.124 -1.952 -11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.063 -2.959 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.470 -0.490 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.159 -0.986 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.926 -1.347 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.409 -2.891 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.630 -1.841 -12.646 1.00 0.00 H new ATOM 932 N GLU A 60 11.477 -2.342 -9.574 1.00 0.00 N ATOM 933 CA GLU A 60 10.085 -2.328 -9.998 1.00 0.00 C ATOM 934 C GLU A 60 9.535 -0.905 -9.966 1.00 0.00 C ATOM 935 O GLU A 60 8.920 -0.437 -10.924 1.00 0.00 O ATOM 936 CB GLU A 60 9.248 -3.227 -9.090 1.00 0.00 C ATOM 937 CG GLU A 60 9.660 -4.687 -9.292 1.00 0.00 C ATOM 938 CD GLU A 60 9.364 -5.124 -10.709 1.00 0.00 C ATOM 939 OE1 GLU A 60 8.221 -5.052 -11.104 1.00 0.00 O ATOM 940 OE2 GLU A 60 10.280 -5.533 -11.384 1.00 0.00 O ATOM 0 H GLU A 60 11.653 -2.832 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 60 10.031 -2.705 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.388 -2.940 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.189 -3.103 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.723 -4.804 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.124 -5.324 -8.588 1.00 0.00 H new ATOM 947 N LEU A 61 9.843 -0.201 -8.894 1.00 0.00 N ATOM 948 CA LEU A 61 9.457 1.201 -8.742 1.00 0.00 C ATOM 949 C LEU A 61 10.135 2.063 -9.790 1.00 0.00 C ATOM 950 O LEU A 61 9.582 3.072 -10.247 1.00 0.00 O ATOM 951 CB LEU A 61 9.816 1.710 -7.343 1.00 0.00 C ATOM 952 CG LEU A 61 8.716 1.348 -6.331 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.515 2.277 -6.515 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.270 -0.112 -6.499 1.00 0.00 C ATOM 0 H LEU A 61 10.366 -0.577 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 61 8.378 1.268 -8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.765 1.277 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.952 2.791 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 61 9.123 1.470 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.739 2.016 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.826 3.309 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.123 2.169 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.492 -0.341 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.880 -0.260 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.122 -0.773 -6.340 1.00 0.00 H new ATOM 966 N ASP A 62 11.383 1.741 -10.060 1.00 0.00 N ATOM 967 CA ASP A 62 12.218 2.562 -10.915 1.00 0.00 C ATOM 968 C ASP A 62 11.632 2.727 -12.308 1.00 0.00 C ATOM 969 O ASP A 62 11.812 3.774 -12.930 1.00 0.00 O ATOM 970 CB ASP A 62 13.632 2.000 -11.000 1.00 0.00 C ATOM 971 CG ASP A 62 14.553 3.011 -11.634 1.00 0.00 C ATOM 972 OD1 ASP A 62 14.712 4.073 -11.071 1.00 0.00 O ATOM 973 OD2 ASP A 62 15.098 2.714 -12.672 1.00 0.00 O ATOM 0 H ASP A 62 11.846 0.908 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 62 12.258 3.551 -10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.991 1.744 -10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.632 1.080 -11.584 1.00 0.00 H new ATOM 978 N GLU A 63 10.966 1.693 -12.820 1.00 0.00 N ATOM 979 CA GLU A 63 10.408 1.767 -14.174 1.00 0.00 C ATOM 980 C GLU A 63 9.574 3.015 -14.327 1.00 0.00 C ATOM 981 O GLU A 63 9.934 3.931 -15.066 1.00 0.00 O ATOM 982 CB GLU A 63 9.510 0.564 -14.455 1.00 0.00 C ATOM 983 CG GLU A 63 10.334 -0.724 -14.469 1.00 0.00 C ATOM 984 CD GLU A 63 11.316 -0.721 -15.629 1.00 0.00 C ATOM 985 OE1 GLU A 63 11.114 0.023 -16.566 1.00 0.00 O ATOM 986 OE2 GLU A 63 12.255 -1.466 -15.571 1.00 0.00 O ATOM 0 H GLU A 63 10.801 0.812 -12.333 1.00 0.00 H new ATOM 0 HA GLU A 63 11.243 1.779 -14.875 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.732 0.497 -13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.008 0.693 -15.414 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.875 -0.826 -13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.671 -1.585 -14.550 1.00 0.00 H new ATOM 993 N ASN A 64 8.492 3.077 -13.578 1.00 0.00 N ATOM 994 CA ASN A 64 7.650 4.245 -13.597 1.00 0.00 C ATOM 995 C ASN A 64 8.397 5.415 -13.033 1.00 0.00 C ATOM 996 O ASN A 64 8.193 6.556 -13.452 1.00 0.00 O ATOM 997 CB ASN A 64 6.371 4.032 -12.820 1.00 0.00 C ATOM 998 CG ASN A 64 5.284 4.888 -13.440 1.00 0.00 C ATOM 999 OD1 ASN A 64 4.158 4.427 -13.641 1.00 0.00 O ATOM 1000 ND2 ASN A 64 5.562 6.097 -13.789 1.00 0.00 N ATOM 0 H ASN A 64 8.180 2.334 -12.953 1.00 0.00 H new ATOM 0 HA ASN A 64 7.378 4.441 -14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.084 2.981 -12.843 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.514 4.301 -11.773 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.850 6.676 -14.233 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.494 6.475 -13.621 1.00 0.00 H new ATOM 1007 N GLY A 65 9.208 5.141 -12.022 1.00 0.00 N ATOM 1008 CA GLY A 65 9.976 6.169 -11.355 1.00 0.00 C ATOM 1009 C GLY A 65 10.966 6.813 -12.312 1.00 0.00 C ATOM 1010 O GLY A 65 12.145 6.965 -11.982 1.00 0.00 O ATOM 0 H GLY A 65 9.348 4.203 -11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.304 6.928 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.510 5.738 -10.508 1.00 0.00 H new ATOM 1014 N ASP A 66 10.464 7.274 -13.453 1.00 0.00 N ATOM 1015 CA ASP A 66 11.279 8.003 -14.421 1.00 0.00 C ATOM 1016 C ASP A 66 11.825 9.228 -13.748 1.00 0.00 C ATOM 1017 O ASP A 66 13.011 9.548 -13.856 1.00 0.00 O ATOM 1018 CB ASP A 66 10.412 8.432 -15.616 1.00 0.00 C ATOM 1019 CG ASP A 66 11.205 9.307 -16.565 1.00 0.00 C ATOM 1020 OD1 ASP A 66 12.110 8.809 -17.187 1.00 0.00 O ATOM 1021 OD2 ASP A 66 10.902 10.475 -16.651 1.00 0.00 O ATOM 0 H ASP A 66 9.490 7.155 -13.732 1.00 0.00 H new ATOM 0 HA ASP A 66 12.089 7.366 -14.778 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.049 7.550 -16.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.536 8.974 -15.260 1.00 0.00 H new ATOM 1026 N GLY A 67 10.978 9.844 -12.972 1.00 0.00 N ATOM 1027 CA GLY A 67 11.362 10.988 -12.171 1.00 0.00 C ATOM 1028 C GLY A 67 10.511 11.037 -10.937 1.00 0.00 C ATOM 1029 O GLY A 67 11.003 11.280 -9.832 1.00 0.00 O ATOM 0 H GLY A 67 10.000 9.572 -12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.415 10.918 -11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.242 11.906 -12.746 1.00 0.00 H new ATOM 1033 N GLU A 68 9.238 10.733 -11.116 1.00 0.00 N ATOM 1034 CA GLU A 68 8.305 10.723 -10.021 1.00 0.00 C ATOM 1035 C GLU A 68 7.777 9.327 -9.787 1.00 0.00 C ATOM 1036 O GLU A 68 7.619 8.542 -10.727 1.00 0.00 O ATOM 1037 CB GLU A 68 7.149 11.653 -10.352 1.00 0.00 C ATOM 1038 CG GLU A 68 7.700 13.050 -10.654 1.00 0.00 C ATOM 1039 CD GLU A 68 6.715 13.807 -11.505 1.00 0.00 C ATOM 1040 OE1 GLU A 68 5.625 14.049 -11.044 1.00 0.00 O ATOM 1041 OE2 GLU A 68 7.058 14.126 -12.619 1.00 0.00 O ATOM 0 H GLU A 68 8.832 10.489 -12.019 1.00 0.00 H new ATOM 0 HA GLU A 68 8.812 11.058 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.595 11.274 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.451 11.697 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.883 13.589 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.657 12.971 -11.170 1.00 0.00 H new ATOM 1048 N VAL A 69 7.405 9.075 -8.563 1.00 0.00 N ATOM 1049 CA VAL A 69 6.767 7.853 -8.160 1.00 0.00 C ATOM 1050 C VAL A 69 5.565 8.244 -7.306 1.00 0.00 C ATOM 1051 O VAL A 69 5.645 9.211 -6.539 1.00 0.00 O ATOM 1052 CB VAL A 69 7.783 6.964 -7.392 1.00 0.00 C ATOM 1053 CG1 VAL A 69 8.515 7.766 -6.315 1.00 0.00 C ATOM 1054 CG2 VAL A 69 7.088 5.770 -6.753 1.00 0.00 C ATOM 0 H VAL A 69 7.541 9.733 -7.796 1.00 0.00 H new ATOM 0 HA VAL A 69 6.425 7.264 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 69 8.512 6.604 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.219 7.117 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.056 8.590 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.792 8.163 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.821 5.164 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.331 6.122 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.613 5.168 -7.528 1.00 0.00 H new ATOM 1064 N ASP A 70 4.411 7.652 -7.567 1.00 0.00 N ATOM 1065 CA ASP A 70 3.190 8.102 -6.898 1.00 0.00 C ATOM 1066 C ASP A 70 2.902 7.314 -5.633 1.00 0.00 C ATOM 1067 O ASP A 70 3.672 6.434 -5.235 1.00 0.00 O ATOM 1068 CB ASP A 70 1.971 8.099 -7.833 1.00 0.00 C ATOM 1069 CG ASP A 70 1.242 6.774 -7.765 1.00 0.00 C ATOM 1070 OD1 ASP A 70 1.723 5.828 -8.339 1.00 0.00 O ATOM 1071 OD2 ASP A 70 0.201 6.730 -7.135 1.00 0.00 O ATOM 0 H ASP A 70 4.288 6.878 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 70 3.376 9.136 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.293 8.906 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.292 8.290 -8.857 1.00 0.00 H new ATOM 1076 N PHE A 71 1.789 7.639 -5.004 1.00 0.00 N ATOM 1077 CA PHE A 71 1.386 6.994 -3.769 1.00 0.00 C ATOM 1078 C PHE A 71 1.184 5.503 -3.986 1.00 0.00 C ATOM 1079 O PHE A 71 1.641 4.678 -3.186 1.00 0.00 O ATOM 1080 CB PHE A 71 0.100 7.628 -3.222 1.00 0.00 C ATOM 1081 CG PHE A 71 -0.207 7.046 -1.858 1.00 0.00 C ATOM 1082 CD1 PHE A 71 0.602 7.383 -0.769 1.00 0.00 C ATOM 1083 CD2 PHE A 71 -1.293 6.176 -1.680 1.00 0.00 C ATOM 1084 CE1 PHE A 71 0.332 6.856 0.496 1.00 0.00 C ATOM 1085 CE2 PHE A 71 -1.563 5.649 -0.408 1.00 0.00 C ATOM 1086 CZ PHE A 71 -0.749 5.990 0.679 1.00 0.00 C ATOM 0 H PHE A 71 1.141 8.355 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 71 2.181 7.135 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.217 8.709 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.729 7.441 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.438 8.053 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.919 5.913 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.960 7.118 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.399 4.980 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.957 5.584 1.658 1.00 0.00 H new ATOM 1096 N GLN A 72 0.517 5.159 -5.080 1.00 0.00 N ATOM 1097 CA GLN A 72 0.247 3.766 -5.398 1.00 0.00 C ATOM 1098 C GLN A 72 1.560 3.010 -5.528 1.00 0.00 C ATOM 1099 O GLN A 72 1.695 1.880 -5.061 1.00 0.00 O ATOM 1100 CB GLN A 72 -0.553 3.676 -6.707 1.00 0.00 C ATOM 1101 CG GLN A 72 -1.956 4.258 -6.497 1.00 0.00 C ATOM 1102 CD GLN A 72 -2.738 4.242 -7.807 1.00 0.00 C ATOM 1103 OE1 GLN A 72 -3.424 3.268 -8.113 1.00 0.00 O ATOM 1104 NE2 GLN A 72 -2.669 5.261 -8.606 1.00 0.00 N ATOM 0 H GLN A 72 0.154 5.826 -5.761 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.342 3.318 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.037 4.221 -7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.624 2.637 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.488 3.680 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.881 5.279 -6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.101 6.069 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.183 5.254 -9.487 1.00 0.00 H new ATOM 1113 N GLU A 73 2.526 3.643 -6.148 1.00 0.00 N ATOM 1114 CA GLU A 73 3.857 3.081 -6.265 1.00 0.00 C ATOM 1115 C GLU A 73 4.598 3.113 -4.916 1.00 0.00 C ATOM 1116 O GLU A 73 5.275 2.156 -4.536 1.00 0.00 O ATOM 1117 CB GLU A 73 4.612 3.825 -7.349 1.00 0.00 C ATOM 1118 CG GLU A 73 3.964 3.474 -8.689 1.00 0.00 C ATOM 1119 CD GLU A 73 4.533 4.300 -9.822 1.00 0.00 C ATOM 1120 OE1 GLU A 73 5.327 5.183 -9.570 1.00 0.00 O ATOM 1121 OE2 GLU A 73 4.131 4.058 -10.935 1.00 0.00 O ATOM 0 H GLU A 73 2.417 4.558 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 73 3.786 2.031 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.572 4.900 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.664 3.541 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.115 2.415 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.888 3.636 -8.626 1.00 0.00 H new ATOM 1128 N TYR A 74 4.442 4.206 -4.193 1.00 0.00 N ATOM 1129 CA TYR A 74 5.086 4.373 -2.889 1.00 0.00 C ATOM 1130 C TYR A 74 4.647 3.302 -1.893 1.00 0.00 C ATOM 1131 O TYR A 74 5.481 2.724 -1.185 1.00 0.00 O ATOM 1132 CB TYR A 74 4.811 5.790 -2.342 1.00 0.00 C ATOM 1133 CG TYR A 74 5.293 5.946 -0.905 1.00 0.00 C ATOM 1134 CD1 TYR A 74 6.636 5.718 -0.567 1.00 0.00 C ATOM 1135 CD2 TYR A 74 4.383 6.338 0.089 1.00 0.00 C ATOM 1136 CE1 TYR A 74 7.062 5.884 0.756 1.00 0.00 C ATOM 1137 CE2 TYR A 74 4.812 6.503 1.410 1.00 0.00 C ATOM 1138 CZ TYR A 74 6.149 6.274 1.743 1.00 0.00 C ATOM 1139 OH TYR A 74 6.567 6.436 3.045 1.00 0.00 O ATOM 0 H TYR A 74 3.872 5.001 -4.483 1.00 0.00 H new ATOM 0 HA TYR A 74 6.160 4.251 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.308 6.526 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.742 5.997 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.340 5.415 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.348 6.513 -0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.096 5.711 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.110 6.807 2.172 1.00 0.00 H new ATOM 0 HH TYR A 74 6.263 7.305 3.381 1.00 0.00 H new ATOM 1149 N VAL A 75 3.351 3.040 -1.824 1.00 0.00 N ATOM 1150 CA VAL A 75 2.837 2.066 -0.868 1.00 0.00 C ATOM 1151 C VAL A 75 3.357 0.659 -1.151 1.00 0.00 C ATOM 1152 O VAL A 75 3.769 -0.056 -0.236 1.00 0.00 O ATOM 1153 CB VAL A 75 1.299 2.087 -0.810 1.00 0.00 C ATOM 1154 CG1 VAL A 75 0.829 3.414 -0.207 1.00 0.00 C ATOM 1155 CG2 VAL A 75 0.710 1.938 -2.217 1.00 0.00 C ATOM 0 H VAL A 75 2.642 3.481 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 75 3.211 2.359 0.113 1.00 0.00 H new ATOM 0 HB VAL A 75 0.960 1.256 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.260 3.429 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.232 3.519 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.180 4.240 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.378 1.955 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.053 2.761 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.036 0.992 -2.650 1.00 0.00 H new ATOM 1165 N VAL A 76 3.373 0.276 -2.419 1.00 0.00 N ATOM 1166 CA VAL A 76 3.860 -1.032 -2.794 1.00 0.00 C ATOM 1167 C VAL A 76 5.346 -1.153 -2.509 1.00 0.00 C ATOM 1168 O VAL A 76 5.829 -2.211 -2.110 1.00 0.00 O ATOM 1169 CB VAL A 76 3.540 -1.350 -4.261 1.00 0.00 C ATOM 1170 CG1 VAL A 76 2.026 -1.306 -4.488 1.00 0.00 C ATOM 1171 CG2 VAL A 76 4.226 -0.352 -5.190 1.00 0.00 C ATOM 0 H VAL A 76 3.055 0.853 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 76 3.341 -1.772 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 76 3.912 -2.350 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.808 -1.533 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.541 -2.042 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.651 -0.312 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.987 -0.595 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.877 0.655 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.305 -0.403 -5.046 1.00 0.00 H new ATOM 1181 N LEU A 77 6.065 -0.058 -2.715 1.00 0.00 N ATOM 1182 CA LEU A 77 7.500 -0.046 -2.491 1.00 0.00 C ATOM 1183 C LEU A 77 7.801 -0.362 -1.039 1.00 0.00 C ATOM 1184 O LEU A 77 8.582 -1.266 -0.737 1.00 0.00 O ATOM 1185 CB LEU A 77 8.045 1.351 -2.839 1.00 0.00 C ATOM 1186 CG LEU A 77 9.558 1.453 -2.554 1.00 0.00 C ATOM 1187 CD1 LEU A 77 10.335 0.396 -3.341 1.00 0.00 C ATOM 1188 CD2 LEU A 77 10.050 2.846 -2.955 1.00 0.00 C ATOM 0 H LEU A 77 5.678 0.829 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 77 7.975 -0.799 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.856 1.565 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.513 2.105 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 77 9.725 1.284 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.399 0.489 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.991 -0.598 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.169 0.542 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.119 2.926 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.866 3.005 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.516 3.601 -2.377 1.00 0.00 H new ATOM 1200 N VAL A 78 7.111 0.312 -0.145 1.00 0.00 N ATOM 1201 CA VAL A 78 7.271 0.043 1.264 1.00 0.00 C ATOM 1202 C VAL A 78 6.624 -1.285 1.653 1.00 0.00 C ATOM 1203 O VAL A 78 7.191 -2.068 2.431 1.00 0.00 O ATOM 1204 CB VAL A 78 6.754 1.220 2.111 1.00 0.00 C ATOM 1205 CG1 VAL A 78 7.420 2.516 1.620 1.00 0.00 C ATOM 1206 CG2 VAL A 78 5.236 1.357 1.961 1.00 0.00 C ATOM 0 H VAL A 78 6.438 1.045 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 78 8.336 -0.057 1.474 1.00 0.00 H new ATOM 0 HB VAL A 78 6.995 1.038 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.061 3.357 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.502 2.432 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.170 2.679 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.885 2.193 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.988 1.536 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.753 0.439 2.296 1.00 0.00 H new ATOM 1216 N ALA A 79 5.444 -1.548 1.101 1.00 0.00 N ATOM 1217 CA ALA A 79 4.732 -2.783 1.401 1.00 0.00 C ATOM 1218 C ALA A 79 5.524 -3.989 0.949 1.00 0.00 C ATOM 1219 O ALA A 79 5.628 -4.979 1.683 1.00 0.00 O ATOM 1220 CB ALA A 79 3.362 -2.794 0.738 1.00 0.00 C ATOM 0 H ALA A 79 4.964 -0.928 0.449 1.00 0.00 H new ATOM 0 HA ALA A 79 4.603 -2.832 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.850 -3.726 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.774 -1.953 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.480 -2.711 -0.342 1.00 0.00 H new ATOM 1226 N ALA A 80 6.111 -3.904 -0.238 1.00 0.00 N ATOM 1227 CA ALA A 80 6.903 -5.008 -0.751 1.00 0.00 C ATOM 1228 C ALA A 80 7.992 -5.353 0.243 1.00 0.00 C ATOM 1229 O ALA A 80 8.151 -6.508 0.639 1.00 0.00 O ATOM 1230 CB ALA A 80 7.534 -4.640 -2.093 1.00 0.00 C ATOM 0 H ALA A 80 6.054 -3.093 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 80 6.250 -5.868 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.123 -5.480 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.749 -4.405 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.180 -3.772 -1.965 1.00 0.00 H new ATOM 1236 N LEU A 81 8.683 -4.331 0.710 1.00 0.00 N ATOM 1237 CA LEU A 81 9.701 -4.517 1.726 1.00 0.00 C ATOM 1238 C LEU A 81 9.062 -5.039 2.998 1.00 0.00 C ATOM 1239 O LEU A 81 9.613 -5.917 3.675 1.00 0.00 O ATOM 1240 CB LEU A 81 10.421 -3.195 2.012 1.00 0.00 C ATOM 1241 CG LEU A 81 11.262 -2.783 0.795 1.00 0.00 C ATOM 1242 CD1 LEU A 81 11.797 -1.365 0.995 1.00 0.00 C ATOM 1243 CD2 LEU A 81 12.442 -3.748 0.624 1.00 0.00 C ATOM 0 H LEU A 81 8.559 -3.366 0.403 1.00 0.00 H new ATOM 0 HA LEU A 81 10.431 -5.240 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.693 -2.417 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.061 -3.302 2.888 1.00 0.00 H new ATOM 0 HG LEU A 81 10.635 -2.816 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.393 -1.076 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.962 -0.674 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.418 -1.333 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.034 -3.449 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.066 -3.721 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.066 -4.760 0.474 1.00 0.00 H new ATOM 1255 N THR A 82 7.904 -4.492 3.328 1.00 0.00 N ATOM 1256 CA THR A 82 7.208 -4.893 4.530 1.00 0.00 C ATOM 1257 C THR A 82 6.845 -6.376 4.476 1.00 0.00 C ATOM 1258 O THR A 82 7.186 -7.134 5.390 1.00 0.00 O ATOM 1259 CB THR A 82 5.939 -4.046 4.715 1.00 0.00 C ATOM 1260 OG1 THR A 82 6.261 -2.662 4.585 1.00 0.00 O ATOM 1261 CG2 THR A 82 5.338 -4.304 6.101 1.00 0.00 C ATOM 0 H THR A 82 7.431 -3.773 2.781 1.00 0.00 H new ATOM 0 HA THR A 82 7.871 -4.731 5.380 1.00 0.00 H new ATOM 0 HB THR A 82 5.212 -4.322 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.449 -2.457 3.645 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.439 -3.701 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.083 -5.359 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.064 -4.036 6.868 1.00 0.00 H new ATOM 1269 N VAL A 83 6.223 -6.809 3.388 1.00 0.00 N ATOM 1270 CA VAL A 83 5.873 -8.212 3.267 1.00 0.00 C ATOM 1271 C VAL A 83 7.127 -9.068 3.230 1.00 0.00 C ATOM 1272 O VAL A 83 7.217 -10.077 3.931 1.00 0.00 O ATOM 1273 CB VAL A 83 4.947 -8.474 2.055 1.00 0.00 C ATOM 1274 CG1 VAL A 83 5.652 -8.157 0.738 1.00 0.00 C ATOM 1275 CG2 VAL A 83 4.474 -9.929 2.045 1.00 0.00 C ATOM 0 H VAL A 83 5.957 -6.224 2.596 1.00 0.00 H new ATOM 0 HA VAL A 83 5.302 -8.497 4.150 1.00 0.00 H new ATOM 0 HB VAL A 83 4.085 -7.815 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.975 -8.352 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.948 -7.108 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.538 -8.785 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.824 -10.094 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.337 -10.592 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.924 -10.139 2.962 1.00 0.00 H new ATOM 1285 N ALA A 84 8.129 -8.620 2.475 1.00 0.00 N ATOM 1286 CA ALA A 84 9.389 -9.343 2.408 1.00 0.00 C ATOM 1287 C ALA A 84 9.978 -9.500 3.802 1.00 0.00 C ATOM 1288 O ALA A 84 10.276 -10.618 4.237 1.00 0.00 O ATOM 1289 CB ALA A 84 10.384 -8.610 1.500 1.00 0.00 C ATOM 0 H ALA A 84 8.091 -7.772 1.910 1.00 0.00 H new ATOM 0 HA ALA A 84 9.197 -10.331 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.321 -9.166 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.969 -8.530 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.571 -7.612 1.896 1.00 0.00 H new ATOM 1295 N MET A 85 10.099 -8.391 4.523 1.00 0.00 N ATOM 1296 CA MET A 85 10.589 -8.449 5.894 1.00 0.00 C ATOM 1297 C MET A 85 9.635 -9.173 6.822 1.00 0.00 C ATOM 1298 O MET A 85 10.058 -9.982 7.643 1.00 0.00 O ATOM 1299 CB MET A 85 10.915 -7.062 6.436 1.00 0.00 C ATOM 1300 CG MET A 85 12.246 -6.591 5.851 1.00 0.00 C ATOM 1301 SD MET A 85 13.539 -7.785 6.288 1.00 0.00 S ATOM 1302 CE MET A 85 13.444 -7.596 8.091 1.00 0.00 C ATOM 0 H MET A 85 9.869 -7.456 4.188 1.00 0.00 H new ATOM 0 HA MET A 85 11.512 -9.028 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.122 -6.361 6.175 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.972 -7.088 7.524 1.00 0.00 H new ATOM 0 HG2 MET A 85 12.169 -6.499 4.768 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.499 -5.604 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 85 14.328 -8.038 8.550 1.00 0.00 H new ATOM 0 HE2 MET A 85 13.395 -6.537 8.344 1.00 0.00 H new ATOM 0 HE3 MET A 85 12.552 -8.100 8.463 1.00 0.00 H new ATOM 1312 N ASN A 86 8.346 -8.908 6.693 1.00 0.00 N ATOM 1313 CA ASN A 86 7.391 -9.576 7.560 1.00 0.00 C ATOM 1314 C ASN A 86 7.442 -11.065 7.288 1.00 0.00 C ATOM 1315 O ASN A 86 7.593 -11.866 8.201 1.00 0.00 O ATOM 1316 CB ASN A 86 5.969 -9.036 7.353 1.00 0.00 C ATOM 1317 CG ASN A 86 5.168 -9.164 8.646 1.00 0.00 C ATOM 1318 OD1 ASN A 86 4.436 -10.138 8.837 1.00 0.00 O ATOM 1319 ND2 ASN A 86 5.258 -8.235 9.551 1.00 0.00 N ATOM 0 H ASN A 86 7.945 -8.256 6.019 1.00 0.00 H new ATOM 0 HA ASN A 86 7.659 -9.381 8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.009 -7.992 7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.475 -9.587 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.724 -8.313 10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.863 -7.428 9.396 1.00 0.00 H new ATOM 1326 N ASN A 87 7.516 -11.411 6.014 1.00 0.00 N ATOM 1327 CA ASN A 87 7.678 -12.800 5.606 1.00 0.00 C ATOM 1328 C ASN A 87 8.991 -13.352 6.150 1.00 0.00 C ATOM 1329 O ASN A 87 9.040 -14.467 6.675 1.00 0.00 O ATOM 1330 CB ASN A 87 7.627 -12.912 4.077 1.00 0.00 C ATOM 1331 CG ASN A 87 7.763 -14.360 3.640 1.00 0.00 C ATOM 1332 OD1 ASN A 87 7.571 -15.274 4.439 1.00 0.00 O ATOM 1333 ND2 ASN A 87 8.069 -14.631 2.415 1.00 0.00 N ATOM 0 H ASN A 87 7.466 -10.748 5.240 1.00 0.00 H new ATOM 0 HA ASN A 87 6.860 -13.392 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.686 -12.503 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.428 -12.317 3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.151 -15.602 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.229 -13.874 1.750 1.00 0.00 H new ATOM 1340 N PHE A 88 10.021 -12.517 6.116 1.00 0.00 N ATOM 1341 CA PHE A 88 11.319 -12.842 6.711 1.00 0.00 C ATOM 1342 C PHE A 88 11.165 -13.093 8.201 1.00 0.00 C ATOM 1343 O PHE A 88 11.720 -14.054 8.742 1.00 0.00 O ATOM 1344 CB PHE A 88 12.321 -11.711 6.444 1.00 0.00 C ATOM 1345 CG PHE A 88 13.632 -11.992 7.133 1.00 0.00 C ATOM 1346 CD1 PHE A 88 14.390 -13.111 6.781 1.00 0.00 C ATOM 1347 CD2 PHE A 88 14.095 -11.115 8.118 1.00 0.00 C ATOM 1348 CE1 PHE A 88 15.611 -13.356 7.416 1.00 0.00 C ATOM 1349 CE2 PHE A 88 15.315 -11.360 8.754 1.00 0.00 C ATOM 1350 CZ PHE A 88 16.073 -12.481 8.404 1.00 0.00 C ATOM 0 H PHE A 88 9.985 -11.597 5.677 1.00 0.00 H new ATOM 0 HA PHE A 88 11.703 -13.753 6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.483 -11.606 5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.913 -10.765 6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.033 -13.787 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 88 13.510 -10.248 8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.197 -14.221 7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 88 15.672 -10.683 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 88 17.015 -12.671 8.896 1.00 0.00 H new ATOM 1360 N PHE A 89 10.401 -12.240 8.860 1.00 0.00 N ATOM 1361 CA PHE A 89 10.164 -12.398 10.285 1.00 0.00 C ATOM 1362 C PHE A 89 9.518 -13.744 10.593 1.00 0.00 C ATOM 1363 O PHE A 89 9.874 -14.392 11.579 1.00 0.00 O ATOM 1364 CB PHE A 89 9.283 -11.260 10.830 1.00 0.00 C ATOM 1365 CG PHE A 89 10.147 -10.082 11.239 1.00 0.00 C ATOM 1366 CD1 PHE A 89 10.891 -10.146 12.421 1.00 0.00 C ATOM 1367 CD2 PHE A 89 10.202 -8.929 10.443 1.00 0.00 C ATOM 1368 CE1 PHE A 89 11.687 -9.064 12.809 1.00 0.00 C ATOM 1369 CE2 PHE A 89 11.000 -7.847 10.834 1.00 0.00 C ATOM 1370 CZ PHE A 89 11.744 -7.915 12.018 1.00 0.00 C ATOM 0 H PHE A 89 9.937 -11.437 8.436 1.00 0.00 H new ATOM 0 HA PHE A 89 11.135 -12.358 10.779 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.566 -10.949 10.070 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.707 -11.613 11.686 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.851 -11.033 13.036 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.629 -8.876 9.529 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.259 -9.117 13.723 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.042 -6.959 10.221 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.360 -7.081 12.319 1.00 0.00 H new ATOM 1380 N TRP A 90 8.535 -14.141 9.790 1.00 0.00 N ATOM 1381 CA TRP A 90 7.831 -15.392 10.059 1.00 0.00 C ATOM 1382 C TRP A 90 8.543 -16.595 9.457 1.00 0.00 C ATOM 1383 O TRP A 90 9.185 -17.364 10.174 1.00 0.00 O ATOM 1384 CB TRP A 90 6.382 -15.346 9.546 1.00 0.00 C ATOM 1385 CG TRP A 90 5.710 -14.126 10.061 1.00 0.00 C ATOM 1386 CD1 TRP A 90 5.480 -13.031 9.331 1.00 0.00 C ATOM 1387 CD2 TRP A 90 5.181 -13.853 11.386 1.00 0.00 C ATOM 1388 NE1 TRP A 90 4.862 -12.095 10.112 1.00 0.00 N ATOM 1389 CE2 TRP A 90 4.649 -12.548 11.390 1.00 0.00 C ATOM 1390 CE3 TRP A 90 5.115 -14.597 12.572 1.00 0.00 C ATOM 1391 CZ2 TRP A 90 4.069 -11.995 12.524 1.00 0.00 C ATOM 1392 CZ3 TRP A 90 4.527 -14.046 13.724 1.00 0.00 C ATOM 1393 CH2 TRP A 90 4.008 -12.744 13.698 1.00 0.00 C ATOM 0 H TRP A 90 8.213 -13.630 8.968 1.00 0.00 H new ATOM 0 HA TRP A 90 7.822 -15.506 11.143 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.371 -15.347 8.456 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.842 -16.235 9.871 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.741 -12.906 8.290 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.591 -11.168 9.784 1.00 0.00 H new ATOM 0 HE3 TRP A 90 5.518 -15.599 12.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.668 -10.992 12.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.475 -14.628 14.632 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.562 -12.322 14.586 1.00 0.00 H new ATOM 1453 N SER B 2 10.089 4.367 11.870 1.00 0.00 N ATOM 1454 CA SER B 2 9.030 5.295 11.520 1.00 0.00 C ATOM 1455 C SER B 2 7.664 4.703 11.817 1.00 0.00 C ATOM 1456 O SER B 2 7.456 3.491 11.689 1.00 0.00 O ATOM 1457 CB SER B 2 9.118 5.674 10.053 1.00 0.00 C ATOM 1458 OG SER B 2 10.174 6.610 9.871 1.00 0.00 O ATOM 0 HA SER B 2 9.159 6.190 12.128 1.00 0.00 H new ATOM 0 HB2 SER B 2 9.295 4.786 9.446 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.174 6.104 9.720 1.00 0.00 H new ATOM 0 HG SER B 2 9.802 7.475 9.599 1.00 0.00 H new ATOM 1464 N GLU B 3 6.703 5.570 12.083 1.00 0.00 N ATOM 1465 CA GLU B 3 5.337 5.138 12.297 1.00 0.00 C ATOM 1466 C GLU B 3 4.879 4.366 11.082 1.00 0.00 C ATOM 1467 O GLU B 3 4.032 3.478 11.169 1.00 0.00 O ATOM 1468 CB GLU B 3 4.425 6.349 12.499 1.00 0.00 C ATOM 1469 CG GLU B 3 5.140 7.391 13.358 1.00 0.00 C ATOM 1470 CD GLU B 3 5.861 8.381 12.470 1.00 0.00 C ATOM 1471 OE1 GLU B 3 6.965 8.087 12.048 1.00 0.00 O ATOM 1472 OE2 GLU B 3 5.303 9.414 12.211 1.00 0.00 O ATOM 0 H GLU B 3 6.845 6.577 12.156 1.00 0.00 H new ATOM 0 HA GLU B 3 5.290 4.510 13.187 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.157 6.780 11.534 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.496 6.042 12.980 1.00 0.00 H new ATOM 0 HG2 GLU B 3 4.420 7.912 13.989 1.00 0.00 H new ATOM 0 HG3 GLU B 3 5.851 6.901 14.024 1.00 0.00 H new ATOM 1479 N LEU B 4 5.480 4.688 9.951 1.00 0.00 N ATOM 1480 CA LEU B 4 5.153 4.032 8.710 1.00 0.00 C ATOM 1481 C LEU B 4 5.462 2.555 8.815 1.00 0.00 C ATOM 1482 O LEU B 4 4.642 1.721 8.443 1.00 0.00 O ATOM 1483 CB LEU B 4 5.965 4.628 7.566 1.00 0.00 C ATOM 1484 CG LEU B 4 5.573 6.092 7.352 1.00 0.00 C ATOM 1485 CD1 LEU B 4 6.278 6.628 6.115 1.00 0.00 C ATOM 1486 CD2 LEU B 4 4.057 6.226 7.191 1.00 0.00 C ATOM 0 H LEU B 4 6.201 5.405 9.872 1.00 0.00 H new ATOM 0 HA LEU B 4 4.091 4.176 8.512 1.00 0.00 H new ATOM 0 HB2 LEU B 4 7.030 4.557 7.789 1.00 0.00 H new ATOM 0 HB3 LEU B 4 5.792 4.060 6.652 1.00 0.00 H new ATOM 0 HG LEU B 4 5.877 6.671 8.224 1.00 0.00 H new ATOM 0 HD11 LEU B 4 6.000 7.671 5.961 1.00 0.00 H new ATOM 0 HD12 LEU B 4 7.357 6.556 6.252 1.00 0.00 H new ATOM 0 HD13 LEU B 4 5.983 6.041 5.245 1.00 0.00 H new ATOM 0 HD21 LEU B 4 3.798 7.274 7.040 1.00 0.00 H new ATOM 0 HD22 LEU B 4 3.730 5.644 6.330 1.00 0.00 H new ATOM 0 HD23 LEU B 4 3.562 5.856 8.089 1.00 0.00 H new ATOM 1498 N GLU B 5 6.596 2.225 9.419 1.00 0.00 N ATOM 1499 CA GLU B 5 6.943 0.833 9.597 1.00 0.00 C ATOM 1500 C GLU B 5 5.897 0.176 10.477 1.00 0.00 C ATOM 1501 O GLU B 5 5.400 -0.909 10.169 1.00 0.00 O ATOM 1502 CB GLU B 5 8.348 0.682 10.207 1.00 0.00 C ATOM 1503 CG GLU B 5 9.399 1.168 9.192 1.00 0.00 C ATOM 1504 CD GLU B 5 10.802 0.998 9.758 1.00 0.00 C ATOM 1505 OE1 GLU B 5 11.228 1.854 10.507 1.00 0.00 O ATOM 1506 OE2 GLU B 5 11.439 0.013 9.427 1.00 0.00 O ATOM 0 H GLU B 5 7.275 2.892 9.785 1.00 0.00 H new ATOM 0 HA GLU B 5 6.962 0.341 8.624 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.421 1.260 11.128 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.533 -0.360 10.469 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.304 0.606 8.263 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.222 2.216 8.950 1.00 0.00 H new ATOM 1513 N THR B 6 5.472 0.887 11.507 1.00 0.00 N ATOM 1514 CA THR B 6 4.383 0.406 12.334 1.00 0.00 C ATOM 1515 C THR B 6 3.116 0.317 11.490 1.00 0.00 C ATOM 1516 O THR B 6 2.396 -0.692 11.513 1.00 0.00 O ATOM 1517 CB THR B 6 4.144 1.366 13.506 1.00 0.00 C ATOM 1518 OG1 THR B 6 5.395 1.714 14.085 1.00 0.00 O ATOM 1519 CG2 THR B 6 3.272 0.671 14.560 1.00 0.00 C ATOM 0 H THR B 6 5.860 1.788 11.787 1.00 0.00 H new ATOM 0 HA THR B 6 4.640 -0.577 12.727 1.00 0.00 H new ATOM 0 HB THR B 6 3.640 2.265 13.150 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.249 2.329 14.834 1.00 0.00 H new ATOM 0 HG21 THR B 6 3.100 1.350 15.395 1.00 0.00 H new ATOM 0 HG22 THR B 6 2.316 0.393 14.116 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.780 -0.224 14.919 1.00 0.00 H new ATOM 1527 N ALA B 7 2.854 1.368 10.729 1.00 0.00 N ATOM 1528 CA ALA B 7 1.680 1.418 9.884 1.00 0.00 C ATOM 1529 C ALA B 7 1.679 0.253 8.916 1.00 0.00 C ATOM 1530 O ALA B 7 0.676 -0.450 8.777 1.00 0.00 O ATOM 1531 CB ALA B 7 1.636 2.739 9.109 1.00 0.00 C ATOM 0 H ALA B 7 3.444 2.199 10.682 1.00 0.00 H new ATOM 0 HA ALA B 7 0.796 1.352 10.518 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.747 2.761 8.478 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.603 3.572 9.811 1.00 0.00 H new ATOM 0 HB3 ALA B 7 2.526 2.825 8.485 1.00 0.00 H new ATOM 1537 N MET B 8 2.819 0.020 8.285 1.00 0.00 N ATOM 1538 CA MET B 8 2.921 -1.074 7.332 1.00 0.00 C ATOM 1539 C MET B 8 2.718 -2.416 8.021 1.00 0.00 C ATOM 1540 O MET B 8 1.942 -3.252 7.541 1.00 0.00 O ATOM 1541 CB MET B 8 4.263 -1.037 6.593 1.00 0.00 C ATOM 1542 CG MET B 8 4.362 0.260 5.772 1.00 0.00 C ATOM 1543 SD MET B 8 2.922 0.409 4.691 1.00 0.00 S ATOM 1544 CE MET B 8 3.242 -1.050 3.678 1.00 0.00 C ATOM 0 H MET B 8 3.673 0.563 8.412 1.00 0.00 H new ATOM 0 HA MET B 8 2.128 -0.950 6.594 1.00 0.00 H new ATOM 0 HB2 MET B 8 5.085 -1.091 7.307 1.00 0.00 H new ATOM 0 HB3 MET B 8 4.353 -1.903 5.937 1.00 0.00 H new ATOM 0 HG2 MET B 8 4.419 1.120 6.439 1.00 0.00 H new ATOM 0 HG3 MET B 8 5.276 0.257 5.178 1.00 0.00 H new ATOM 0 HE1 MET B 8 2.992 -0.834 2.639 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.296 -1.318 3.749 1.00 0.00 H new ATOM 0 HE3 MET B 8 2.631 -1.880 4.033 1.00 0.00 H new ATOM 1554 N GLU B 9 3.297 -2.589 9.207 1.00 0.00 N ATOM 1555 CA GLU B 9 3.042 -3.805 9.957 1.00 0.00 C ATOM 1556 C GLU B 9 1.595 -3.865 10.403 1.00 0.00 C ATOM 1557 O GLU B 9 0.972 -4.918 10.352 1.00 0.00 O ATOM 1558 CB GLU B 9 4.003 -4.030 11.126 1.00 0.00 C ATOM 1559 CG GLU B 9 5.397 -4.358 10.580 1.00 0.00 C ATOM 1560 CD GLU B 9 6.362 -4.642 11.716 1.00 0.00 C ATOM 1561 OE1 GLU B 9 6.357 -3.907 12.675 1.00 0.00 O ATOM 1562 OE2 GLU B 9 7.081 -5.610 11.622 1.00 0.00 O ATOM 0 H GLU B 9 3.926 -1.922 9.654 1.00 0.00 H new ATOM 0 HA GLU B 9 3.233 -4.630 9.271 1.00 0.00 H new ATOM 0 HB2 GLU B 9 4.046 -3.139 11.753 1.00 0.00 H new ATOM 0 HB3 GLU B 9 3.645 -4.845 11.754 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.340 -5.223 9.919 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.765 -3.524 9.983 1.00 0.00 H new ATOM 1569 N THR B 10 1.030 -2.718 10.737 1.00 0.00 N ATOM 1570 CA THR B 10 -0.375 -2.666 11.083 1.00 0.00 C ATOM 1571 C THR B 10 -1.190 -3.199 9.913 1.00 0.00 C ATOM 1572 O THR B 10 -2.071 -4.048 10.090 1.00 0.00 O ATOM 1573 CB THR B 10 -0.799 -1.234 11.453 1.00 0.00 C ATOM 1574 OG1 THR B 10 0.149 -0.683 12.372 1.00 0.00 O ATOM 1575 CG2 THR B 10 -2.184 -1.260 12.119 1.00 0.00 C ATOM 0 H THR B 10 1.517 -1.822 10.775 1.00 0.00 H new ATOM 0 HA THR B 10 -0.557 -3.288 11.959 1.00 0.00 H new ATOM 0 HB THR B 10 -0.839 -0.626 10.550 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.931 -0.358 11.879 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.481 -0.244 12.380 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.912 -1.685 11.428 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.142 -1.869 13.022 1.00 0.00 H new ATOM 1583 N LEU B 11 -0.811 -2.800 8.709 1.00 0.00 N ATOM 1584 CA LEU B 11 -1.462 -3.326 7.523 1.00 0.00 C ATOM 1585 C LEU B 11 -1.234 -4.835 7.448 1.00 0.00 C ATOM 1586 O LEU B 11 -2.163 -5.609 7.187 1.00 0.00 O ATOM 1587 CB LEU B 11 -0.899 -2.664 6.255 1.00 0.00 C ATOM 1588 CG LEU B 11 -1.276 -1.176 6.198 1.00 0.00 C ATOM 1589 CD1 LEU B 11 -0.546 -0.511 5.032 1.00 0.00 C ATOM 1590 CD2 LEU B 11 -2.780 -1.025 5.995 1.00 0.00 C ATOM 0 H LEU B 11 -0.068 -2.125 8.530 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.529 -3.111 7.586 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.186 -2.769 6.236 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.284 -3.175 5.372 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.989 -0.701 7.136 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.813 0.545 4.990 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.530 -0.608 5.174 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.834 -0.995 4.099 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.037 0.033 5.956 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.071 -1.504 5.060 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.308 -1.496 6.824 1.00 0.00 H new ATOM 1602 N ILE B 12 -0.009 -5.253 7.746 1.00 0.00 N ATOM 1603 CA ILE B 12 0.336 -6.671 7.767 1.00 0.00 C ATOM 1604 C ILE B 12 -0.477 -7.372 8.852 1.00 0.00 C ATOM 1605 O ILE B 12 -0.966 -8.487 8.665 1.00 0.00 O ATOM 1606 CB ILE B 12 1.849 -6.854 8.046 1.00 0.00 C ATOM 1607 CG1 ILE B 12 2.695 -6.336 6.872 1.00 0.00 C ATOM 1608 CG2 ILE B 12 2.163 -8.331 8.266 1.00 0.00 C ATOM 1609 CD1 ILE B 12 2.587 -7.289 5.671 1.00 0.00 C ATOM 0 H ILE B 12 0.764 -4.629 7.977 1.00 0.00 H new ATOM 0 HA ILE B 12 0.106 -7.108 6.795 1.00 0.00 H new ATOM 0 HB ILE B 12 2.095 -6.281 8.940 1.00 0.00 H new ATOM 0 HG12 ILE B 12 2.359 -5.340 6.585 1.00 0.00 H new ATOM 0 HG13 ILE B 12 3.737 -6.244 7.179 1.00 0.00 H new ATOM 0 HG21 ILE B 12 3.229 -8.451 8.461 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.594 -8.701 9.119 1.00 0.00 H new ATOM 0 HG23 ILE B 12 1.891 -8.897 7.375 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.192 -6.908 4.848 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.946 -8.278 5.957 1.00 0.00 H new ATOM 0 HD13 ILE B 12 1.546 -7.359 5.354 1.00 0.00 H new ATOM 1621 N ASN B 13 -0.569 -6.731 10.001 1.00 0.00 N ATOM 1622 CA ASN B 13 -1.236 -7.311 11.152 1.00 0.00 C ATOM 1623 C ASN B 13 -2.677 -7.586 10.809 1.00 0.00 C ATOM 1624 O ASN B 13 -3.190 -8.681 11.057 1.00 0.00 O ATOM 1625 CB ASN B 13 -1.196 -6.319 12.309 1.00 0.00 C ATOM 1626 CG ASN B 13 0.230 -6.126 12.793 1.00 0.00 C ATOM 1627 OD1 ASN B 13 1.051 -7.043 12.714 1.00 0.00 O ATOM 1628 ND2 ASN B 13 0.590 -4.973 13.253 1.00 0.00 N ATOM 0 H ASN B 13 -0.186 -5.799 10.163 1.00 0.00 H new ATOM 0 HA ASN B 13 -0.734 -8.237 11.431 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -1.611 -5.363 11.991 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -1.819 -6.680 13.128 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.554 -4.821 13.551 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -0.090 -4.215 13.318 1.00 0.00 H new ATOM 1635 N VAL B 14 -3.295 -6.638 10.132 1.00 0.00 N ATOM 1636 CA VAL B 14 -4.638 -6.824 9.640 1.00 0.00 C ATOM 1637 C VAL B 14 -4.635 -7.940 8.613 1.00 0.00 C ATOM 1638 O VAL B 14 -5.505 -8.815 8.615 1.00 0.00 O ATOM 1639 CB VAL B 14 -5.146 -5.518 9.018 1.00 0.00 C ATOM 1640 CG1 VAL B 14 -6.540 -5.729 8.414 1.00 0.00 C ATOM 1641 CG2 VAL B 14 -5.211 -4.437 10.101 1.00 0.00 C ATOM 0 H VAL B 14 -2.884 -5.731 9.912 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.303 -7.095 10.460 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.464 -5.206 8.227 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -6.891 -4.795 7.975 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -6.490 -6.497 7.642 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -7.231 -6.045 9.195 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -5.572 -3.506 9.664 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -5.891 -4.754 10.892 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -4.217 -4.280 10.519 1.00 0.00 H new ATOM 1651 N PHE B 15 -3.651 -7.898 7.736 1.00 0.00 N ATOM 1652 CA PHE B 15 -3.525 -8.884 6.680 1.00 0.00 C ATOM 1653 C PHE B 15 -3.391 -10.287 7.286 1.00 0.00 C ATOM 1654 O PHE B 15 -4.146 -11.196 6.932 1.00 0.00 O ATOM 1655 CB PHE B 15 -2.297 -8.555 5.829 1.00 0.00 C ATOM 1656 CG PHE B 15 -2.245 -9.437 4.608 1.00 0.00 C ATOM 1657 CD1 PHE B 15 -2.980 -9.085 3.468 1.00 0.00 C ATOM 1658 CD2 PHE B 15 -1.464 -10.593 4.606 1.00 0.00 C ATOM 1659 CE1 PHE B 15 -2.928 -9.889 2.330 1.00 0.00 C ATOM 1660 CE2 PHE B 15 -1.417 -11.394 3.466 1.00 0.00 C ATOM 1661 CZ PHE B 15 -2.149 -11.041 2.329 1.00 0.00 C ATOM 0 H PHE B 15 -2.921 -7.185 7.734 1.00 0.00 H new ATOM 0 HA PHE B 15 -4.415 -8.862 6.052 1.00 0.00 H new ATOM 0 HB2 PHE B 15 -2.327 -7.508 5.527 1.00 0.00 H new ATOM 0 HB3 PHE B 15 -1.391 -8.690 6.420 1.00 0.00 H new ATOM 0 HD1 PHE B 15 -3.586 -8.191 3.471 1.00 0.00 H new ATOM 0 HD2 PHE B 15 -0.898 -10.866 5.484 1.00 0.00 H new ATOM 0 HE1 PHE B 15 -3.492 -9.617 1.450 1.00 0.00 H new ATOM 0 HE2 PHE B 15 -0.813 -12.290 3.461 1.00 0.00 H new ATOM 0 HZ PHE B 15 -2.110 -11.664 1.448 1.00 0.00 H new ATOM 1671 N HIS B 16 -2.506 -10.431 8.279 1.00 0.00 N ATOM 1672 CA HIS B 16 -2.343 -11.728 8.961 1.00 0.00 C ATOM 1673 C HIS B 16 -3.648 -12.161 9.584 1.00 0.00 C ATOM 1674 O HIS B 16 -4.000 -13.349 9.560 1.00 0.00 O ATOM 1675 CB HIS B 16 -1.296 -11.670 10.082 1.00 0.00 C ATOM 1676 CG HIS B 16 0.092 -11.586 9.534 1.00 0.00 C ATOM 1677 ND1 HIS B 16 0.638 -12.567 8.713 1.00 0.00 N ATOM 1678 CD2 HIS B 16 1.070 -10.655 9.713 1.00 0.00 C ATOM 1679 CE1 HIS B 16 1.905 -12.185 8.437 1.00 0.00 C ATOM 1680 NE2 HIS B 16 2.213 -11.030 9.020 1.00 0.00 N ATOM 0 H HIS B 16 -1.902 -9.686 8.625 1.00 0.00 H new ATOM 0 HA HIS B 16 -2.015 -12.435 8.199 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -1.490 -10.806 10.717 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -1.386 -12.555 10.711 1.00 0.00 H new ATOM 0 HD1 HIS B 16 0.172 -13.412 8.383 1.00 0.00 H new ATOM 0 HD2 HIS B 16 0.971 -9.758 10.306 1.00 0.00 H new ATOM 0 HE1 HIS B 16 2.586 -12.750 7.817 1.00 0.00 H new ATOM 0 HE2 HIS B 16 3.099 -10.527 8.969 1.00 0.00 H new ATOM 1689 N ALA B 17 -4.332 -11.210 10.203 1.00 0.00 N ATOM 1690 CA ALA B 17 -5.568 -11.506 10.900 1.00 0.00 C ATOM 1691 C ALA B 17 -6.527 -12.201 9.963 1.00 0.00 C ATOM 1692 O ALA B 17 -7.060 -13.269 10.277 1.00 0.00 O ATOM 1693 CB ALA B 17 -6.200 -10.217 11.447 1.00 0.00 C ATOM 0 H ALA B 17 -4.050 -10.230 10.235 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.349 -12.164 11.741 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -7.127 -10.459 11.967 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.509 -9.739 12.141 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -6.413 -9.538 10.622 1.00 0.00 H new ATOM 1699 N HIS B 18 -6.687 -11.635 8.781 1.00 0.00 N ATOM 1700 CA HIS B 18 -7.524 -12.248 7.769 1.00 0.00 C ATOM 1701 C HIS B 18 -6.912 -13.536 7.243 1.00 0.00 C ATOM 1702 O HIS B 18 -7.598 -14.542 7.129 1.00 0.00 O ATOM 1703 CB HIS B 18 -7.837 -11.277 6.651 1.00 0.00 C ATOM 1704 CG HIS B 18 -8.702 -10.188 7.205 1.00 0.00 C ATOM 1705 ND1 HIS B 18 -10.050 -10.379 7.504 1.00 0.00 N ATOM 1706 CD2 HIS B 18 -8.424 -8.894 7.547 1.00 0.00 C ATOM 1707 CE1 HIS B 18 -10.515 -9.221 8.003 1.00 0.00 C ATOM 1708 NE2 HIS B 18 -9.563 -8.284 8.049 1.00 0.00 N ATOM 0 H HIS B 18 -6.251 -10.757 8.500 1.00 0.00 H new ATOM 0 HA HIS B 18 -8.470 -12.513 8.242 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -6.917 -10.860 6.241 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -8.347 -11.789 5.835 1.00 0.00 H new ATOM 0 HD1 HIS B 18 -10.584 -11.238 7.369 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -7.460 -8.418 7.442 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -11.534 -9.066 8.327 1.00 0.00 H new ATOM 1717 N SER B 19 -5.598 -13.548 7.049 1.00 0.00 N ATOM 1718 CA SER B 19 -4.929 -14.788 6.677 1.00 0.00 C ATOM 1719 C SER B 19 -5.280 -15.861 7.709 1.00 0.00 C ATOM 1720 O SER B 19 -5.513 -17.032 7.374 1.00 0.00 O ATOM 1721 CB SER B 19 -3.410 -14.588 6.615 1.00 0.00 C ATOM 1722 OG SER B 19 -3.101 -13.527 5.714 1.00 0.00 O ATOM 0 H SER B 19 -4.988 -12.735 7.140 1.00 0.00 H new ATOM 0 HA SER B 19 -5.265 -15.099 5.688 1.00 0.00 H new ATOM 0 HB2 SER B 19 -3.023 -14.359 7.608 1.00 0.00 H new ATOM 0 HB3 SER B 19 -2.925 -15.508 6.288 1.00 0.00 H new ATOM 0 HG SER B 19 -3.824 -13.433 5.059 1.00 0.00 H new ATOM 1728 N GLY B 20 -5.432 -15.418 8.953 1.00 0.00 N ATOM 1729 CA GLY B 20 -5.855 -16.280 10.043 1.00 0.00 C ATOM 1730 C GLY B 20 -7.224 -16.873 9.759 1.00 0.00 C ATOM 1731 O GLY B 20 -7.521 -17.999 10.166 1.00 0.00 O ATOM 0 H GLY B 20 -5.265 -14.451 9.230 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.129 -17.080 10.183 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.885 -15.711 10.972 1.00 0.00 H new ATOM 1735 N LYS B 21 -8.059 -16.111 9.077 1.00 0.00 N ATOM 1736 CA LYS B 21 -9.418 -16.538 8.776 1.00 0.00 C ATOM 1737 C LYS B 21 -9.400 -17.764 7.891 1.00 0.00 C ATOM 1738 O LYS B 21 -10.198 -18.690 8.075 1.00 0.00 O ATOM 1739 CB LYS B 21 -10.136 -15.427 8.018 1.00 0.00 C ATOM 1740 CG LYS B 21 -10.201 -14.167 8.873 1.00 0.00 C ATOM 1741 CD LYS B 21 -11.238 -14.325 9.973 1.00 0.00 C ATOM 1742 CE LYS B 21 -11.317 -13.017 10.753 1.00 0.00 C ATOM 1743 NZ LYS B 21 -12.355 -12.139 10.139 1.00 0.00 N ATOM 0 H LYS B 21 -7.820 -15.187 8.718 1.00 0.00 H new ATOM 0 HA LYS B 21 -9.926 -16.764 9.714 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -9.613 -15.216 7.085 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -11.143 -15.749 7.753 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -9.224 -13.967 9.312 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -10.452 -13.309 8.249 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -12.210 -14.570 9.545 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -10.965 -15.146 10.636 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -11.563 -13.216 11.796 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -10.349 -12.516 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -12.285 -11.184 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -12.205 -12.091 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -13.299 -12.529 10.333 1.00 0.00 H new ATOM 1757 N GLU B 22 -8.553 -17.727 6.878 1.00 0.00 N ATOM 1758 CA GLU B 22 -8.497 -18.794 5.904 1.00 0.00 C ATOM 1759 C GLU B 22 -7.561 -19.912 6.335 1.00 0.00 C ATOM 1760 O GLU B 22 -7.879 -21.088 6.164 1.00 0.00 O ATOM 1761 CB GLU B 22 -8.125 -18.249 4.526 1.00 0.00 C ATOM 1762 CG GLU B 22 -6.725 -17.628 4.559 1.00 0.00 C ATOM 1763 CD GLU B 22 -6.352 -17.139 3.184 1.00 0.00 C ATOM 1764 OE1 GLU B 22 -7.188 -16.543 2.548 1.00 0.00 O ATOM 1765 OE2 GLU B 22 -5.249 -17.398 2.770 1.00 0.00 O ATOM 0 H GLU B 22 -7.894 -16.966 6.711 1.00 0.00 H new ATOM 0 HA GLU B 22 -9.493 -19.231 5.837 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.157 -19.052 3.789 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.854 -17.501 4.214 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.701 -16.801 5.268 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.998 -18.364 4.903 1.00 0.00 H new ATOM 1772 N GLY B 23 -6.427 -19.556 6.933 1.00 0.00 N ATOM 1773 CA GLY B 23 -5.496 -20.570 7.420 1.00 0.00 C ATOM 1774 C GLY B 23 -4.041 -20.208 7.155 1.00 0.00 C ATOM 1775 O GLY B 23 -3.147 -20.702 7.844 1.00 0.00 O ATOM 0 H GLY B 23 -6.134 -18.592 7.090 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.643 -20.707 8.491 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.722 -21.524 6.943 1.00 0.00 H new ATOM 1779 N ASP B 24 -3.795 -19.369 6.153 1.00 0.00 N ATOM 1780 CA ASP B 24 -2.421 -18.992 5.797 1.00 0.00 C ATOM 1781 C ASP B 24 -1.816 -18.080 6.847 1.00 0.00 C ATOM 1782 O ASP B 24 -2.529 -17.310 7.497 1.00 0.00 O ATOM 1783 CB ASP B 24 -2.367 -18.295 4.434 1.00 0.00 C ATOM 1784 CG ASP B 24 -0.955 -18.361 3.877 1.00 0.00 C ATOM 1785 OD1 ASP B 24 -0.097 -17.665 4.381 1.00 0.00 O ATOM 1786 OD2 ASP B 24 -0.748 -19.123 2.957 1.00 0.00 O ATOM 0 H ASP B 24 -4.517 -18.938 5.576 1.00 0.00 H new ATOM 0 HA ASP B 24 -1.843 -19.914 5.745 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.063 -18.772 3.744 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -2.680 -17.256 4.534 1.00 0.00 H new ATOM 1791 N LYS B 25 -0.498 -18.112 6.963 1.00 0.00 N ATOM 1792 CA LYS B 25 0.196 -17.197 7.853 1.00 0.00 C ATOM 1793 C LYS B 25 0.065 -15.781 7.317 1.00 0.00 C ATOM 1794 O LYS B 25 -0.243 -14.835 8.066 1.00 0.00 O ATOM 1795 CB LYS B 25 1.686 -17.564 8.027 1.00 0.00 C ATOM 1796 CG LYS B 25 2.226 -18.341 6.810 1.00 0.00 C ATOM 1797 CD LYS B 25 1.941 -19.839 6.966 1.00 0.00 C ATOM 1798 CE LYS B 25 2.633 -20.615 5.833 1.00 0.00 C ATOM 1799 NZ LYS B 25 3.287 -21.821 6.396 1.00 0.00 N ATOM 0 H LYS B 25 0.108 -18.757 6.456 1.00 0.00 H new ATOM 0 HA LYS B 25 -0.267 -17.271 8.837 1.00 0.00 H new ATOM 0 HB2 LYS B 25 2.271 -16.655 8.168 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.810 -18.165 8.927 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.761 -17.969 5.897 1.00 0.00 H new ATOM 0 HG3 LYS B 25 3.299 -18.176 6.712 1.00 0.00 H new ATOM 0 HD2 LYS B 25 2.301 -20.189 7.933 1.00 0.00 H new ATOM 0 HD3 LYS B 25 0.866 -20.020 6.941 1.00 0.00 H new ATOM 0 HE2 LYS B 25 1.904 -20.902 5.075 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.372 -19.982 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.757 -22.349 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.993 -21.535 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 2.571 -22.426 6.846 1.00 0.00 H new ATOM 1813 N TYR B 26 0.193 -15.650 6.000 1.00 0.00 N ATOM 1814 CA TYR B 26 -0.034 -14.378 5.338 1.00 0.00 C ATOM 1815 C TYR B 26 -0.455 -14.575 3.894 1.00 0.00 C ATOM 1816 O TYR B 26 0.349 -14.405 2.974 1.00 0.00 O ATOM 1817 CB TYR B 26 1.219 -13.485 5.392 1.00 0.00 C ATOM 1818 CG TYR B 26 2.454 -14.342 5.308 1.00 0.00 C ATOM 1819 CD1 TYR B 26 2.959 -14.934 6.461 1.00 0.00 C ATOM 1820 CD2 TYR B 26 3.086 -14.548 4.079 1.00 0.00 C ATOM 1821 CE1 TYR B 26 4.097 -15.739 6.394 1.00 0.00 C ATOM 1822 CE2 TYR B 26 4.227 -15.351 4.007 1.00 0.00 C ATOM 1823 CZ TYR B 26 4.732 -15.948 5.164 1.00 0.00 C ATOM 1824 OH TYR B 26 5.848 -16.746 5.095 1.00 0.00 O ATOM 0 H TYR B 26 0.453 -16.412 5.374 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.842 -13.881 5.875 1.00 0.00 H new ATOM 0 HB2 TYR B 26 1.204 -12.770 4.570 1.00 0.00 H new ATOM 0 HB3 TYR B 26 1.227 -12.908 6.317 1.00 0.00 H new ATOM 0 HD1 TYR B 26 2.470 -14.770 7.410 1.00 0.00 H new ATOM 0 HD2 TYR B 26 2.693 -14.087 3.185 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.487 -16.200 7.289 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.718 -15.510 3.058 1.00 0.00 H new ATOM 0 HH TYR B 26 6.636 -16.191 4.919 1.00 0.00 H new ATOM 1834 N LYS B 27 -1.745 -14.610 3.710 1.00 0.00 N ATOM 1835 CA LYS B 27 -2.385 -14.506 2.412 1.00 0.00 C ATOM 1836 C LYS B 27 -3.778 -14.024 2.665 1.00 0.00 C ATOM 1837 O LYS B 27 -4.297 -14.203 3.771 1.00 0.00 O ATOM 1838 CB LYS B 27 -2.450 -15.845 1.663 1.00 0.00 C ATOM 1839 CG LYS B 27 -1.045 -16.372 1.329 1.00 0.00 C ATOM 1840 CD LYS B 27 -0.413 -15.537 0.195 1.00 0.00 C ATOM 1841 CE LYS B 27 -0.856 -16.070 -1.178 1.00 0.00 C ATOM 1842 NZ LYS B 27 -0.881 -17.554 -1.162 1.00 0.00 N ATOM 0 H LYS B 27 -2.408 -14.715 4.478 1.00 0.00 H new ATOM 0 HA LYS B 27 -1.805 -13.829 1.785 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.980 -16.578 2.271 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -3.022 -15.721 0.743 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -0.413 -16.329 2.216 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.104 -17.418 1.029 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -0.706 -14.492 0.298 1.00 0.00 H new ATOM 0 HD3 LYS B 27 0.674 -15.572 0.272 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -1.845 -15.684 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -0.174 -15.718 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.929 -17.911 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.018 -17.911 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -1.714 -17.881 -0.632 1.00 0.00 H new ATOM 1856 N LEU B 28 -4.383 -13.399 1.701 1.00 0.00 N ATOM 1857 CA LEU B 28 -5.715 -12.917 1.903 1.00 0.00 C ATOM 1858 C LEU B 28 -6.649 -13.443 0.833 1.00 0.00 C ATOM 1859 O LEU B 28 -6.410 -13.268 -0.362 1.00 0.00 O ATOM 1860 CB LEU B 28 -5.696 -11.390 1.959 1.00 0.00 C ATOM 1861 CG LEU B 28 -7.108 -10.828 2.090 1.00 0.00 C ATOM 1862 CD1 LEU B 28 -7.674 -11.186 3.458 1.00 0.00 C ATOM 1863 CD2 LEU B 28 -7.044 -9.311 1.961 1.00 0.00 C ATOM 0 H LEU B 28 -3.984 -13.213 0.781 1.00 0.00 H new ATOM 0 HA LEU B 28 -6.098 -13.287 2.854 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -5.091 -11.061 2.804 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -5.226 -10.996 1.058 1.00 0.00 H new ATOM 0 HG LEU B 28 -7.746 -11.247 1.312 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -8.683 -10.784 3.551 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -7.704 -12.270 3.567 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.041 -10.760 4.236 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -8.047 -8.895 2.053 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -6.410 -8.905 2.749 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.629 -9.046 0.989 1.00 0.00 H new ATOM 1875 N SER B 29 -7.701 -14.101 1.256 1.00 0.00 N ATOM 1876 CA SER B 29 -8.704 -14.594 0.345 1.00 0.00 C ATOM 1877 C SER B 29 -9.776 -13.547 0.112 1.00 0.00 C ATOM 1878 O SER B 29 -9.904 -12.578 0.876 1.00 0.00 O ATOM 1879 CB SER B 29 -9.298 -15.888 0.870 1.00 0.00 C ATOM 1880 OG SER B 29 -9.579 -15.748 2.255 1.00 0.00 O ATOM 0 H SER B 29 -7.885 -14.309 2.237 1.00 0.00 H new ATOM 0 HA SER B 29 -8.234 -14.803 -0.616 1.00 0.00 H new ATOM 0 HB2 SER B 29 -10.210 -16.130 0.325 1.00 0.00 H new ATOM 0 HB3 SER B 29 -8.603 -16.712 0.710 1.00 0.00 H new ATOM 0 HG SER B 29 -8.778 -15.968 2.775 1.00 0.00 H new ATOM 1886 N LYS B 30 -10.601 -13.771 -0.882 1.00 0.00 N ATOM 1887 CA LYS B 30 -11.714 -12.881 -1.143 1.00 0.00 C ATOM 1888 C LYS B 30 -12.780 -13.080 -0.068 1.00 0.00 C ATOM 1889 O LYS B 30 -13.770 -12.342 -0.005 1.00 0.00 O ATOM 1890 CB LYS B 30 -12.311 -13.151 -2.527 1.00 0.00 C ATOM 1891 CG LYS B 30 -11.204 -13.252 -3.596 1.00 0.00 C ATOM 1892 CD LYS B 30 -10.413 -11.929 -3.687 1.00 0.00 C ATOM 1893 CE LYS B 30 -10.813 -11.142 -4.953 1.00 0.00 C ATOM 1894 NZ LYS B 30 -11.227 -12.071 -6.045 1.00 0.00 N ATOM 0 H LYS B 30 -10.526 -14.560 -1.524 1.00 0.00 H new ATOM 0 HA LYS B 30 -11.357 -11.852 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -12.886 -14.077 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -13.004 -12.352 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.527 -14.070 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -11.647 -13.485 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -10.603 -11.324 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -9.344 -12.139 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.631 -10.460 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.974 -10.531 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.037 -11.629 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.689 -12.958 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -12.244 -12.274 -5.961 1.00 0.00 H new ATOM 1908 N LYS B 31 -12.545 -14.064 0.793 1.00 0.00 N ATOM 1909 CA LYS B 31 -13.454 -14.389 1.882 1.00 0.00 C ATOM 1910 C LYS B 31 -13.544 -13.191 2.788 1.00 0.00 C ATOM 1911 O LYS B 31 -14.595 -12.889 3.349 1.00 0.00 O ATOM 1912 CB LYS B 31 -12.827 -15.513 2.713 1.00 0.00 C ATOM 1913 CG LYS B 31 -12.621 -16.749 1.853 1.00 0.00 C ATOM 1914 CD LYS B 31 -11.930 -17.834 2.673 1.00 0.00 C ATOM 1915 CE LYS B 31 -11.553 -18.983 1.746 1.00 0.00 C ATOM 1916 NZ LYS B 31 -12.765 -19.759 1.377 1.00 0.00 N ATOM 0 H LYS B 31 -11.717 -14.659 0.754 1.00 0.00 H new ATOM 0 HA LYS B 31 -14.428 -14.675 1.486 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.872 -15.183 3.123 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -13.471 -15.753 3.559 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.581 -17.113 1.485 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -12.019 -16.500 0.979 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -11.040 -17.432 3.157 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -12.591 -18.188 3.464 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -11.073 -18.594 0.848 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -10.830 -19.634 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -12.487 -20.598 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -13.262 -20.058 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -13.396 -19.165 0.803 1.00 0.00 H new ATOM 1930 N GLU B 32 -12.388 -12.601 3.018 1.00 0.00 N ATOM 1931 CA GLU B 32 -12.238 -11.524 3.958 1.00 0.00 C ATOM 1932 C GLU B 32 -11.969 -10.202 3.246 1.00 0.00 C ATOM 1933 O GLU B 32 -12.306 -9.148 3.755 1.00 0.00 O ATOM 1934 CB GLU B 32 -11.048 -11.835 4.868 1.00 0.00 C ATOM 1935 CG GLU B 32 -11.300 -13.126 5.671 1.00 0.00 C ATOM 1936 CD GLU B 32 -12.339 -12.899 6.756 1.00 0.00 C ATOM 1937 OE1 GLU B 32 -12.145 -12.002 7.568 1.00 0.00 O ATOM 1938 OE2 GLU B 32 -13.303 -13.621 6.779 1.00 0.00 O ATOM 0 H GLU B 32 -11.521 -12.864 2.549 1.00 0.00 H new ATOM 0 HA GLU B 32 -13.161 -11.431 4.530 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -10.144 -11.944 4.269 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -10.879 -11.003 5.551 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -11.637 -13.916 5.000 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -10.367 -13.466 6.121 1.00 0.00 H new ATOM 1945 N LEU B 33 -11.230 -10.252 2.135 1.00 0.00 N ATOM 1946 CA LEU B 33 -10.722 -9.019 1.524 1.00 0.00 C ATOM 1947 C LEU B 33 -11.839 -8.053 1.183 1.00 0.00 C ATOM 1948 O LEU B 33 -11.783 -6.883 1.559 1.00 0.00 O ATOM 1949 CB LEU B 33 -9.903 -9.344 0.254 1.00 0.00 C ATOM 1950 CG LEU B 33 -9.420 -8.055 -0.472 1.00 0.00 C ATOM 1951 CD1 LEU B 33 -10.557 -7.446 -1.304 1.00 0.00 C ATOM 1952 CD2 LEU B 33 -8.890 -7.011 0.531 1.00 0.00 C ATOM 0 H LEU B 33 -10.974 -11.111 1.648 1.00 0.00 H new ATOM 0 HA LEU B 33 -10.077 -8.537 2.259 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -9.040 -9.953 0.525 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -10.511 -9.938 -0.428 1.00 0.00 H new ATOM 0 HG LEU B 33 -8.603 -8.339 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -10.200 -6.546 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -10.889 -8.168 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -11.391 -7.191 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -8.561 -6.123 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -9.684 -6.739 1.227 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -8.050 -7.432 1.084 1.00 0.00 H new ATOM 1964 N LYS B 34 -12.872 -8.535 0.530 1.00 0.00 N ATOM 1965 CA LYS B 34 -13.977 -7.659 0.186 1.00 0.00 C ATOM 1966 C LYS B 34 -14.670 -7.152 1.432 1.00 0.00 C ATOM 1967 O LYS B 34 -15.062 -5.988 1.507 1.00 0.00 O ATOM 1968 CB LYS B 34 -14.965 -8.341 -0.764 1.00 0.00 C ATOM 1969 CG LYS B 34 -15.547 -9.608 -0.128 1.00 0.00 C ATOM 1970 CD LYS B 34 -16.515 -10.258 -1.121 1.00 0.00 C ATOM 1971 CE LYS B 34 -17.151 -11.500 -0.502 1.00 0.00 C ATOM 1972 NZ LYS B 34 -16.124 -12.562 -0.317 1.00 0.00 N ATOM 0 H LYS B 34 -12.974 -9.505 0.231 1.00 0.00 H new ATOM 0 HA LYS B 34 -13.565 -6.800 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.771 -7.651 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -14.462 -8.595 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.747 -10.303 0.130 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -16.066 -9.361 0.798 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -17.290 -9.546 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -15.984 -10.529 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -17.601 -11.248 0.458 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -17.952 -11.866 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -16.251 -13.297 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -15.175 -12.147 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -16.228 -12.985 0.627 1.00 0.00 H new ATOM 1986 N GLU B 35 -14.804 -8.028 2.412 1.00 0.00 N ATOM 1987 CA GLU B 35 -15.435 -7.679 3.665 1.00 0.00 C ATOM 1988 C GLU B 35 -14.529 -6.704 4.429 1.00 0.00 C ATOM 1989 O GLU B 35 -14.956 -5.625 4.849 1.00 0.00 O ATOM 1990 CB GLU B 35 -15.627 -8.953 4.498 1.00 0.00 C ATOM 1991 CG GLU B 35 -16.432 -10.001 3.698 1.00 0.00 C ATOM 1992 CD GLU B 35 -17.828 -9.511 3.381 1.00 0.00 C ATOM 1993 OE1 GLU B 35 -18.528 -9.139 4.294 1.00 0.00 O ATOM 1994 OE2 GLU B 35 -18.189 -9.531 2.226 1.00 0.00 O ATOM 0 H GLU B 35 -14.480 -8.994 2.359 1.00 0.00 H new ATOM 0 HA GLU B 35 -16.402 -7.211 3.478 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -14.656 -9.364 4.775 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -16.148 -8.714 5.425 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -15.908 -10.232 2.771 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -16.492 -10.927 4.269 1.00 0.00 H new ATOM 2001 N LEU B 36 -13.257 -7.072 4.549 1.00 0.00 N ATOM 2002 CA LEU B 36 -12.259 -6.241 5.214 1.00 0.00 C ATOM 2003 C LEU B 36 -12.039 -4.925 4.495 1.00 0.00 C ATOM 2004 O LEU B 36 -11.973 -3.868 5.130 1.00 0.00 O ATOM 2005 CB LEU B 36 -10.926 -7.039 5.393 1.00 0.00 C ATOM 2006 CG LEU B 36 -9.691 -6.291 4.822 1.00 0.00 C ATOM 2007 CD1 LEU B 36 -9.248 -5.172 5.761 1.00 0.00 C ATOM 2008 CD2 LEU B 36 -8.531 -7.284 4.646 1.00 0.00 C ATOM 0 H LEU B 36 -12.890 -7.953 4.189 1.00 0.00 H new ATOM 0 HA LEU B 36 -12.639 -5.985 6.203 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.766 -7.236 6.453 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -11.019 -8.006 4.899 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.967 -5.855 3.862 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.381 -4.664 5.338 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -10.062 -4.458 5.886 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -8.984 -5.594 6.731 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.662 -6.762 4.245 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.277 -7.722 5.611 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.829 -8.074 3.956 1.00 0.00 H new ATOM 2020 N LEU B 37 -11.894 -4.988 3.183 1.00 0.00 N ATOM 2021 CA LEU B 37 -11.576 -3.795 2.413 1.00 0.00 C ATOM 2022 C LEU B 37 -12.677 -2.760 2.535 1.00 0.00 C ATOM 2023 O LEU B 37 -12.415 -1.606 2.870 1.00 0.00 O ATOM 2024 CB LEU B 37 -11.302 -4.159 0.934 1.00 0.00 C ATOM 2025 CG LEU B 37 -10.978 -2.909 0.081 1.00 0.00 C ATOM 2026 CD1 LEU B 37 -12.265 -2.186 -0.327 1.00 0.00 C ATOM 2027 CD2 LEU B 37 -10.066 -1.949 0.849 1.00 0.00 C ATOM 0 H LEU B 37 -11.990 -5.841 2.632 1.00 0.00 H new ATOM 0 HA LEU B 37 -10.667 -3.354 2.823 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -10.469 -4.860 0.881 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -12.172 -4.666 0.518 1.00 0.00 H new ATOM 0 HG LEU B 37 -10.459 -3.242 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -12.016 -1.310 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -12.891 -2.860 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -12.805 -1.873 0.566 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -9.851 -1.078 0.230 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -10.563 -1.630 1.765 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -9.133 -2.455 1.099 1.00 0.00 H new ATOM 2039 N GLN B 38 -13.916 -3.188 2.380 1.00 0.00 N ATOM 2040 CA GLN B 38 -15.023 -2.270 2.553 1.00 0.00 C ATOM 2041 C GLN B 38 -15.106 -1.819 3.998 1.00 0.00 C ATOM 2042 O GLN B 38 -15.397 -0.660 4.279 1.00 0.00 O ATOM 2043 CB GLN B 38 -16.347 -2.905 2.098 1.00 0.00 C ATOM 2044 CG GLN B 38 -16.746 -4.041 3.039 1.00 0.00 C ATOM 2045 CD GLN B 38 -17.911 -4.812 2.449 1.00 0.00 C ATOM 2046 OE1 GLN B 38 -19.067 -4.540 2.773 1.00 0.00 O ATOM 2047 NE2 GLN B 38 -17.676 -5.755 1.594 1.00 0.00 N ATOM 0 H GLN B 38 -14.177 -4.144 2.140 1.00 0.00 H new ATOM 0 HA GLN B 38 -14.846 -1.396 1.926 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -17.132 -2.149 2.078 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -16.245 -3.286 1.082 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -15.899 -4.709 3.197 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -17.021 -3.638 4.014 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -16.716 -5.976 1.329 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -18.451 -6.277 1.185 1.00 0.00 H new ATOM 2056 N THR B 39 -14.908 -2.762 4.909 1.00 0.00 N ATOM 2057 CA THR B 39 -15.010 -2.485 6.328 1.00 0.00 C ATOM 2058 C THR B 39 -13.934 -1.512 6.814 1.00 0.00 C ATOM 2059 O THR B 39 -14.243 -0.498 7.448 1.00 0.00 O ATOM 2060 CB THR B 39 -14.893 -3.804 7.097 1.00 0.00 C ATOM 2061 OG1 THR B 39 -15.965 -4.662 6.739 1.00 0.00 O ATOM 2062 CG2 THR B 39 -14.911 -3.551 8.600 1.00 0.00 C ATOM 0 H THR B 39 -14.675 -3.729 4.685 1.00 0.00 H new ATOM 0 HA THR B 39 -15.975 -2.012 6.509 1.00 0.00 H new ATOM 0 HB THR B 39 -13.947 -4.278 6.837 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.841 -4.973 5.818 1.00 0.00 H new ATOM 0 HG21 THR B 39 -14.827 -4.500 9.130 1.00 0.00 H new ATOM 0 HG22 THR B 39 -14.073 -2.909 8.871 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.846 -3.063 8.876 1.00 0.00 H new ATOM 2070 N GLU B 40 -12.675 -1.829 6.550 1.00 0.00 N ATOM 2071 CA GLU B 40 -11.594 -0.998 7.058 1.00 0.00 C ATOM 2072 C GLU B 40 -11.526 0.341 6.362 1.00 0.00 C ATOM 2073 O GLU B 40 -11.258 1.360 6.992 1.00 0.00 O ATOM 2074 CB GLU B 40 -10.247 -1.722 7.012 1.00 0.00 C ATOM 2075 CG GLU B 40 -10.251 -2.905 8.007 1.00 0.00 C ATOM 2076 CD GLU B 40 -10.436 -2.430 9.450 1.00 0.00 C ATOM 2077 OE1 GLU B 40 -10.228 -1.274 9.720 1.00 0.00 O ATOM 2078 OE2 GLU B 40 -10.803 -3.235 10.264 1.00 0.00 O ATOM 0 H GLU B 40 -12.381 -2.636 6.000 1.00 0.00 H new ATOM 0 HA GLU B 40 -11.822 -0.801 8.106 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -10.054 -2.085 6.003 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -9.443 -1.029 7.261 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -11.052 -3.597 7.746 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -9.314 -3.455 7.922 1.00 0.00 H new ATOM 2085 N LEU B 41 -11.782 0.343 5.074 1.00 0.00 N ATOM 2086 CA LEU B 41 -11.764 1.570 4.301 1.00 0.00 C ATOM 2087 C LEU B 41 -13.163 2.146 4.188 1.00 0.00 C ATOM 2088 O LEU B 41 -13.522 2.726 3.165 1.00 0.00 O ATOM 2089 CB LEU B 41 -11.153 1.331 2.909 1.00 0.00 C ATOM 2090 CG LEU B 41 -9.626 1.517 2.973 1.00 0.00 C ATOM 2091 CD1 LEU B 41 -8.998 0.409 3.824 1.00 0.00 C ATOM 2092 CD2 LEU B 41 -9.038 1.472 1.559 1.00 0.00 C ATOM 0 H LEU B 41 -12.006 -0.493 4.535 1.00 0.00 H new ATOM 0 HA LEU B 41 -11.137 2.295 4.821 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -11.392 0.325 2.564 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -11.584 2.026 2.188 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.407 2.484 3.426 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.918 0.549 3.864 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.406 0.450 4.834 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -9.222 -0.561 3.381 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -7.957 1.604 1.610 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -9.265 0.509 1.101 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.473 2.271 0.958 1.00 0.00 H new ATOM 2104 N SER B 42 -13.957 1.979 5.240 1.00 0.00 N ATOM 2105 CA SER B 42 -15.333 2.445 5.221 1.00 0.00 C ATOM 2106 C SER B 42 -15.395 3.920 4.839 1.00 0.00 C ATOM 2107 O SER B 42 -16.201 4.312 3.991 1.00 0.00 O ATOM 2108 CB SER B 42 -15.995 2.235 6.592 1.00 0.00 C ATOM 2109 OG SER B 42 -16.102 0.839 6.869 1.00 0.00 O ATOM 0 H SER B 42 -13.672 1.528 6.109 1.00 0.00 H new ATOM 0 HA SER B 42 -15.875 1.864 4.475 1.00 0.00 H new ATOM 0 HB2 SER B 42 -15.408 2.725 7.368 1.00 0.00 H new ATOM 0 HB3 SER B 42 -16.984 2.694 6.603 1.00 0.00 H new ATOM 0 HG SER B 42 -15.352 0.559 7.435 1.00 0.00 H new ATOM 2115 N GLY B 43 -14.507 4.719 5.402 1.00 0.00 N ATOM 2116 CA GLY B 43 -14.461 6.135 5.074 1.00 0.00 C ATOM 2117 C GLY B 43 -14.087 6.338 3.618 1.00 0.00 C ATOM 2118 O GLY B 43 -14.770 7.061 2.883 1.00 0.00 O ATOM 0 H GLY B 43 -13.812 4.416 6.084 1.00 0.00 H new ATOM 0 HA2 GLY B 43 -15.431 6.591 5.272 1.00 0.00 H new ATOM 0 HA3 GLY B 43 -13.736 6.638 5.714 1.00 0.00 H new ATOM 2122 N PHE B 44 -13.050 5.634 3.177 1.00 0.00 N ATOM 2123 CA PHE B 44 -12.620 5.700 1.781 1.00 0.00 C ATOM 2124 C PHE B 44 -13.697 5.146 0.881 1.00 0.00 C ATOM 2125 O PHE B 44 -14.040 5.741 -0.139 1.00 0.00 O ATOM 2126 CB PHE B 44 -11.317 4.925 1.574 1.00 0.00 C ATOM 2127 CG PHE B 44 -10.164 5.693 2.172 1.00 0.00 C ATOM 2128 CD1 PHE B 44 -9.503 6.658 1.416 1.00 0.00 C ATOM 2129 CD2 PHE B 44 -9.756 5.430 3.474 1.00 0.00 C ATOM 2130 CE1 PHE B 44 -8.431 7.368 1.971 1.00 0.00 C ATOM 2131 CE2 PHE B 44 -8.686 6.135 4.031 1.00 0.00 C ATOM 2132 CZ PHE B 44 -8.024 7.104 3.280 1.00 0.00 C ATOM 0 H PHE B 44 -12.492 5.012 3.762 1.00 0.00 H new ATOM 0 HA PHE B 44 -12.442 6.745 1.527 1.00 0.00 H new ATOM 0 HB2 PHE B 44 -11.391 3.942 2.038 1.00 0.00 H new ATOM 0 HB3 PHE B 44 -11.145 4.763 0.510 1.00 0.00 H new ATOM 0 HD1 PHE B 44 -9.817 6.859 0.402 1.00 0.00 H new ATOM 0 HD2 PHE B 44 -10.267 4.678 4.057 1.00 0.00 H new ATOM 0 HE1 PHE B 44 -7.920 8.119 1.387 1.00 0.00 H new ATOM 0 HE2 PHE B 44 -8.372 5.929 5.044 1.00 0.00 H new ATOM 0 HZ PHE B 44 -7.197 7.650 3.710 1.00 0.00 H new ATOM 2142 N LEU B 45 -14.279 4.045 1.307 1.00 0.00 N ATOM 2143 CA LEU B 45 -15.365 3.430 0.588 1.00 0.00 C ATOM 2144 C LEU B 45 -16.541 4.374 0.494 1.00 0.00 C ATOM 2145 O LEU B 45 -17.044 4.626 -0.587 1.00 0.00 O ATOM 2146 CB LEU B 45 -15.753 2.105 1.279 1.00 0.00 C ATOM 2147 CG LEU B 45 -17.233 1.775 1.049 1.00 0.00 C ATOM 2148 CD1 LEU B 45 -17.563 1.746 -0.446 1.00 0.00 C ATOM 2149 CD2 LEU B 45 -17.554 0.417 1.670 1.00 0.00 C ATOM 0 H LEU B 45 -14.010 3.555 2.160 1.00 0.00 H new ATOM 0 HA LEU B 45 -15.048 3.207 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -15.133 1.295 0.894 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -15.555 2.178 2.348 1.00 0.00 H new ATOM 0 HG LEU B 45 -17.837 2.551 1.519 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -18.618 1.510 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -17.350 2.721 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -16.955 0.987 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -18.606 0.182 1.507 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -16.934 -0.351 1.206 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -17.351 0.449 2.740 1.00 0.00 H new ATOM 2161 N ASP B 46 -16.898 4.983 1.597 1.00 0.00 N ATOM 2162 CA ASP B 46 -17.966 5.964 1.590 1.00 0.00 C ATOM 2163 C ASP B 46 -17.589 7.160 0.738 1.00 0.00 C ATOM 2164 O ASP B 46 -18.410 7.684 -0.018 1.00 0.00 O ATOM 2165 CB ASP B 46 -18.282 6.399 3.010 1.00 0.00 C ATOM 2166 CG ASP B 46 -19.385 7.431 3.025 1.00 0.00 C ATOM 2167 OD1 ASP B 46 -20.467 7.122 2.586 1.00 0.00 O ATOM 2168 OD2 ASP B 46 -19.135 8.521 3.480 1.00 0.00 O ATOM 0 H ASP B 46 -16.471 4.822 2.509 1.00 0.00 H new ATOM 0 HA ASP B 46 -18.856 5.507 1.157 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -18.580 5.534 3.602 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -17.387 6.811 3.476 1.00 0.00 H new ATOM 2173 N ALA B 47 -16.340 7.575 0.850 1.00 0.00 N ATOM 2174 CA ALA B 47 -15.826 8.701 0.085 1.00 0.00 C ATOM 2175 C ALA B 47 -15.776 8.377 -1.395 1.00 0.00 C ATOM 2176 O ALA B 47 -15.857 9.276 -2.236 1.00 0.00 O ATOM 2177 CB ALA B 47 -14.432 9.089 0.573 1.00 0.00 C ATOM 0 H ALA B 47 -15.655 7.144 1.471 1.00 0.00 H new ATOM 0 HA ALA B 47 -16.504 9.541 0.235 1.00 0.00 H new ATOM 0 HB1 ALA B 47 -14.064 9.933 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -14.480 9.369 1.625 1.00 0.00 H new ATOM 0 HB3 ALA B 47 -13.756 8.242 0.453 1.00 0.00 H new ATOM 2183 N GLN B 48 -15.453 7.127 -1.699 1.00 0.00 N ATOM 2184 CA GLN B 48 -15.238 6.689 -3.074 1.00 0.00 C ATOM 2185 C GLN B 48 -16.346 5.746 -3.552 1.00 0.00 C ATOM 2186 O GLN B 48 -16.200 5.080 -4.574 1.00 0.00 O ATOM 2187 CB GLN B 48 -13.867 6.018 -3.199 1.00 0.00 C ATOM 2188 CG GLN B 48 -12.773 7.036 -2.843 1.00 0.00 C ATOM 2189 CD GLN B 48 -12.759 8.173 -3.859 1.00 0.00 C ATOM 2190 OE1 GLN B 48 -12.156 8.047 -4.925 1.00 0.00 O ATOM 2191 NE2 GLN B 48 -13.411 9.269 -3.611 1.00 0.00 N ATOM 0 H GLN B 48 -15.333 6.390 -1.004 1.00 0.00 H new ATOM 0 HA GLN B 48 -15.266 7.570 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -13.809 5.156 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -13.721 5.649 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -12.948 7.434 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.801 6.544 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -13.911 9.376 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -13.422 10.022 -4.299 1.00 0.00 H new ATOM 2200 N LYS B 49 -17.420 5.659 -2.790 1.00 0.00 N ATOM 2201 CA LYS B 49 -18.525 4.755 -3.108 1.00 0.00 C ATOM 2202 C LYS B 49 -19.106 5.100 -4.471 1.00 0.00 C ATOM 2203 O LYS B 49 -19.391 4.219 -5.290 1.00 0.00 O ATOM 2204 CB LYS B 49 -19.631 4.900 -2.046 1.00 0.00 C ATOM 2205 CG LYS B 49 -20.739 3.866 -2.302 1.00 0.00 C ATOM 2206 CD LYS B 49 -22.080 4.576 -2.565 1.00 0.00 C ATOM 2207 CE LYS B 49 -23.028 4.380 -1.376 1.00 0.00 C ATOM 2208 NZ LYS B 49 -22.749 5.410 -0.338 1.00 0.00 N ATOM 0 H LYS B 49 -17.557 6.205 -1.939 1.00 0.00 H new ATOM 0 HA LYS B 49 -18.150 3.732 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -19.212 4.758 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -20.047 5.907 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -20.475 3.244 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -20.833 3.203 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -21.910 5.640 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -22.537 4.181 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -24.064 4.455 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -22.899 3.382 -0.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -23.393 5.275 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -21.765 5.318 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -22.893 6.358 -0.742 1.00 0.00 H new ATOM 2222 N ASP B 50 -19.300 6.382 -4.685 1.00 0.00 N ATOM 2223 CA ASP B 50 -19.887 6.907 -5.908 1.00 0.00 C ATOM 2224 C ASP B 50 -18.797 7.298 -6.894 1.00 0.00 C ATOM 2225 O ASP B 50 -19.012 8.136 -7.778 1.00 0.00 O ATOM 2226 CB ASP B 50 -20.759 8.126 -5.574 1.00 0.00 C ATOM 2227 CG ASP B 50 -21.559 8.566 -6.781 1.00 0.00 C ATOM 2228 OD1 ASP B 50 -22.218 7.735 -7.365 1.00 0.00 O ATOM 2229 OD2 ASP B 50 -21.510 9.737 -7.101 1.00 0.00 O ATOM 0 H ASP B 50 -19.053 7.103 -4.008 1.00 0.00 H new ATOM 0 HA ASP B 50 -20.505 6.135 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -21.435 7.881 -4.755 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -20.128 8.947 -5.232 1.00 0.00 H new ATOM 2234 N VAL B 51 -17.613 6.737 -6.705 1.00 0.00 N ATOM 2235 CA VAL B 51 -16.469 7.069 -7.534 1.00 0.00 C ATOM 2236 C VAL B 51 -16.075 5.871 -8.380 1.00 0.00 C ATOM 2237 O VAL B 51 -16.037 4.747 -7.899 1.00 0.00 O ATOM 2238 CB VAL B 51 -15.293 7.519 -6.651 1.00 0.00 C ATOM 2239 CG1 VAL B 51 -14.014 7.668 -7.487 1.00 0.00 C ATOM 2240 CG2 VAL B 51 -15.638 8.856 -5.990 1.00 0.00 C ATOM 0 H VAL B 51 -17.420 6.046 -5.980 1.00 0.00 H new ATOM 0 HA VAL B 51 -16.736 7.890 -8.200 1.00 0.00 H new ATOM 0 HB VAL B 51 -15.118 6.763 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -13.194 7.987 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -13.765 6.711 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -14.174 8.412 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -14.806 9.177 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -15.823 9.605 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -16.531 8.739 -5.376 1.00 0.00 H new ATOM 2250 N ASP B 52 -15.848 6.119 -9.653 1.00 0.00 N ATOM 2251 CA ASP B 52 -15.558 5.063 -10.615 1.00 0.00 C ATOM 2252 C ASP B 52 -14.314 4.273 -10.224 1.00 0.00 C ATOM 2253 O ASP B 52 -14.212 3.075 -10.505 1.00 0.00 O ATOM 2254 CB ASP B 52 -15.362 5.680 -11.999 1.00 0.00 C ATOM 2255 CG ASP B 52 -15.073 4.605 -13.020 1.00 0.00 C ATOM 2256 OD1 ASP B 52 -15.882 3.715 -13.157 1.00 0.00 O ATOM 2257 OD2 ASP B 52 -14.062 4.693 -13.663 1.00 0.00 O ATOM 0 H ASP B 52 -15.858 7.056 -10.055 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.401 4.373 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -16.256 6.233 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -14.540 6.395 -11.972 1.00 0.00 H new ATOM 2262 N ALA B 53 -13.351 4.960 -9.640 1.00 0.00 N ATOM 2263 CA ALA B 53 -12.074 4.349 -9.286 1.00 0.00 C ATOM 2264 C ALA B 53 -12.259 3.101 -8.431 1.00 0.00 C ATOM 2265 O ALA B 53 -11.497 2.143 -8.560 1.00 0.00 O ATOM 2266 CB ALA B 53 -11.182 5.352 -8.544 1.00 0.00 C ATOM 0 H ALA B 53 -13.425 5.948 -9.397 1.00 0.00 H new ATOM 0 HA ALA B 53 -11.592 4.054 -10.218 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -10.235 4.877 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -10.995 6.215 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -11.682 5.678 -7.632 1.00 0.00 H new ATOM 2272 N VAL B 54 -13.260 3.102 -7.557 1.00 0.00 N ATOM 2273 CA VAL B 54 -13.447 1.964 -6.670 1.00 0.00 C ATOM 2274 C VAL B 54 -13.643 0.695 -7.490 1.00 0.00 C ATOM 2275 O VAL B 54 -13.004 -0.330 -7.229 1.00 0.00 O ATOM 2276 CB VAL B 54 -14.624 2.193 -5.686 1.00 0.00 C ATOM 2277 CG1 VAL B 54 -15.972 2.166 -6.419 1.00 0.00 C ATOM 2278 CG2 VAL B 54 -14.614 1.119 -4.587 1.00 0.00 C ATOM 0 H VAL B 54 -13.937 3.857 -7.446 1.00 0.00 H new ATOM 0 HA VAL B 54 -12.549 1.849 -6.063 1.00 0.00 H new ATOM 0 HB VAL B 54 -14.495 3.177 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -16.778 2.329 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -15.992 2.952 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -16.105 1.197 -6.901 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -15.445 1.291 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -14.715 0.133 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -13.674 1.170 -4.037 1.00 0.00 H new ATOM 2288 N ASP B 55 -14.429 0.809 -8.553 1.00 0.00 N ATOM 2289 CA ASP B 55 -14.637 -0.296 -9.475 1.00 0.00 C ATOM 2290 C ASP B 55 -13.323 -0.719 -10.078 1.00 0.00 C ATOM 2291 O ASP B 55 -12.974 -1.889 -10.084 1.00 0.00 O ATOM 2292 CB ASP B 55 -15.564 0.153 -10.608 1.00 0.00 C ATOM 2293 CG ASP B 55 -15.748 -0.963 -11.623 1.00 0.00 C ATOM 2294 OD1 ASP B 55 -16.418 -1.924 -11.302 1.00 0.00 O ATOM 2295 OD2 ASP B 55 -15.236 -0.830 -12.718 1.00 0.00 O ATOM 0 H ASP B 55 -14.934 1.661 -8.797 1.00 0.00 H new ATOM 0 HA ASP B 55 -15.079 -1.129 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -16.532 0.444 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -15.148 1.033 -11.098 1.00 0.00 H new ATOM 2300 N LYS B 56 -12.601 0.254 -10.581 1.00 0.00 N ATOM 2301 CA LYS B 56 -11.340 0.015 -11.257 1.00 0.00 C ATOM 2302 C LYS B 56 -10.321 -0.594 -10.317 1.00 0.00 C ATOM 2303 O LYS B 56 -9.613 -1.534 -10.680 1.00 0.00 O ATOM 2304 CB LYS B 56 -10.809 1.349 -11.768 1.00 0.00 C ATOM 2305 CG LYS B 56 -11.716 1.860 -12.887 1.00 0.00 C ATOM 2306 CD LYS B 56 -11.268 3.259 -13.295 1.00 0.00 C ATOM 2307 CE LYS B 56 -11.729 3.560 -14.721 1.00 0.00 C ATOM 2308 NZ LYS B 56 -10.808 2.911 -15.676 1.00 0.00 N ATOM 0 H LYS B 56 -12.869 1.237 -10.535 1.00 0.00 H new ATOM 0 HA LYS B 56 -11.506 -0.682 -12.078 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -10.772 2.074 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -9.790 1.231 -12.136 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -11.672 1.187 -13.743 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -12.753 1.881 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -11.681 3.997 -12.607 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -10.183 3.335 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -12.745 3.195 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -11.748 4.637 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -10.990 3.273 -16.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -9.825 3.120 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -10.960 1.882 -15.660 1.00 0.00 H new ATOM 2322 N VAL B 57 -10.255 -0.066 -9.113 1.00 0.00 N ATOM 2323 CA VAL B 57 -9.322 -0.557 -8.126 1.00 0.00 C ATOM 2324 C VAL B 57 -9.725 -1.952 -7.706 1.00 0.00 C ATOM 2325 O VAL B 57 -8.913 -2.877 -7.654 1.00 0.00 O ATOM 2326 CB VAL B 57 -9.295 0.401 -6.922 1.00 0.00 C ATOM 2327 CG1 VAL B 57 -8.455 -0.190 -5.791 1.00 0.00 C ATOM 2328 CG2 VAL B 57 -8.692 1.745 -7.355 1.00 0.00 C ATOM 0 H VAL B 57 -10.840 0.707 -8.795 1.00 0.00 H new ATOM 0 HA VAL B 57 -8.318 -0.601 -8.549 1.00 0.00 H new ATOM 0 HB VAL B 57 -10.314 0.549 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -8.445 0.499 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -8.884 -1.142 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -7.435 -0.350 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -8.672 2.426 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -7.676 1.588 -7.718 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -9.299 2.177 -8.151 1.00 0.00 H new ATOM 2338 N MET B 58 -10.996 -2.096 -7.445 1.00 0.00 N ATOM 2339 CA MET B 58 -11.561 -3.354 -7.056 1.00 0.00 C ATOM 2340 C MET B 58 -11.516 -4.378 -8.197 1.00 0.00 C ATOM 2341 O MET B 58 -11.339 -5.575 -7.959 1.00 0.00 O ATOM 2342 CB MET B 58 -12.999 -3.132 -6.577 1.00 0.00 C ATOM 2343 CG MET B 58 -13.603 -4.449 -6.143 1.00 0.00 C ATOM 2344 SD MET B 58 -15.280 -4.170 -5.521 1.00 0.00 S ATOM 2345 CE MET B 58 -16.048 -3.732 -7.101 1.00 0.00 C ATOM 0 H MET B 58 -11.673 -1.335 -7.498 1.00 0.00 H new ATOM 0 HA MET B 58 -10.964 -3.766 -6.242 1.00 0.00 H new ATOM 0 HB2 MET B 58 -13.011 -2.425 -5.747 1.00 0.00 H new ATOM 0 HB3 MET B 58 -13.595 -2.694 -7.377 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.626 -5.144 -6.982 1.00 0.00 H new ATOM 0 HG3 MET B 58 -12.988 -4.905 -5.368 1.00 0.00 H new ATOM 0 HE1 MET B 58 -17.113 -3.963 -7.065 1.00 0.00 H new ATOM 0 HE2 MET B 58 -15.914 -2.666 -7.288 1.00 0.00 H new ATOM 0 HE3 MET B 58 -15.580 -4.302 -7.903 1.00 0.00 H new ATOM 2355 N LYS B 59 -11.812 -3.919 -9.407 1.00 0.00 N ATOM 2356 CA LYS B 59 -11.995 -4.807 -10.552 1.00 0.00 C ATOM 2357 C LYS B 59 -10.805 -5.730 -10.772 1.00 0.00 C ATOM 2358 O LYS B 59 -10.956 -6.955 -10.721 1.00 0.00 O ATOM 2359 CB LYS B 59 -12.262 -3.960 -11.820 1.00 0.00 C ATOM 2360 CG LYS B 59 -12.450 -4.838 -13.062 1.00 0.00 C ATOM 2361 CD LYS B 59 -13.715 -5.688 -12.902 1.00 0.00 C ATOM 2362 CE LYS B 59 -14.253 -6.087 -14.279 1.00 0.00 C ATOM 2363 NZ LYS B 59 -13.146 -6.592 -15.131 1.00 0.00 N ATOM 0 H LYS B 59 -11.931 -2.929 -9.623 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.852 -5.447 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -13.152 -3.349 -11.668 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.429 -3.275 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -12.529 -4.214 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -11.582 -5.482 -13.200 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -13.492 -6.580 -12.317 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -14.473 -5.128 -12.354 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -15.019 -6.855 -14.171 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -14.727 -5.229 -14.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -13.520 -7.283 -15.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -12.713 -5.798 -15.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -12.429 -7.050 -14.533 1.00 0.00 H new ATOM 2377 N GLU B 60 -9.620 -5.166 -10.986 1.00 0.00 N ATOM 2378 CA GLU B 60 -8.460 -6.004 -11.230 1.00 0.00 C ATOM 2379 C GLU B 60 -8.080 -6.802 -10.000 1.00 0.00 C ATOM 2380 O GLU B 60 -7.769 -7.989 -10.093 1.00 0.00 O ATOM 2381 CB GLU B 60 -7.266 -5.207 -11.774 1.00 0.00 C ATOM 2382 CG GLU B 60 -7.022 -3.956 -10.932 1.00 0.00 C ATOM 2383 CD GLU B 60 -5.670 -3.359 -11.279 1.00 0.00 C ATOM 2384 OE1 GLU B 60 -4.702 -4.091 -11.282 1.00 0.00 O ATOM 2385 OE2 GLU B 60 -5.612 -2.184 -11.547 1.00 0.00 O ATOM 0 H GLU B 60 -9.443 -4.161 -10.995 1.00 0.00 H new ATOM 0 HA GLU B 60 -8.745 -6.712 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -6.373 -5.833 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -7.453 -4.923 -12.810 1.00 0.00 H new ATOM 0 HG2 GLU B 60 -7.810 -3.225 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -7.058 -4.207 -9.872 1.00 0.00 H new ATOM 2392 N LEU B 61 -8.159 -6.175 -8.837 1.00 0.00 N ATOM 2393 CA LEU B 61 -7.842 -6.873 -7.604 1.00 0.00 C ATOM 2394 C LEU B 61 -8.799 -8.026 -7.392 1.00 0.00 C ATOM 2395 O LEU B 61 -8.385 -9.135 -7.034 1.00 0.00 O ATOM 2396 CB LEU B 61 -7.859 -5.925 -6.397 1.00 0.00 C ATOM 2397 CG LEU B 61 -6.507 -5.189 -6.264 1.00 0.00 C ATOM 2398 CD1 LEU B 61 -5.412 -6.159 -5.811 1.00 0.00 C ATOM 2399 CD2 LEU B 61 -6.104 -4.548 -7.596 1.00 0.00 C ATOM 0 H LEU B 61 -8.435 -5.200 -8.722 1.00 0.00 H new ATOM 0 HA LEU B 61 -6.830 -7.268 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -8.665 -5.199 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -8.063 -6.490 -5.487 1.00 0.00 H new ATOM 0 HG LEU B 61 -6.624 -4.405 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -4.466 -5.624 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -5.680 -6.585 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -5.309 -6.959 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -5.149 -4.035 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -6.010 -5.321 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -6.866 -3.830 -7.900 1.00 0.00 H new ATOM 2411 N ASP B 62 -10.076 -7.794 -7.659 1.00 0.00 N ATOM 2412 CA ASP B 62 -11.042 -8.863 -7.534 1.00 0.00 C ATOM 2413 C ASP B 62 -10.739 -9.978 -8.515 1.00 0.00 C ATOM 2414 O ASP B 62 -10.704 -11.144 -8.136 1.00 0.00 O ATOM 2415 CB ASP B 62 -12.478 -8.368 -7.707 1.00 0.00 C ATOM 2416 CG ASP B 62 -13.439 -9.533 -7.540 1.00 0.00 C ATOM 2417 OD1 ASP B 62 -13.329 -10.229 -6.552 1.00 0.00 O ATOM 2418 OD2 ASP B 62 -14.282 -9.709 -8.395 1.00 0.00 O ATOM 0 H ASP B 62 -10.456 -6.895 -7.956 1.00 0.00 H new ATOM 0 HA ASP B 62 -10.956 -9.255 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -12.698 -7.593 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -12.603 -7.918 -8.692 1.00 0.00 H new ATOM 2423 N GLU B 63 -10.438 -9.617 -9.752 1.00 0.00 N ATOM 2424 CA GLU B 63 -10.079 -10.618 -10.755 1.00 0.00 C ATOM 2425 C GLU B 63 -8.769 -11.274 -10.384 1.00 0.00 C ATOM 2426 O GLU B 63 -8.618 -12.493 -10.475 1.00 0.00 O ATOM 2427 CB GLU B 63 -9.934 -9.972 -12.117 1.00 0.00 C ATOM 2428 CG GLU B 63 -11.288 -9.463 -12.572 1.00 0.00 C ATOM 2429 CD GLU B 63 -11.161 -8.821 -13.922 1.00 0.00 C ATOM 2430 OE1 GLU B 63 -10.905 -9.532 -14.864 1.00 0.00 O ATOM 2431 OE2 GLU B 63 -11.322 -7.638 -14.004 1.00 0.00 O ATOM 0 H GLU B 63 -10.433 -8.654 -10.087 1.00 0.00 H new ATOM 0 HA GLU B 63 -10.871 -11.366 -10.791 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -9.220 -9.150 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -9.543 -10.693 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -12.000 -10.287 -12.616 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -11.677 -8.743 -11.852 1.00 0.00 H new ATOM 2438 N ASN B 64 -7.835 -10.459 -9.935 1.00 0.00 N ATOM 2439 CA ASN B 64 -6.538 -10.949 -9.514 1.00 0.00 C ATOM 2440 C ASN B 64 -6.713 -11.890 -8.357 1.00 0.00 C ATOM 2441 O ASN B 64 -6.089 -12.952 -8.303 1.00 0.00 O ATOM 2442 CB ASN B 64 -5.663 -9.794 -9.074 1.00 0.00 C ATOM 2443 CG ASN B 64 -5.110 -9.036 -10.273 1.00 0.00 C ATOM 2444 OD1 ASN B 64 -5.085 -9.560 -11.389 1.00 0.00 O ATOM 2445 ND2 ASN B 64 -4.661 -7.827 -10.113 1.00 0.00 N ATOM 0 H ASN B 64 -7.952 -9.449 -9.852 1.00 0.00 H new ATOM 0 HA ASN B 64 -6.067 -11.464 -10.351 1.00 0.00 H new ATOM 0 HB2 ASN B 64 -6.240 -9.115 -8.446 1.00 0.00 H new ATOM 0 HB3 ASN B 64 -4.840 -10.169 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN B 64 -4.288 -7.312 -10.910 1.00 0.00 H new ATOM 0 HD22 ASN B 64 -4.682 -7.393 -9.190 1.00 0.00 H new ATOM 2452 N GLY B 65 -7.604 -11.532 -7.452 1.00 0.00 N ATOM 2453 CA GLY B 65 -7.923 -12.388 -6.330 1.00 0.00 C ATOM 2454 C GLY B 65 -8.703 -13.589 -6.815 1.00 0.00 C ATOM 2455 O GLY B 65 -9.735 -13.944 -6.235 1.00 0.00 O ATOM 0 H GLY B 65 -8.120 -10.652 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -7.008 -12.712 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -8.506 -11.836 -5.593 1.00 0.00 H new ATOM 2459 N ASP B 66 -8.220 -14.194 -7.893 1.00 0.00 N ATOM 2460 CA ASP B 66 -8.851 -15.362 -8.483 1.00 0.00 C ATOM 2461 C ASP B 66 -8.844 -16.486 -7.486 1.00 0.00 C ATOM 2462 O ASP B 66 -9.784 -17.278 -7.404 1.00 0.00 O ATOM 2463 CB ASP B 66 -8.086 -15.785 -9.746 1.00 0.00 C ATOM 2464 CG ASP B 66 -8.858 -16.832 -10.529 1.00 0.00 C ATOM 2465 OD1 ASP B 66 -10.061 -16.897 -10.390 1.00 0.00 O ATOM 2466 OD2 ASP B 66 -8.229 -17.554 -11.278 1.00 0.00 O ATOM 0 H ASP B 66 -7.379 -13.886 -8.381 1.00 0.00 H new ATOM 0 HA ASP B 66 -9.879 -15.121 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -7.908 -14.913 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -7.110 -16.182 -9.468 1.00 0.00 H new ATOM 2471 N GLY B 67 -7.785 -16.531 -6.711 1.00 0.00 N ATOM 2472 CA GLY B 67 -7.643 -17.518 -5.658 1.00 0.00 C ATOM 2473 C GLY B 67 -7.319 -16.831 -4.349 1.00 0.00 C ATOM 2474 O GLY B 67 -8.001 -17.032 -3.335 1.00 0.00 O ATOM 0 H GLY B 67 -6.998 -15.887 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -8.564 -18.092 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -6.853 -18.224 -5.914 1.00 0.00 H new ATOM 2478 N GLU B 68 -6.281 -16.014 -4.376 1.00 0.00 N ATOM 2479 CA GLU B 68 -5.825 -15.286 -3.201 1.00 0.00 C ATOM 2480 C GLU B 68 -5.446 -13.872 -3.572 1.00 0.00 C ATOM 2481 O GLU B 68 -4.984 -13.624 -4.687 1.00 0.00 O ATOM 2482 CB GLU B 68 -4.594 -15.980 -2.621 1.00 0.00 C ATOM 2483 CG GLU B 68 -4.990 -17.323 -2.021 1.00 0.00 C ATOM 2484 CD GLU B 68 -3.742 -18.100 -1.656 1.00 0.00 C ATOM 2485 OE1 GLU B 68 -3.247 -18.806 -2.499 1.00 0.00 O ATOM 2486 OE2 GLU B 68 -3.284 -17.970 -0.541 1.00 0.00 O ATOM 0 H GLU B 68 -5.728 -15.835 -5.214 1.00 0.00 H new ATOM 0 HA GLU B 68 -6.633 -15.266 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -3.847 -16.127 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -4.137 -15.351 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -5.608 -17.170 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -5.589 -17.890 -2.734 1.00 0.00 H new ATOM 2493 N VAL B 69 -5.455 -13.000 -2.587 1.00 0.00 N ATOM 2494 CA VAL B 69 -4.906 -11.679 -2.743 1.00 0.00 C ATOM 2495 C VAL B 69 -3.800 -11.493 -1.696 1.00 0.00 C ATOM 2496 O VAL B 69 -3.980 -11.845 -0.526 1.00 0.00 O ATOM 2497 CB VAL B 69 -6.019 -10.598 -2.639 1.00 0.00 C ATOM 2498 CG1 VAL B 69 -6.901 -10.836 -1.415 1.00 0.00 C ATOM 2499 CG2 VAL B 69 -5.409 -9.197 -2.566 1.00 0.00 C ATOM 0 H VAL B 69 -5.842 -13.189 -1.662 1.00 0.00 H new ATOM 0 HA VAL B 69 -4.471 -11.561 -3.735 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.634 -10.672 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.671 -10.066 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -7.372 -11.816 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -6.290 -10.796 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.206 -8.457 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -4.766 -9.125 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -4.820 -9.009 -3.464 1.00 0.00 H new ATOM 2509 N ASP B 70 -2.612 -11.120 -2.145 1.00 0.00 N ATOM 2510 CA ASP B 70 -1.451 -11.045 -1.250 1.00 0.00 C ATOM 2511 C ASP B 70 -1.273 -9.639 -0.673 1.00 0.00 C ATOM 2512 O ASP B 70 -2.034 -8.726 -1.005 1.00 0.00 O ATOM 2513 CB ASP B 70 -0.181 -11.561 -1.956 1.00 0.00 C ATOM 2514 CG ASP B 70 1.078 -10.956 -1.363 1.00 0.00 C ATOM 2515 OD1 ASP B 70 1.554 -11.480 -0.375 1.00 0.00 O ATOM 2516 OD2 ASP B 70 1.550 -9.977 -1.897 1.00 0.00 O ATOM 0 H ASP B 70 -2.419 -10.865 -3.114 1.00 0.00 H new ATOM 0 HA ASP B 70 -1.635 -11.702 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -0.136 -12.647 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -0.233 -11.323 -3.018 1.00 0.00 H new ATOM 2521 N PHE B 71 -0.321 -9.479 0.242 1.00 0.00 N ATOM 2522 CA PHE B 71 -0.140 -8.202 0.929 1.00 0.00 C ATOM 2523 C PHE B 71 0.155 -7.090 -0.064 1.00 0.00 C ATOM 2524 O PHE B 71 -0.472 -6.026 -0.025 1.00 0.00 O ATOM 2525 CB PHE B 71 0.998 -8.284 1.954 1.00 0.00 C ATOM 2526 CG PHE B 71 1.050 -6.993 2.742 1.00 0.00 C ATOM 2527 CD1 PHE B 71 0.077 -6.745 3.714 1.00 0.00 C ATOM 2528 CD2 PHE B 71 2.062 -6.046 2.511 1.00 0.00 C ATOM 2529 CE1 PHE B 71 0.113 -5.566 4.456 1.00 0.00 C ATOM 2530 CE2 PHE B 71 2.093 -4.862 3.260 1.00 0.00 C ATOM 2531 CZ PHE B 71 1.121 -4.624 4.231 1.00 0.00 C ATOM 0 H PHE B 71 0.332 -10.210 0.524 1.00 0.00 H new ATOM 0 HA PHE B 71 -1.071 -7.978 1.451 1.00 0.00 H new ATOM 0 HB2 PHE B 71 0.839 -9.128 2.625 1.00 0.00 H new ATOM 0 HB3 PHE B 71 1.948 -8.454 1.448 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -0.705 -7.469 3.891 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.814 -6.230 1.758 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -0.640 -5.379 5.207 1.00 0.00 H new ATOM 0 HE2 PHE B 71 2.871 -4.133 3.085 1.00 0.00 H new ATOM 0 HZ PHE B 71 1.147 -3.712 4.809 1.00 0.00 H new ATOM 2541 N GLN B 72 1.060 -7.362 -0.993 1.00 0.00 N ATOM 2542 CA GLN B 72 1.405 -6.386 -2.019 1.00 0.00 C ATOM 2543 C GLN B 72 0.170 -6.009 -2.820 1.00 0.00 C ATOM 2544 O GLN B 72 -0.047 -4.844 -3.151 1.00 0.00 O ATOM 2545 CB GLN B 72 2.506 -6.947 -2.940 1.00 0.00 C ATOM 2546 CG GLN B 72 3.884 -6.603 -2.372 1.00 0.00 C ATOM 2547 CD GLN B 72 4.161 -5.122 -2.562 1.00 0.00 C ATOM 2548 OE1 GLN B 72 3.838 -4.322 -1.697 1.00 0.00 O ATOM 2549 NE2 GLN B 72 4.729 -4.706 -3.649 1.00 0.00 N ATOM 0 H GLN B 72 1.567 -8.245 -1.059 1.00 0.00 H new ATOM 0 HA GLN B 72 1.789 -5.487 -1.537 1.00 0.00 H new ATOM 0 HB2 GLN B 72 2.400 -8.028 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN B 72 2.402 -6.531 -3.942 1.00 0.00 H new ATOM 0 HG2 GLN B 72 3.925 -6.858 -1.313 1.00 0.00 H new ATOM 0 HG3 GLN B 72 4.652 -7.193 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN B 72 4.999 -5.374 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN B 72 4.907 -3.711 -3.783 1.00 0.00 H new ATOM 2558 N GLU B 73 -0.649 -6.992 -3.089 1.00 0.00 N ATOM 2559 CA GLU B 73 -1.909 -6.779 -3.772 1.00 0.00 C ATOM 2560 C GLU B 73 -2.886 -6.031 -2.842 1.00 0.00 C ATOM 2561 O GLU B 73 -3.596 -5.115 -3.260 1.00 0.00 O ATOM 2562 CB GLU B 73 -2.464 -8.140 -4.168 1.00 0.00 C ATOM 2563 CG GLU B 73 -1.537 -8.758 -5.235 1.00 0.00 C ATOM 2564 CD GLU B 73 -1.900 -10.206 -5.504 1.00 0.00 C ATOM 2565 OE1 GLU B 73 -2.791 -10.707 -4.859 1.00 0.00 O ATOM 2566 OE2 GLU B 73 -1.274 -10.802 -6.347 1.00 0.00 O ATOM 0 H GLU B 73 -0.466 -7.965 -2.843 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.768 -6.169 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.525 -8.792 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.476 -8.036 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -1.609 -8.185 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -0.501 -8.696 -4.901 1.00 0.00 H new ATOM 2573 N TYR B 74 -2.896 -6.434 -1.580 1.00 0.00 N ATOM 2574 CA TYR B 74 -3.758 -5.830 -0.558 1.00 0.00 C ATOM 2575 C TYR B 74 -3.453 -4.345 -0.349 1.00 0.00 C ATOM 2576 O TYR B 74 -4.368 -3.517 -0.326 1.00 0.00 O ATOM 2577 CB TYR B 74 -3.613 -6.623 0.756 1.00 0.00 C ATOM 2578 CG TYR B 74 -4.311 -5.946 1.928 1.00 0.00 C ATOM 2579 CD1 TYR B 74 -5.678 -5.634 1.874 1.00 0.00 C ATOM 2580 CD2 TYR B 74 -3.578 -5.661 3.091 1.00 0.00 C ATOM 2581 CE1 TYR B 74 -6.301 -5.037 2.973 1.00 0.00 C ATOM 2582 CE2 TYR B 74 -4.205 -5.064 4.189 1.00 0.00 C ATOM 2583 CZ TYR B 74 -5.565 -4.754 4.128 1.00 0.00 C ATOM 2584 OH TYR B 74 -6.181 -4.168 5.206 1.00 0.00 O ATOM 0 H TYR B 74 -2.308 -7.190 -1.229 1.00 0.00 H new ATOM 0 HA TYR B 74 -4.791 -5.882 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR B 74 -4.026 -7.623 0.620 1.00 0.00 H new ATOM 0 HB3 TYR B 74 -2.555 -6.744 0.988 1.00 0.00 H new ATOM 0 HD1 TYR B 74 -6.248 -5.855 0.984 1.00 0.00 H new ATOM 0 HD2 TYR B 74 -2.527 -5.904 3.138 1.00 0.00 H new ATOM 0 HE1 TYR B 74 -7.352 -4.794 2.930 1.00 0.00 H new ATOM 0 HE2 TYR B 74 -3.639 -4.843 5.082 1.00 0.00 H new ATOM 0 HH TYR B 74 -6.548 -3.299 4.941 1.00 0.00 H new ATOM 2594 N VAL B 75 -2.179 -4.006 -0.191 1.00 0.00 N ATOM 2595 CA VAL B 75 -1.811 -2.613 0.062 1.00 0.00 C ATOM 2596 C VAL B 75 -2.175 -1.688 -1.110 1.00 0.00 C ATOM 2597 O VAL B 75 -2.698 -0.589 -0.903 1.00 0.00 O ATOM 2598 CB VAL B 75 -0.324 -2.470 0.438 1.00 0.00 C ATOM 2599 CG1 VAL B 75 -0.092 -3.040 1.840 1.00 0.00 C ATOM 2600 CG2 VAL B 75 0.555 -3.231 -0.561 1.00 0.00 C ATOM 0 H VAL B 75 -1.396 -4.659 -0.232 1.00 0.00 H new ATOM 0 HA VAL B 75 -2.403 -2.294 0.920 1.00 0.00 H new ATOM 0 HB VAL B 75 -0.060 -1.413 0.416 1.00 0.00 H new ATOM 0 HG11 VAL B 75 0.960 -2.938 2.105 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -0.702 -2.494 2.560 1.00 0.00 H new ATOM 0 HG13 VAL B 75 -0.369 -4.094 1.855 1.00 0.00 H new ATOM 0 HG21 VAL B 75 1.603 -3.120 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL B 75 0.286 -4.287 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL B 75 0.402 -2.827 -1.562 1.00 0.00 H new ATOM 2610 N VAL B 76 -1.920 -2.130 -2.336 1.00 0.00 N ATOM 2611 CA VAL B 76 -2.233 -1.311 -3.498 1.00 0.00 C ATOM 2612 C VAL B 76 -3.735 -1.094 -3.615 1.00 0.00 C ATOM 2613 O VAL B 76 -4.192 -0.001 -3.972 1.00 0.00 O ATOM 2614 CB VAL B 76 -1.639 -1.919 -4.792 1.00 0.00 C ATOM 2615 CG1 VAL B 76 -2.237 -3.300 -5.065 1.00 0.00 C ATOM 2616 CG2 VAL B 76 -1.915 -0.998 -5.989 1.00 0.00 C ATOM 0 H VAL B 76 -1.504 -3.037 -2.549 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.767 -0.335 -3.361 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.563 -2.020 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.806 -3.709 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.015 -3.964 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -3.317 -3.212 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -1.492 -1.438 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.991 -0.877 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.459 -0.024 -5.812 1.00 0.00 H new ATOM 2626 N LEU B 77 -4.499 -2.129 -3.284 1.00 0.00 N ATOM 2627 CA LEU B 77 -5.949 -2.061 -3.371 1.00 0.00 C ATOM 2628 C LEU B 77 -6.466 -0.971 -2.448 1.00 0.00 C ATOM 2629 O LEU B 77 -7.213 -0.089 -2.873 1.00 0.00 O ATOM 2630 CB LEU B 77 -6.545 -3.421 -2.951 1.00 0.00 C ATOM 2631 CG LEU B 77 -8.093 -3.412 -2.981 1.00 0.00 C ATOM 2632 CD1 LEU B 77 -8.624 -3.145 -4.396 1.00 0.00 C ATOM 2633 CD2 LEU B 77 -8.618 -4.765 -2.495 1.00 0.00 C ATOM 0 H LEU B 77 -4.137 -3.023 -2.953 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.244 -1.832 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.174 -4.200 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.204 -3.671 -1.947 1.00 0.00 H new ATOM 0 HG LEU B 77 -8.440 -2.612 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -9.714 -3.145 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -8.266 -2.175 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -8.270 -3.924 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.708 -4.761 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -8.246 -5.555 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -8.275 -4.944 -1.476 1.00 0.00 H new ATOM 2645 N VAL B 78 -5.989 -0.964 -1.217 1.00 0.00 N ATOM 2646 CA VAL B 78 -6.364 0.090 -0.294 1.00 0.00 C ATOM 2647 C VAL B 78 -5.725 1.419 -0.695 1.00 0.00 C ATOM 2648 O VAL B 78 -6.369 2.475 -0.656 1.00 0.00 O ATOM 2649 CB VAL B 78 -6.036 -0.293 1.166 1.00 0.00 C ATOM 2650 CG1 VAL B 78 -6.728 -1.618 1.515 1.00 0.00 C ATOM 2651 CG2 VAL B 78 -4.527 -0.464 1.351 1.00 0.00 C ATOM 0 H VAL B 78 -5.351 -1.664 -0.838 1.00 0.00 H new ATOM 0 HA VAL B 78 -7.445 0.218 -0.350 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.390 0.504 1.820 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -6.497 -1.889 2.545 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.806 -1.506 1.402 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -6.373 -2.401 0.846 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -4.316 -0.734 2.386 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -4.166 -1.252 0.690 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -4.023 0.472 1.110 1.00 0.00 H new ATOM 2661 N ALA B 79 -4.457 1.367 -1.087 1.00 0.00 N ATOM 2662 CA ALA B 79 -3.730 2.576 -1.458 1.00 0.00 C ATOM 2663 C ALA B 79 -4.373 3.276 -2.632 1.00 0.00 C ATOM 2664 O ALA B 79 -4.546 4.499 -2.616 1.00 0.00 O ATOM 2665 CB ALA B 79 -2.277 2.264 -1.784 1.00 0.00 C ATOM 0 H ALA B 79 -3.914 0.507 -1.156 1.00 0.00 H new ATOM 0 HA ALA B 79 -3.766 3.243 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA B 79 -1.760 3.184 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -1.795 1.822 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -2.234 1.562 -2.617 1.00 0.00 H new ATOM 2671 N ALA B 80 -4.721 2.513 -3.653 1.00 0.00 N ATOM 2672 CA ALA B 80 -5.332 3.100 -4.823 1.00 0.00 C ATOM 2673 C ALA B 80 -6.656 3.753 -4.440 1.00 0.00 C ATOM 2674 O ALA B 80 -6.924 4.897 -4.800 1.00 0.00 O ATOM 2675 CB ALA B 80 -5.522 2.054 -5.920 1.00 0.00 C ATOM 0 H ALA B 80 -4.592 1.502 -3.693 1.00 0.00 H new ATOM 0 HA ALA B 80 -4.671 3.870 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.984 2.520 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -4.553 1.641 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.165 1.254 -5.553 1.00 0.00 H new ATOM 2681 N LEU B 81 -7.399 3.095 -3.564 1.00 0.00 N ATOM 2682 CA LEU B 81 -8.598 3.702 -3.001 1.00 0.00 C ATOM 2683 C LEU B 81 -8.211 4.936 -2.193 1.00 0.00 C ATOM 2684 O LEU B 81 -8.875 5.979 -2.257 1.00 0.00 O ATOM 2685 CB LEU B 81 -9.338 2.705 -2.096 1.00 0.00 C ATOM 2686 CG LEU B 81 -9.921 1.567 -2.944 1.00 0.00 C ATOM 2687 CD1 LEU B 81 -10.493 0.485 -2.028 1.00 0.00 C ATOM 2688 CD2 LEU B 81 -11.031 2.101 -3.857 1.00 0.00 C ATOM 0 H LEU B 81 -7.198 2.152 -3.230 1.00 0.00 H new ATOM 0 HA LEU B 81 -9.261 3.988 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.654 2.301 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -10.136 3.214 -1.555 1.00 0.00 H new ATOM 0 HG LEU B 81 -9.127 1.144 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -10.907 -0.322 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -9.701 0.092 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -11.280 0.913 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -11.436 1.284 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -11.825 2.535 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.622 2.865 -4.519 1.00 0.00 H new ATOM 2700 N THR B 82 -7.124 4.812 -1.438 1.00 0.00 N ATOM 2701 CA THR B 82 -6.646 5.906 -0.617 1.00 0.00 C ATOM 2702 C THR B 82 -6.262 7.102 -1.494 1.00 0.00 C ATOM 2703 O THR B 82 -6.739 8.224 -1.281 1.00 0.00 O ATOM 2704 CB THR B 82 -5.431 5.450 0.215 1.00 0.00 C ATOM 2705 OG1 THR B 82 -5.724 4.214 0.862 1.00 0.00 O ATOM 2706 CG2 THR B 82 -5.095 6.501 1.279 1.00 0.00 C ATOM 0 H THR B 82 -6.561 3.963 -1.381 1.00 0.00 H new ATOM 0 HA THR B 82 -7.445 6.211 0.059 1.00 0.00 H new ATOM 0 HB THR B 82 -4.580 5.324 -0.454 1.00 0.00 H new ATOM 0 HG1 THR B 82 -5.904 3.526 0.187 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.235 6.168 1.861 1.00 0.00 H new ATOM 0 HG22 THR B 82 -4.860 7.448 0.793 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.951 6.635 1.941 1.00 0.00 H new ATOM 2714 N VAL B 83 -5.454 6.850 -2.523 1.00 0.00 N ATOM 2715 CA VAL B 83 -5.044 7.912 -3.433 1.00 0.00 C ATOM 2716 C VAL B 83 -6.256 8.475 -4.165 1.00 0.00 C ATOM 2717 O VAL B 83 -6.406 9.697 -4.293 1.00 0.00 O ATOM 2718 CB VAL B 83 -3.938 7.418 -4.413 1.00 0.00 C ATOM 2719 CG1 VAL B 83 -4.542 6.732 -5.632 1.00 0.00 C ATOM 2720 CG2 VAL B 83 -3.068 8.588 -4.882 1.00 0.00 C ATOM 0 H VAL B 83 -5.075 5.929 -2.744 1.00 0.00 H new ATOM 0 HA VAL B 83 -4.604 8.722 -2.852 1.00 0.00 H new ATOM 0 HB VAL B 83 -3.325 6.699 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL B 83 -3.744 6.399 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL B 83 -5.129 5.872 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL B 83 -5.186 7.434 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL B 83 -2.302 8.221 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL B 83 -3.690 9.322 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL B 83 -2.591 9.055 -4.020 1.00 0.00 H new ATOM 2730 N ALA B 84 -7.155 7.586 -4.580 1.00 0.00 N ATOM 2731 CA ALA B 84 -8.373 8.008 -5.255 1.00 0.00 C ATOM 2732 C ALA B 84 -9.150 8.983 -4.383 1.00 0.00 C ATOM 2733 O ALA B 84 -9.482 10.094 -4.817 1.00 0.00 O ATOM 2734 CB ALA B 84 -9.251 6.796 -5.586 1.00 0.00 C ATOM 0 H ALA B 84 -7.062 6.577 -4.461 1.00 0.00 H new ATOM 0 HA ALA B 84 -8.094 8.506 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA B 84 -10.158 7.130 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA B 84 -8.702 6.117 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA B 84 -9.518 6.278 -4.665 1.00 0.00 H new ATOM 2740 N MET B 85 -9.383 8.605 -3.130 1.00 0.00 N ATOM 2741 CA MET B 85 -10.074 9.503 -2.214 1.00 0.00 C ATOM 2742 C MET B 85 -9.209 10.711 -1.946 1.00 0.00 C ATOM 2743 O MET B 85 -9.700 11.830 -1.835 1.00 0.00 O ATOM 2744 CB MET B 85 -10.410 8.820 -0.886 1.00 0.00 C ATOM 2745 CG MET B 85 -11.284 9.765 -0.042 1.00 0.00 C ATOM 2746 SD MET B 85 -11.638 9.014 1.568 1.00 0.00 S ATOM 2747 CE MET B 85 -10.276 9.772 2.491 1.00 0.00 C ATOM 0 H MET B 85 -9.111 7.705 -2.733 1.00 0.00 H new ATOM 0 HA MET B 85 -11.011 9.800 -2.685 1.00 0.00 H new ATOM 0 HB2 MET B 85 -10.936 7.883 -1.067 1.00 0.00 H new ATOM 0 HB3 MET B 85 -9.495 8.573 -0.348 1.00 0.00 H new ATOM 0 HG2 MET B 85 -10.773 10.718 0.097 1.00 0.00 H new ATOM 0 HG3 MET B 85 -12.216 9.976 -0.566 1.00 0.00 H new ATOM 0 HE1 MET B 85 -10.000 9.129 3.327 1.00 0.00 H new ATOM 0 HE2 MET B 85 -9.417 9.900 1.833 1.00 0.00 H new ATOM 0 HE3 MET B 85 -10.590 10.745 2.870 1.00 0.00 H new ATOM 2757 N ASN B 86 -7.915 10.480 -1.797 1.00 0.00 N ATOM 2758 CA ASN B 86 -7.011 11.566 -1.490 1.00 0.00 C ATOM 2759 C ASN B 86 -7.022 12.589 -2.617 1.00 0.00 C ATOM 2760 O ASN B 86 -7.118 13.787 -2.373 1.00 0.00 O ATOM 2761 CB ASN B 86 -5.599 11.058 -1.228 1.00 0.00 C ATOM 2762 CG ASN B 86 -4.896 12.005 -0.273 1.00 0.00 C ATOM 2763 OD1 ASN B 86 -3.961 12.703 -0.660 1.00 0.00 O ATOM 2764 ND2 ASN B 86 -5.293 12.086 0.957 1.00 0.00 N ATOM 0 H ASN B 86 -7.476 9.563 -1.883 1.00 0.00 H new ATOM 0 HA ASN B 86 -7.356 12.049 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN B 86 -5.634 10.055 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN B 86 -5.045 10.989 -2.164 1.00 0.00 H new ATOM 0 HD21 ASN B 86 -4.830 12.727 1.601 1.00 0.00 H new ATOM 0 HD22 ASN B 86 -6.068 11.508 1.282 1.00 0.00 H new ATOM 2771 N ASN B 87 -7.065 12.099 -3.853 1.00 0.00 N ATOM 2772 CA ASN B 87 -7.199 12.974 -5.027 1.00 0.00 C ATOM 2773 C ASN B 87 -8.492 13.767 -4.921 1.00 0.00 C ATOM 2774 O ASN B 87 -8.499 14.993 -5.057 1.00 0.00 O ATOM 2775 CB ASN B 87 -7.211 12.117 -6.307 1.00 0.00 C ATOM 2776 CG ASN B 87 -7.601 12.944 -7.532 1.00 0.00 C ATOM 2777 OD1 ASN B 87 -7.044 14.091 -7.745 1.00 0.00 O flip ATOM 2778 ND2 ASN B 87 -8.456 12.519 -8.320 1.00 0.00 N flip ATOM 0 H ASN B 87 -7.010 11.105 -4.073 1.00 0.00 H new ATOM 0 HA ASN B 87 -6.357 13.665 -5.068 1.00 0.00 H new ATOM 0 HB2 ASN B 87 -6.225 11.679 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN B 87 -7.912 11.291 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN B 87 -8.897 11.614 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN B 87 -8.719 13.073 -9.135 1.00 0.00 H new ATOM 2785 N PHE B 88 -9.545 13.076 -4.511 1.00 0.00 N ATOM 2786 CA PHE B 88 -10.819 13.709 -4.191 1.00 0.00 C ATOM 2787 C PHE B 88 -10.652 14.719 -3.061 1.00 0.00 C ATOM 2788 O PHE B 88 -11.298 15.761 -3.042 1.00 0.00 O ATOM 2789 CB PHE B 88 -11.873 12.647 -3.814 1.00 0.00 C ATOM 2790 CG PHE B 88 -12.937 13.278 -2.947 1.00 0.00 C ATOM 2791 CD1 PHE B 88 -13.858 14.163 -3.504 1.00 0.00 C ATOM 2792 CD2 PHE B 88 -12.987 12.985 -1.580 1.00 0.00 C ATOM 2793 CE1 PHE B 88 -14.832 14.758 -2.701 1.00 0.00 C ATOM 2794 CE2 PHE B 88 -13.962 13.577 -0.776 1.00 0.00 C ATOM 2795 CZ PHE B 88 -14.886 14.465 -1.336 1.00 0.00 C ATOM 0 H PHE B 88 -9.542 12.063 -4.390 1.00 0.00 H new ATOM 0 HA PHE B 88 -11.166 14.241 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -12.323 12.230 -4.715 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.399 11.821 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -13.818 14.389 -4.559 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -12.272 12.301 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -15.544 15.445 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -14.003 13.349 0.279 1.00 0.00 H new ATOM 0 HZ PHE B 88 -15.640 14.924 -0.714 1.00 0.00 H new ATOM 2805 N PHE B 89 -9.923 14.311 -2.049 1.00 0.00 N ATOM 2806 CA PHE B 89 -9.825 15.045 -0.803 1.00 0.00 C ATOM 2807 C PHE B 89 -9.404 16.485 -1.048 1.00 0.00 C ATOM 2808 O PHE B 89 -9.907 17.408 -0.399 1.00 0.00 O ATOM 2809 CB PHE B 89 -8.731 14.384 0.038 1.00 0.00 C ATOM 2810 CG PHE B 89 -8.994 14.574 1.496 1.00 0.00 C ATOM 2811 CD1 PHE B 89 -8.693 15.780 2.132 1.00 0.00 C ATOM 2812 CD2 PHE B 89 -9.541 13.519 2.213 1.00 0.00 C ATOM 2813 CE1 PHE B 89 -8.949 15.924 3.498 1.00 0.00 C ATOM 2814 CE2 PHE B 89 -9.797 13.655 3.569 1.00 0.00 C ATOM 2815 CZ PHE B 89 -9.504 14.859 4.221 1.00 0.00 C ATOM 0 H PHE B 89 -9.374 13.451 -2.065 1.00 0.00 H new ATOM 0 HA PHE B 89 -10.796 15.036 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE B 89 -8.683 13.320 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE B 89 -7.761 14.810 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE B 89 -8.265 16.597 1.571 1.00 0.00 H new ATOM 0 HD2 PHE B 89 -9.768 12.589 1.713 1.00 0.00 H new ATOM 0 HE1 PHE B 89 -8.720 16.854 3.996 1.00 0.00 H new ATOM 0 HE2 PHE B 89 -10.223 12.831 4.123 1.00 0.00 H new ATOM 0 HZ PHE B 89 -9.705 14.967 5.277 1.00 0.00 H new