USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 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 12 SER OG : rot 180:sc= -1.54 USER MOD Set 1.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= -0.135 (180deg=-0.952) USER MOD Single : A 7 ASN : amide:sc= -0.891 K(o=-0.89,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 24 GLN : amide:sc= -0.782 K(o=-0.78,f=-2.5!) USER MOD Single : A 25 GLN :FLIP amide:sc= -4! C(o=-5.3!,f=-4!) USER MOD Single : A 28 ASN : amide:sc= 0.244 K(o=0.24,f=-2.4!) USER MOD Single : A 33 SER OG : rot 180:sc=0.000847 USER MOD Single : A 37 MET CE :methyl -108:sc= -0.6 (180deg=-1.62!) USER MOD Single : A 39 THR OG1 : rot -57:sc= 0.0861 USER MOD Single : A 45 MET CE :methyl -171:sc=-0.00141 (180deg=-0.201) USER MOD Single : A 46 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.5) USER MOD Single : A 48 TYR OH : rot 46:sc= -1.21 USER MOD Single : A 50 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.82) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 98:sc= -1.1! USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.338 K(o=-0.34,f=-3!) USER MOD Single : A 72 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 75 ASN : amide:sc= 0.201 X(o=0.2,f=-0.055) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.6!) USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= -1.26 (180deg=-3.94!) USER MOD Single : A 85 TYR OH : rot -129:sc= -1.24 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -84:sc= 0.924 USER MOD Single : A 92 HIS : no HE2:sc= -4.16! C(o=-4.2!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 11.518 28.833 0.189 1.00 0.00 N ATOM 2 CA LEU A 3 11.128 28.904 1.622 1.00 0.00 C ATOM 3 C LEU A 3 10.002 27.924 1.935 1.00 0.00 C ATOM 4 O LEU A 3 9.904 27.415 3.051 1.00 0.00 O ATOM 5 CB LEU A 3 10.689 30.336 1.938 1.00 0.00 C ATOM 6 CG LEU A 3 11.771 31.223 2.557 1.00 0.00 C ATOM 7 CD1 LEU A 3 11.608 32.664 2.101 1.00 0.00 C ATOM 8 CD2 LEU A 3 11.730 31.137 4.075 1.00 0.00 C ATOM 0 HA LEU A 3 11.982 28.629 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.339 30.804 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.839 30.297 2.619 1.00 0.00 H new ATOM 0 HG LEU A 3 12.743 30.863 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.387 33.279 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.690 32.714 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.630 33.034 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.507 31.775 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.755 31.469 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.899 30.106 4.386 1.00 0.00 H new ATOM 22 N LEU A 4 9.153 27.664 0.944 1.00 0.00 N ATOM 23 CA LEU A 4 8.038 26.745 1.119 1.00 0.00 C ATOM 24 C LEU A 4 8.461 25.300 0.871 1.00 0.00 C ATOM 25 O LEU A 4 7.623 24.398 0.857 1.00 0.00 O ATOM 26 CB LEU A 4 6.885 27.119 0.189 1.00 0.00 C ATOM 27 CG LEU A 4 6.060 28.324 0.645 1.00 0.00 C ATOM 28 CD1 LEU A 4 6.462 29.569 -0.128 1.00 0.00 C ATOM 29 CD2 LEU A 4 4.573 28.047 0.485 1.00 0.00 C ATOM 0 H LEU A 4 9.218 28.077 0.014 1.00 0.00 H new ATOM 0 HA LEU A 4 7.703 26.827 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.288 27.326 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.223 26.259 0.090 1.00 0.00 H new ATOM 0 HG LEU A 4 6.261 28.498 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.865 30.416 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.518 29.778 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.292 29.407 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.003 28.916 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.351 27.844 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.297 27.182 1.088 1.00 0.00 H new ATOM 41 N LYS A 5 9.764 25.075 0.697 1.00 0.00 N ATOM 42 CA LYS A 5 10.276 23.725 0.477 1.00 0.00 C ATOM 43 C LYS A 5 9.762 22.791 1.568 1.00 0.00 C ATOM 44 O LYS A 5 9.601 21.591 1.358 1.00 0.00 O ATOM 45 CB LYS A 5 11.805 23.730 0.458 1.00 0.00 C ATOM 46 CG LYS A 5 12.396 22.811 -0.600 1.00 0.00 C ATOM 47 CD LYS A 5 13.577 23.457 -1.304 1.00 0.00 C ATOM 48 CE LYS A 5 14.767 23.605 -0.370 1.00 0.00 C ATOM 49 NZ LYS A 5 14.762 24.916 0.335 1.00 0.00 N ATOM 0 H LYS A 5 10.477 25.804 0.704 1.00 0.00 H new ATOM 0 HA LYS A 5 9.922 23.368 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.156 24.747 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.175 23.429 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.714 21.878 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.629 22.557 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.862 22.854 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.285 24.437 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.755 22.799 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.690 23.503 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.740 25.206 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.304 25.631 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.238 24.828 1.229 1.00 0.00 H new ATOM 63 N ALA A 6 9.491 23.375 2.731 1.00 0.00 N ATOM 64 CA ALA A 6 8.971 22.624 3.864 1.00 0.00 C ATOM 65 C ALA A 6 7.704 21.883 3.454 1.00 0.00 C ATOM 66 O ALA A 6 7.525 20.703 3.763 1.00 0.00 O ATOM 67 CB ALA A 6 8.702 23.552 5.040 1.00 0.00 C ATOM 0 H ALA A 6 9.624 24.370 2.912 1.00 0.00 H new ATOM 0 HA ALA A 6 9.715 21.893 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.314 22.974 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.629 24.042 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.970 24.305 4.749 1.00 0.00 H new ATOM 73 N ASN A 7 6.835 22.587 2.736 1.00 0.00 N ATOM 74 CA ASN A 7 5.589 22.008 2.256 1.00 0.00 C ATOM 75 C ASN A 7 5.876 20.846 1.312 1.00 0.00 C ATOM 76 O ASN A 7 5.407 19.726 1.523 1.00 0.00 O ATOM 77 CB ASN A 7 4.760 23.068 1.529 1.00 0.00 C ATOM 78 CG ASN A 7 3.634 23.616 2.383 1.00 0.00 C ATOM 79 OD1 ASN A 7 3.086 22.915 3.235 1.00 0.00 O ATOM 80 ND2 ASN A 7 3.283 24.875 2.156 1.00 0.00 N ATOM 0 H ASN A 7 6.973 23.563 2.474 1.00 0.00 H new ATOM 0 HA ASN A 7 5.026 21.640 3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.411 23.887 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.344 22.637 0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.531 25.300 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.765 25.418 1.440 1.00 0.00 H new ATOM 87 N LYS A 8 6.652 21.125 0.267 1.00 0.00 N ATOM 88 CA LYS A 8 7.006 20.111 -0.716 1.00 0.00 C ATOM 89 C LYS A 8 7.708 18.931 -0.056 1.00 0.00 C ATOM 90 O LYS A 8 7.574 17.791 -0.502 1.00 0.00 O ATOM 91 CB LYS A 8 7.897 20.714 -1.805 1.00 0.00 C ATOM 92 CG LYS A 8 7.274 20.661 -3.190 1.00 0.00 C ATOM 93 CD LYS A 8 8.252 21.114 -4.265 1.00 0.00 C ATOM 94 CE LYS A 8 8.577 19.989 -5.235 1.00 0.00 C ATOM 95 NZ LYS A 8 8.746 20.488 -6.628 1.00 0.00 N ATOM 0 H LYS A 8 7.047 22.047 0.081 1.00 0.00 H new ATOM 0 HA LYS A 8 6.086 19.748 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.116 21.751 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.848 20.182 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.945 19.644 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.387 21.294 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.828 21.956 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.170 21.468 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.490 19.487 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.780 19.246 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.967 19.691 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.866 20.945 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.524 21.178 -6.658 1.00 0.00 H new ATOM 109 N ASP A 9 8.451 19.202 1.014 1.00 0.00 N ATOM 110 CA ASP A 9 9.157 18.147 1.726 1.00 0.00 C ATOM 111 C ASP A 9 8.159 17.205 2.382 1.00 0.00 C ATOM 112 O ASP A 9 8.304 15.985 2.312 1.00 0.00 O ATOM 113 CB ASP A 9 10.103 18.738 2.773 1.00 0.00 C ATOM 114 CG ASP A 9 11.548 18.352 2.526 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.875 17.155 2.662 1.00 0.00 O ATOM 116 OD2 ASP A 9 12.354 19.247 2.194 1.00 0.00 O ATOM 0 H ASP A 9 8.578 20.136 1.403 1.00 0.00 H new ATOM 0 HA ASP A 9 9.755 17.584 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.014 19.824 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.803 18.398 3.764 1.00 0.00 H new ATOM 121 N LEU A 10 7.133 17.779 3.003 1.00 0.00 N ATOM 122 CA LEU A 10 6.104 16.978 3.649 1.00 0.00 C ATOM 123 C LEU A 10 5.426 16.083 2.621 1.00 0.00 C ATOM 124 O LEU A 10 5.244 14.881 2.845 1.00 0.00 O ATOM 125 CB LEU A 10 5.068 17.876 4.331 1.00 0.00 C ATOM 126 CG LEU A 10 3.844 17.146 4.896 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.874 17.148 6.416 1.00 0.00 C ATOM 128 CD2 LEU A 10 2.560 17.784 4.384 1.00 0.00 C ATOM 0 H LEU A 10 6.994 18.787 3.071 1.00 0.00 H new ATOM 0 HA LEU A 10 6.574 16.357 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.556 18.416 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.727 18.621 3.612 1.00 0.00 H new ATOM 0 HG LEU A 10 3.873 16.111 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.997 16.625 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.776 16.644 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.870 18.176 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.701 17.253 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.524 18.828 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.535 17.728 3.296 1.00 0.00 H new ATOM 140 N ILE A 11 5.070 16.666 1.477 1.00 0.00 N ATOM 141 CA ILE A 11 4.431 15.900 0.420 1.00 0.00 C ATOM 142 C ILE A 11 5.361 14.786 -0.039 1.00 0.00 C ATOM 143 O ILE A 11 4.982 13.616 -0.043 1.00 0.00 O ATOM 144 CB ILE A 11 4.064 16.789 -0.785 1.00 0.00 C ATOM 145 CG1 ILE A 11 3.223 17.985 -0.328 1.00 0.00 C ATOM 146 CG2 ILE A 11 3.313 15.981 -1.833 1.00 0.00 C ATOM 147 CD1 ILE A 11 3.406 19.216 -1.190 1.00 0.00 C ATOM 0 H ILE A 11 5.213 17.653 1.264 1.00 0.00 H new ATOM 0 HA ILE A 11 3.510 15.479 0.823 1.00 0.00 H new ATOM 0 HB ILE A 11 4.985 17.163 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.170 17.702 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.483 18.230 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.062 16.624 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.941 15.159 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.398 15.580 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.781 20.023 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.451 19.524 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.118 18.988 -2.216 1.00 0.00 H new ATOM 159 N SER A 12 6.587 15.151 -0.420 1.00 0.00 N ATOM 160 CA SER A 12 7.563 14.168 -0.869 1.00 0.00 C ATOM 161 C SER A 12 7.732 13.072 0.174 1.00 0.00 C ATOM 162 O SER A 12 7.874 11.901 -0.160 1.00 0.00 O ATOM 163 CB SER A 12 8.911 14.840 -1.145 1.00 0.00 C ATOM 164 OG SER A 12 9.446 14.421 -2.388 1.00 0.00 O ATOM 0 H SER A 12 6.922 16.114 -0.425 1.00 0.00 H new ATOM 0 HA SER A 12 7.198 13.720 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.787 15.923 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.611 14.600 -0.345 1.00 0.00 H new ATOM 0 HG SER A 12 10.306 14.866 -2.541 1.00 0.00 H new ATOM 170 N ALA A 13 7.712 13.467 1.443 1.00 0.00 N ATOM 171 CA ALA A 13 7.866 12.511 2.532 1.00 0.00 C ATOM 172 C ALA A 13 6.776 11.457 2.455 1.00 0.00 C ATOM 173 O ALA A 13 7.050 10.264 2.565 1.00 0.00 O ATOM 174 CB ALA A 13 7.843 13.218 3.878 1.00 0.00 C ATOM 0 H ALA A 13 7.592 14.435 1.741 1.00 0.00 H new ATOM 0 HA ALA A 13 8.833 12.019 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.960 12.485 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.660 13.938 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.893 13.739 3.999 1.00 0.00 H new ATOM 180 N GLY A 14 5.554 11.899 2.201 1.00 0.00 N ATOM 181 CA GLY A 14 4.456 10.962 2.040 1.00 0.00 C ATOM 182 C GLY A 14 4.658 10.134 0.786 1.00 0.00 C ATOM 183 O GLY A 14 4.211 8.990 0.690 1.00 0.00 O ATOM 0 H GLY A 14 5.301 12.882 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.394 10.309 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.512 11.503 1.980 1.00 0.00 H new ATOM 187 N LEU A 15 5.356 10.741 -0.168 1.00 0.00 N ATOM 188 CA LEU A 15 5.658 10.092 -1.435 1.00 0.00 C ATOM 189 C LEU A 15 6.636 8.947 -1.230 1.00 0.00 C ATOM 190 O LEU A 15 6.316 7.798 -1.509 1.00 0.00 O ATOM 191 CB LEU A 15 6.207 11.099 -2.440 1.00 0.00 C ATOM 192 CG LEU A 15 5.227 11.517 -3.541 1.00 0.00 C ATOM 193 CD1 LEU A 15 5.109 13.033 -3.605 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.666 10.958 -4.886 1.00 0.00 C ATOM 0 H LEU A 15 5.725 11.688 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 15 4.732 9.682 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.525 11.991 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.096 10.675 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 15 4.246 11.107 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.409 13.310 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.747 13.411 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.086 13.465 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.958 11.265 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.657 11.338 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.697 9.870 -4.835 1.00 0.00 H new ATOM 206 N LYS A 16 7.828 9.261 -0.740 1.00 0.00 N ATOM 207 CA LYS A 16 8.839 8.234 -0.502 1.00 0.00 C ATOM 208 C LYS A 16 8.291 7.168 0.431 1.00 0.00 C ATOM 209 O LYS A 16 8.596 5.983 0.293 1.00 0.00 O ATOM 210 CB LYS A 16 10.114 8.835 0.100 1.00 0.00 C ATOM 211 CG LYS A 16 10.432 10.240 -0.381 1.00 0.00 C ATOM 212 CD LYS A 16 10.389 10.341 -1.899 1.00 0.00 C ATOM 213 CE LYS A 16 10.405 11.789 -2.361 1.00 0.00 C ATOM 214 NZ LYS A 16 11.772 12.235 -2.747 1.00 0.00 N ATOM 0 H LYS A 16 8.119 10.209 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 16 9.091 7.786 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.017 8.849 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.955 8.184 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.718 10.942 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.420 10.531 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.242 9.813 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.491 9.849 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.732 11.906 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.026 12.428 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.739 13.228 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.409 12.148 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.124 11.642 -3.525 1.00 0.00 H new ATOM 228 N GLU A 17 7.471 7.599 1.379 1.00 0.00 N ATOM 229 CA GLU A 17 6.870 6.680 2.334 1.00 0.00 C ATOM 230 C GLU A 17 6.027 5.634 1.616 1.00 0.00 C ATOM 231 O GLU A 17 6.173 4.435 1.854 1.00 0.00 O ATOM 232 CB GLU A 17 6.010 7.437 3.350 1.00 0.00 C ATOM 233 CG GLU A 17 6.440 7.218 4.792 1.00 0.00 C ATOM 234 CD GLU A 17 5.554 7.948 5.782 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.581 9.197 5.794 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.834 7.272 6.545 1.00 0.00 O ATOM 0 H GLU A 17 7.207 8.576 1.507 1.00 0.00 H new ATOM 0 HA GLU A 17 7.676 6.176 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.050 8.503 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.971 7.126 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.424 6.151 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.470 7.554 4.915 1.00 0.00 H new ATOM 243 N PHE A 18 5.140 6.095 0.741 1.00 0.00 N ATOM 244 CA PHE A 18 4.270 5.189 0.002 1.00 0.00 C ATOM 245 C PHE A 18 5.036 4.442 -1.085 1.00 0.00 C ATOM 246 O PHE A 18 4.876 3.236 -1.241 1.00 0.00 O ATOM 247 CB PHE A 18 3.090 5.956 -0.607 1.00 0.00 C ATOM 248 CG PHE A 18 1.789 5.193 -0.592 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.469 4.340 0.457 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.883 5.332 -1.631 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.275 3.643 0.465 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.312 4.638 -1.627 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.617 3.794 -0.578 1.00 0.00 C ATOM 0 H PHE A 18 5.005 7.083 0.527 1.00 0.00 H new ATOM 0 HA PHE A 18 3.885 4.451 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.957 6.891 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.333 6.219 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.162 4.220 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.114 5.991 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.040 2.981 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.008 4.756 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.552 3.253 -0.573 1.00 0.00 H new ATOM 263 N SER A 19 5.870 5.154 -1.834 1.00 0.00 N ATOM 264 CA SER A 19 6.649 4.534 -2.899 1.00 0.00 C ATOM 265 C SER A 19 7.560 3.447 -2.340 1.00 0.00 C ATOM 266 O SER A 19 7.558 2.312 -2.819 1.00 0.00 O ATOM 267 CB SER A 19 7.480 5.589 -3.633 1.00 0.00 C ATOM 268 OG SER A 19 7.383 5.428 -5.037 1.00 0.00 O ATOM 0 H SER A 19 6.024 6.156 -1.724 1.00 0.00 H new ATOM 0 HA SER A 19 5.956 4.075 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.137 6.585 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.523 5.513 -3.326 1.00 0.00 H new ATOM 0 HG SER A 19 7.921 6.115 -5.483 1.00 0.00 H new ATOM 274 N VAL A 20 8.333 3.798 -1.317 1.00 0.00 N ATOM 275 CA VAL A 20 9.241 2.848 -0.690 1.00 0.00 C ATOM 276 C VAL A 20 8.462 1.748 0.021 1.00 0.00 C ATOM 277 O VAL A 20 8.900 0.601 0.072 1.00 0.00 O ATOM 278 CB VAL A 20 10.177 3.542 0.321 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.167 2.546 0.911 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.909 4.702 -0.338 1.00 0.00 C ATOM 0 H VAL A 20 8.348 4.732 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 20 9.847 2.411 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 20 9.569 3.938 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.817 3.057 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.623 1.752 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.770 2.115 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.565 5.179 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.504 4.330 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.184 5.429 -0.705 1.00 0.00 H new ATOM 290 N LEU A 21 7.302 2.102 0.565 1.00 0.00 N ATOM 291 CA LEU A 21 6.465 1.138 1.267 1.00 0.00 C ATOM 292 C LEU A 21 5.884 0.114 0.296 1.00 0.00 C ATOM 293 O LEU A 21 5.901 -1.084 0.565 1.00 0.00 O ATOM 294 CB LEU A 21 5.339 1.862 2.008 1.00 0.00 C ATOM 295 CG LEU A 21 4.242 0.961 2.589 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.449 0.761 4.081 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.866 1.554 2.318 1.00 0.00 C ATOM 0 H LEU A 21 6.922 3.048 0.533 1.00 0.00 H new ATOM 0 HA LEU A 21 7.084 0.608 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.777 2.441 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.876 2.573 1.323 1.00 0.00 H new ATOM 0 HG LEU A 21 4.302 -0.011 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.661 0.119 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.418 0.294 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.416 1.727 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.100 0.902 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.797 2.539 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.715 1.647 1.242 1.00 0.00 H new ATOM 309 N LEU A 22 5.371 0.591 -0.832 1.00 0.00 N ATOM 310 CA LEU A 22 4.785 -0.291 -1.835 1.00 0.00 C ATOM 311 C LEU A 22 5.835 -1.241 -2.401 1.00 0.00 C ATOM 312 O LEU A 22 5.574 -2.429 -2.591 1.00 0.00 O ATOM 313 CB LEU A 22 4.158 0.525 -2.968 1.00 0.00 C ATOM 314 CG LEU A 22 3.125 1.565 -2.525 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.243 2.829 -3.359 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.720 1.000 -2.627 1.00 0.00 C ATOM 0 H LEU A 22 5.349 1.581 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 22 4.006 -0.880 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.954 1.035 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.682 -0.161 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 22 3.324 1.817 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.500 3.554 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.241 3.251 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.073 2.589 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.001 1.754 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.516 0.717 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.634 0.122 -1.987 1.00 0.00 H new ATOM 328 N ASN A 23 7.019 -0.708 -2.677 1.00 0.00 N ATOM 329 CA ASN A 23 8.108 -1.506 -3.229 1.00 0.00 C ATOM 330 C ASN A 23 8.868 -2.263 -2.138 1.00 0.00 C ATOM 331 O ASN A 23 9.520 -3.270 -2.415 1.00 0.00 O ATOM 332 CB ASN A 23 9.072 -0.612 -4.009 1.00 0.00 C ATOM 333 CG ASN A 23 8.492 -0.155 -5.332 1.00 0.00 C ATOM 334 OD1 ASN A 23 8.040 -0.968 -6.139 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.502 1.152 -5.563 1.00 0.00 N ATOM 0 H ASN A 23 7.250 0.274 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 23 7.668 -2.243 -3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.324 0.260 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.000 -1.154 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.125 1.518 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.886 1.790 -4.866 1.00 0.00 H new ATOM 342 N GLN A 24 8.806 -1.763 -0.906 1.00 0.00 N ATOM 343 CA GLN A 24 9.517 -2.390 0.208 1.00 0.00 C ATOM 344 C GLN A 24 8.573 -2.894 1.297 1.00 0.00 C ATOM 345 O GLN A 24 8.987 -3.070 2.443 1.00 0.00 O ATOM 346 CB GLN A 24 10.530 -1.413 0.808 1.00 0.00 C ATOM 347 CG GLN A 24 11.821 -2.076 1.259 1.00 0.00 C ATOM 348 CD GLN A 24 11.959 -2.121 2.769 1.00 0.00 C ATOM 349 OE1 GLN A 24 12.054 -3.195 3.363 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.970 -0.952 3.398 1.00 0.00 N ATOM 0 H GLN A 24 8.274 -0.930 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 24 10.038 -3.258 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.764 -0.646 0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.074 -0.907 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.861 -3.091 0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.669 -1.536 0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.889 -0.086 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.060 -0.920 4.414 1.00 0.00 H new ATOM 359 N GLN A 25 7.309 -3.119 0.948 1.00 0.00 N ATOM 360 CA GLN A 25 6.320 -3.607 1.918 1.00 0.00 C ATOM 361 C GLN A 25 6.644 -5.037 2.371 1.00 0.00 C ATOM 362 O GLN A 25 5.747 -5.872 2.481 1.00 0.00 O ATOM 363 CB GLN A 25 4.906 -3.561 1.324 1.00 0.00 C ATOM 364 CG GLN A 25 4.814 -4.099 -0.094 1.00 0.00 C ATOM 365 CD GLN A 25 5.256 -5.544 -0.199 1.00 0.00 C ATOM 366 OE1 GLN A 25 4.454 -6.447 0.353 1.00 0.00 O flip ATOM 367 NE2 GLN A 25 6.305 -5.844 -0.767 1.00 0.00 N flip ATOM 0 H GLN A 25 6.942 -2.974 0.007 1.00 0.00 H new ATOM 0 HA GLN A 25 6.363 -2.950 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.235 -4.135 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.552 -2.530 1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.786 -4.011 -0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.430 -3.486 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.890 -5.115 -1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.590 -6.821 -0.828 1.00 0.00 H new ATOM 376 N VAL A 26 7.933 -5.298 2.621 1.00 0.00 N ATOM 377 CA VAL A 26 8.439 -6.606 3.057 1.00 0.00 C ATOM 378 C VAL A 26 7.336 -7.616 3.362 1.00 0.00 C ATOM 379 O VAL A 26 6.463 -7.374 4.196 1.00 0.00 O ATOM 380 CB VAL A 26 9.333 -6.460 4.302 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.046 -7.769 4.606 1.00 0.00 C ATOM 382 CG2 VAL A 26 10.337 -5.332 4.110 1.00 0.00 C ATOM 0 H VAL A 26 8.666 -4.595 2.525 1.00 0.00 H new ATOM 0 HA VAL A 26 9.015 -6.989 2.215 1.00 0.00 H new ATOM 0 HB VAL A 26 8.699 -6.212 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.673 -7.645 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.309 -8.550 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.668 -8.050 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.960 -5.244 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.966 -5.548 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.805 -4.395 3.946 1.00 0.00 H new ATOM 392 N PHE A 27 7.401 -8.764 2.694 1.00 0.00 N ATOM 393 CA PHE A 27 6.428 -9.825 2.899 1.00 0.00 C ATOM 394 C PHE A 27 6.766 -10.594 4.170 1.00 0.00 C ATOM 395 O PHE A 27 7.618 -11.483 4.171 1.00 0.00 O ATOM 396 CB PHE A 27 6.406 -10.757 1.685 1.00 0.00 C ATOM 397 CG PHE A 27 5.930 -10.084 0.423 1.00 0.00 C ATOM 398 CD1 PHE A 27 6.701 -9.110 -0.199 1.00 0.00 C ATOM 399 CD2 PHE A 27 4.711 -10.426 -0.141 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.261 -8.495 -1.356 1.00 0.00 C ATOM 401 CE2 PHE A 27 4.269 -9.812 -1.297 1.00 0.00 C ATOM 402 CZ PHE A 27 5.045 -8.846 -1.905 1.00 0.00 C ATOM 0 H PHE A 27 8.121 -8.981 2.005 1.00 0.00 H new ATOM 0 HA PHE A 27 5.435 -9.390 3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.409 -11.152 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.759 -11.608 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.654 -8.831 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.099 -11.182 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.869 -7.739 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.316 -10.088 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.701 -8.366 -2.809 1.00 0.00 H new ATOM 412 N ASN A 28 6.105 -10.216 5.256 1.00 0.00 N ATOM 413 CA ASN A 28 6.341 -10.833 6.555 1.00 0.00 C ATOM 414 C ASN A 28 5.520 -12.103 6.747 1.00 0.00 C ATOM 415 O ASN A 28 4.336 -12.150 6.419 1.00 0.00 O ATOM 416 CB ASN A 28 6.026 -9.839 7.674 1.00 0.00 C ATOM 417 CG ASN A 28 4.580 -9.382 7.652 1.00 0.00 C ATOM 418 OD1 ASN A 28 4.154 -8.674 6.739 1.00 0.00 O ATOM 419 ND2 ASN A 28 3.818 -9.783 8.662 1.00 0.00 N ATOM 0 H ASN A 28 5.398 -9.481 5.263 1.00 0.00 H new ATOM 0 HA ASN A 28 7.394 -11.112 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.244 -10.300 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.680 -8.972 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.837 -9.505 8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.213 -10.369 9.397 1.00 0.00 H new ATOM 426 N ASP A 29 6.170 -13.128 7.296 1.00 0.00 N ATOM 427 CA ASP A 29 5.523 -14.411 7.561 1.00 0.00 C ATOM 428 C ASP A 29 5.123 -14.508 9.039 1.00 0.00 C ATOM 429 O ASP A 29 5.914 -14.158 9.915 1.00 0.00 O ATOM 430 CB ASP A 29 6.462 -15.565 7.202 1.00 0.00 C ATOM 431 CG ASP A 29 7.860 -15.371 7.754 1.00 0.00 C ATOM 432 OD1 ASP A 29 8.681 -14.717 7.076 1.00 0.00 O ATOM 433 OD2 ASP A 29 8.136 -15.873 8.863 1.00 0.00 O ATOM 0 H ASP A 29 7.153 -13.093 7.568 1.00 0.00 H new ATOM 0 HA ASP A 29 4.627 -14.480 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.049 -16.498 7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.514 -15.663 6.118 1.00 0.00 H new ATOM 438 N PRO A 30 3.894 -14.978 9.353 1.00 0.00 N ATOM 439 CA PRO A 30 2.897 -15.412 8.361 1.00 0.00 C ATOM 440 C PRO A 30 2.532 -14.309 7.376 1.00 0.00 C ATOM 441 O PRO A 30 2.614 -13.124 7.696 1.00 0.00 O ATOM 442 CB PRO A 30 1.676 -15.800 9.207 1.00 0.00 C ATOM 443 CG PRO A 30 1.900 -15.158 10.534 1.00 0.00 C ATOM 444 CD PRO A 30 3.387 -15.121 10.725 1.00 0.00 C ATOM 0 HA PRO A 30 3.277 -16.227 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.752 -15.447 8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.591 -16.882 9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.478 -14.153 10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.418 -15.726 11.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.692 -14.287 11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.756 -16.031 11.199 1.00 0.00 H new ATOM 452 N LEU A 31 2.135 -14.713 6.175 1.00 0.00 N ATOM 453 CA LEU A 31 1.765 -13.767 5.130 1.00 0.00 C ATOM 454 C LEU A 31 0.297 -13.370 5.233 1.00 0.00 C ATOM 455 O LEU A 31 -0.566 -14.197 5.527 1.00 0.00 O ATOM 456 CB LEU A 31 2.059 -14.361 3.752 1.00 0.00 C ATOM 457 CG LEU A 31 3.541 -14.392 3.371 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.875 -15.668 2.613 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.904 -13.168 2.545 1.00 0.00 C ATOM 0 H LEU A 31 2.061 -15.693 5.901 1.00 0.00 H new ATOM 0 HA LEU A 31 2.364 -12.866 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.668 -15.378 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.517 -13.787 3.001 1.00 0.00 H new ATOM 0 HG LEU A 31 4.131 -14.376 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.933 -15.670 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.655 -16.532 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.277 -15.718 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.961 -13.206 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.305 -13.153 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.706 -12.266 3.125 1.00 0.00 H new ATOM 471 N VAL A 32 0.026 -12.091 4.990 1.00 0.00 N ATOM 472 CA VAL A 32 -1.331 -11.565 5.056 1.00 0.00 C ATOM 473 C VAL A 32 -2.044 -11.705 3.710 1.00 0.00 C ATOM 474 O VAL A 32 -1.401 -11.764 2.663 1.00 0.00 O ATOM 475 CB VAL A 32 -1.326 -10.083 5.482 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.593 -9.229 4.457 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.743 -9.579 5.688 1.00 0.00 C ATOM 0 H VAL A 32 0.733 -11.398 4.745 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.870 -12.149 5.802 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.795 -10.004 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.602 -8.187 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.438 -9.572 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.089 -9.315 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.717 -8.531 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.302 -9.676 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.229 -10.167 6.466 1.00 0.00 H new ATOM 487 N SER A 33 -3.371 -11.790 3.747 1.00 0.00 N ATOM 488 CA SER A 33 -4.157 -11.961 2.528 1.00 0.00 C ATOM 489 C SER A 33 -4.341 -10.643 1.783 1.00 0.00 C ATOM 490 O SER A 33 -3.912 -9.585 2.246 1.00 0.00 O ATOM 491 CB SER A 33 -5.524 -12.562 2.860 1.00 0.00 C ATOM 492 OG SER A 33 -6.189 -11.802 3.853 1.00 0.00 O ATOM 0 H SER A 33 -3.923 -11.744 4.604 1.00 0.00 H new ATOM 0 HA SER A 33 -3.607 -12.641 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.135 -12.602 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.399 -13.588 3.206 1.00 0.00 H new ATOM 0 HG SER A 33 -7.061 -12.207 4.046 1.00 0.00 H new ATOM 498 N GLU A 34 -4.967 -10.726 0.613 1.00 0.00 N ATOM 499 CA GLU A 34 -5.199 -9.557 -0.228 1.00 0.00 C ATOM 500 C GLU A 34 -6.238 -8.620 0.377 1.00 0.00 C ATOM 501 O GLU A 34 -6.078 -7.401 0.343 1.00 0.00 O ATOM 502 CB GLU A 34 -5.645 -9.994 -1.624 1.00 0.00 C ATOM 503 CG GLU A 34 -6.892 -10.862 -1.619 1.00 0.00 C ATOM 504 CD GLU A 34 -7.360 -11.217 -3.017 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.507 -11.571 -3.856 1.00 0.00 O ATOM 506 OE2 GLU A 34 -8.580 -11.138 -3.271 1.00 0.00 O ATOM 0 H GLU A 34 -5.325 -11.598 0.224 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.258 -9.011 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.831 -9.108 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.833 -10.542 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.691 -11.778 -1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.692 -10.340 -1.094 1.00 0.00 H new ATOM 513 N GLU A 35 -7.298 -9.191 0.932 1.00 0.00 N ATOM 514 CA GLU A 35 -8.356 -8.395 1.546 1.00 0.00 C ATOM 515 C GLU A 35 -7.820 -7.636 2.754 1.00 0.00 C ATOM 516 O GLU A 35 -8.191 -6.486 3.002 1.00 0.00 O ATOM 517 CB GLU A 35 -9.520 -9.294 1.967 1.00 0.00 C ATOM 518 CG GLU A 35 -10.837 -8.552 2.131 1.00 0.00 C ATOM 519 CD GLU A 35 -11.888 -9.003 1.136 1.00 0.00 C ATOM 520 OE1 GLU A 35 -12.147 -10.223 1.058 1.00 0.00 O ATOM 521 OE2 GLU A 35 -12.452 -8.137 0.434 1.00 0.00 O ATOM 0 H GLU A 35 -7.450 -10.199 0.971 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.714 -7.674 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.647 -10.081 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.268 -9.782 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.212 -8.704 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.664 -7.482 2.012 1.00 0.00 H new ATOM 528 N ASP A 36 -6.917 -8.282 3.482 1.00 0.00 N ATOM 529 CA ASP A 36 -6.301 -7.668 4.648 1.00 0.00 C ATOM 530 C ASP A 36 -5.303 -6.611 4.201 1.00 0.00 C ATOM 531 O ASP A 36 -5.166 -5.559 4.829 1.00 0.00 O ATOM 532 CB ASP A 36 -5.614 -8.724 5.512 1.00 0.00 C ATOM 533 CG ASP A 36 -6.566 -9.370 6.499 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.817 -8.767 7.563 1.00 0.00 O ATOM 535 OD2 ASP A 36 -7.062 -10.479 6.207 1.00 0.00 O ATOM 0 H ASP A 36 -6.596 -9.230 3.284 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.076 -7.193 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.184 -9.492 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.788 -8.264 6.055 1.00 0.00 H new ATOM 540 N MET A 37 -4.627 -6.888 3.091 1.00 0.00 N ATOM 541 CA MET A 37 -3.661 -5.953 2.534 1.00 0.00 C ATOM 542 C MET A 37 -4.385 -4.709 2.039 1.00 0.00 C ATOM 543 O MET A 37 -3.944 -3.585 2.272 1.00 0.00 O ATOM 544 CB MET A 37 -2.886 -6.603 1.386 1.00 0.00 C ATOM 545 CG MET A 37 -1.606 -5.868 1.023 1.00 0.00 C ATOM 546 SD MET A 37 -0.142 -6.617 1.764 1.00 0.00 S ATOM 547 CE MET A 37 0.205 -5.451 3.080 1.00 0.00 C ATOM 0 H MET A 37 -4.732 -7.753 2.561 1.00 0.00 H new ATOM 0 HA MET A 37 -2.951 -5.672 3.312 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.641 -7.629 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.529 -6.652 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.494 -5.855 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.683 -4.830 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.095 -4.874 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.642 -4.776 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.373 -5.992 4.011 1.00 0.00 H new ATOM 557 N VAL A 38 -5.514 -4.923 1.368 1.00 0.00 N ATOM 558 CA VAL A 38 -6.317 -3.822 0.853 1.00 0.00 C ATOM 559 C VAL A 38 -6.764 -2.917 1.993 1.00 0.00 C ATOM 560 O VAL A 38 -6.667 -1.694 1.901 1.00 0.00 O ATOM 561 CB VAL A 38 -7.557 -4.329 0.090 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.347 -3.162 -0.488 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.149 -5.302 -1.008 1.00 0.00 C ATOM 0 H VAL A 38 -5.892 -5.849 1.169 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.692 -3.261 0.158 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.200 -4.859 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.218 -3.541 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.674 -2.508 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.715 -2.600 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.038 -5.649 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.483 -4.800 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.634 -6.155 -0.566 1.00 0.00 H new ATOM 573 N THR A 39 -7.244 -3.526 3.076 1.00 0.00 N ATOM 574 CA THR A 39 -7.688 -2.758 4.234 1.00 0.00 C ATOM 575 C THR A 39 -6.548 -1.894 4.758 1.00 0.00 C ATOM 576 O THR A 39 -6.725 -0.702 5.015 1.00 0.00 O ATOM 577 CB THR A 39 -8.196 -3.683 5.343 1.00 0.00 C ATOM 578 OG1 THR A 39 -8.182 -5.034 4.922 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.603 -3.356 5.793 1.00 0.00 C ATOM 0 H THR A 39 -7.334 -4.537 3.174 1.00 0.00 H new ATOM 0 HA THR A 39 -8.511 -2.115 3.921 1.00 0.00 H new ATOM 0 HB THR A 39 -7.516 -3.528 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.725 -5.130 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.903 -4.048 6.580 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.635 -2.336 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.286 -3.449 4.949 1.00 0.00 H new ATOM 587 N VAL A 40 -5.374 -2.500 4.903 1.00 0.00 N ATOM 588 CA VAL A 40 -4.201 -1.780 5.382 1.00 0.00 C ATOM 589 C VAL A 40 -3.883 -0.604 4.465 1.00 0.00 C ATOM 590 O VAL A 40 -3.589 0.498 4.929 1.00 0.00 O ATOM 591 CB VAL A 40 -2.970 -2.701 5.468 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.810 -1.980 6.136 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.310 -3.986 6.212 1.00 0.00 C ATOM 0 H VAL A 40 -5.210 -3.485 4.696 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.433 -1.413 6.382 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.668 -2.967 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.949 -2.646 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.549 -1.095 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.099 -1.681 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.426 -4.622 6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.641 -3.745 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.107 -4.511 5.685 1.00 0.00 H new ATOM 603 N VAL A 41 -3.956 -0.846 3.158 1.00 0.00 N ATOM 604 CA VAL A 41 -3.685 0.194 2.175 1.00 0.00 C ATOM 605 C VAL A 41 -4.639 1.368 2.360 1.00 0.00 C ATOM 606 O VAL A 41 -4.214 2.523 2.408 1.00 0.00 O ATOM 607 CB VAL A 41 -3.822 -0.340 0.735 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.380 0.712 -0.271 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.021 -1.623 0.562 1.00 0.00 C ATOM 0 H VAL A 41 -4.200 -1.752 2.758 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.658 0.525 2.332 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.872 -0.566 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.484 0.316 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.001 1.601 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.338 0.974 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.130 -1.985 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.969 -1.425 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.390 -2.379 1.256 1.00 0.00 H new ATOM 619 N GLU A 42 -5.930 1.065 2.467 1.00 0.00 N ATOM 620 CA GLU A 42 -6.940 2.099 2.652 1.00 0.00 C ATOM 621 C GLU A 42 -6.630 2.936 3.888 1.00 0.00 C ATOM 622 O GLU A 42 -6.750 4.161 3.866 1.00 0.00 O ATOM 623 CB GLU A 42 -8.331 1.474 2.768 1.00 0.00 C ATOM 624 CG GLU A 42 -9.349 2.093 1.826 1.00 0.00 C ATOM 625 CD GLU A 42 -10.773 1.934 2.322 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.242 0.780 2.419 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.419 2.962 2.611 1.00 0.00 O ATOM 0 H GLU A 42 -6.299 0.115 2.429 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.925 2.753 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.260 0.406 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.685 1.579 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.127 3.153 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.257 1.632 0.843 1.00 0.00 H new ATOM 634 N ASP A 43 -6.218 2.268 4.962 1.00 0.00 N ATOM 635 CA ASP A 43 -5.878 2.956 6.199 1.00 0.00 C ATOM 636 C ASP A 43 -4.769 3.973 5.947 1.00 0.00 C ATOM 637 O ASP A 43 -4.851 5.119 6.386 1.00 0.00 O ATOM 638 CB ASP A 43 -5.437 1.953 7.268 1.00 0.00 C ATOM 639 CG ASP A 43 -5.963 2.308 8.646 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.197 2.263 8.840 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.143 2.632 9.530 1.00 0.00 O ATOM 0 H ASP A 43 -6.112 1.254 4.999 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.764 3.479 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.786 0.957 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.348 1.912 7.297 1.00 0.00 H new ATOM 646 N TRP A 44 -3.738 3.538 5.228 1.00 0.00 N ATOM 647 CA TRP A 44 -2.602 4.397 4.899 1.00 0.00 C ATOM 648 C TRP A 44 -3.050 5.606 4.081 1.00 0.00 C ATOM 649 O TRP A 44 -2.560 6.720 4.273 1.00 0.00 O ATOM 650 CB TRP A 44 -1.573 3.615 4.076 1.00 0.00 C ATOM 651 CG TRP A 44 -0.757 2.631 4.861 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.456 2.679 6.191 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.125 1.453 4.346 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.326 1.601 6.536 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.543 0.834 5.420 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.059 0.860 3.079 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.267 -0.348 5.263 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.658 -0.311 2.927 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.314 -0.904 4.013 1.00 0.00 C ATOM 0 H TRP A 44 -3.665 2.590 4.860 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.161 4.736 5.836 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.094 3.081 3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.899 4.324 3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.784 3.450 6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.686 1.404 7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.560 1.311 2.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.773 -0.808 6.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.714 -0.777 1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.868 -1.818 3.861 1.00 0.00 H new ATOM 670 N MET A 45 -3.963 5.365 3.147 1.00 0.00 N ATOM 671 CA MET A 45 -4.461 6.414 2.262 1.00 0.00 C ATOM 672 C MET A 45 -5.215 7.505 3.020 1.00 0.00 C ATOM 673 O MET A 45 -4.925 8.691 2.857 1.00 0.00 O ATOM 674 CB MET A 45 -5.362 5.793 1.188 1.00 0.00 C ATOM 675 CG MET A 45 -6.023 6.804 0.263 1.00 0.00 C ATOM 676 SD MET A 45 -7.429 6.109 -0.627 1.00 0.00 S ATOM 677 CE MET A 45 -6.645 4.747 -1.488 1.00 0.00 C ATOM 0 H MET A 45 -4.376 4.447 2.982 1.00 0.00 H new ATOM 0 HA MET A 45 -3.599 6.890 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.769 5.103 0.588 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.138 5.204 1.677 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.355 7.663 0.846 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.288 7.170 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.346 4.317 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.763 5.110 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.348 3.984 -0.768 1.00 0.00 H new ATOM 687 N ASN A 46 -6.173 7.113 3.851 1.00 0.00 N ATOM 688 CA ASN A 46 -6.941 8.083 4.623 1.00 0.00 C ATOM 689 C ASN A 46 -6.066 8.709 5.698 1.00 0.00 C ATOM 690 O ASN A 46 -6.267 9.858 6.089 1.00 0.00 O ATOM 691 CB ASN A 46 -8.158 7.412 5.264 1.00 0.00 C ATOM 692 CG ASN A 46 -9.030 8.397 6.016 1.00 0.00 C ATOM 693 OD1 ASN A 46 -8.942 9.607 5.809 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.878 7.883 6.899 1.00 0.00 N ATOM 0 H ASN A 46 -6.435 6.140 4.007 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.288 8.866 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.750 6.924 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.822 6.632 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.489 8.498 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.918 6.874 7.039 1.00 0.00 H new ATOM 701 N PHE A 47 -5.084 7.945 6.165 1.00 0.00 N ATOM 702 CA PHE A 47 -4.167 8.423 7.186 1.00 0.00 C ATOM 703 C PHE A 47 -3.355 9.599 6.653 1.00 0.00 C ATOM 704 O PHE A 47 -3.155 10.587 7.357 1.00 0.00 O ATOM 705 CB PHE A 47 -3.249 7.281 7.652 1.00 0.00 C ATOM 706 CG PHE A 47 -1.795 7.651 7.780 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.387 8.619 8.684 1.00 0.00 C ATOM 708 CD2 PHE A 47 -0.840 7.026 6.996 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.051 8.955 8.801 1.00 0.00 C ATOM 710 CE2 PHE A 47 0.495 7.357 7.109 1.00 0.00 C ATOM 711 CZ PHE A 47 0.890 8.323 8.011 1.00 0.00 C ATOM 0 H PHE A 47 -4.905 6.991 5.850 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.740 8.768 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.604 6.920 8.617 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.338 6.453 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.120 9.116 9.303 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.144 6.270 6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.257 9.710 9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.229 6.860 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.934 8.585 8.100 1.00 0.00 H new ATOM 721 N TYR A 48 -2.895 9.495 5.408 1.00 0.00 N ATOM 722 CA TYR A 48 -2.114 10.571 4.811 1.00 0.00 C ATOM 723 C TYR A 48 -3.009 11.756 4.472 1.00 0.00 C ATOM 724 O TYR A 48 -2.640 12.910 4.690 1.00 0.00 O ATOM 725 CB TYR A 48 -1.399 10.080 3.551 1.00 0.00 C ATOM 726 CG TYR A 48 -0.166 9.253 3.836 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.874 9.764 4.601 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.043 7.962 3.337 1.00 0.00 C ATOM 729 CE1 TYR A 48 2.002 9.011 4.864 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.083 7.203 3.596 1.00 0.00 C ATOM 731 CZ TYR A 48 2.103 7.732 4.359 1.00 0.00 C ATOM 732 OH TYR A 48 3.224 6.980 4.619 1.00 0.00 O ATOM 0 H TYR A 48 -3.047 8.689 4.802 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.366 10.892 5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.094 9.487 2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.116 10.941 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.800 10.766 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.839 7.545 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.801 9.422 5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.164 6.200 3.203 1.00 0.00 H new ATOM 0 HH TYR A 48 3.450 7.048 5.570 1.00 0.00 H new ATOM 742 N ILE A 49 -4.185 11.460 3.937 1.00 0.00 N ATOM 743 CA ILE A 49 -5.139 12.492 3.558 1.00 0.00 C ATOM 744 C ILE A 49 -5.473 13.410 4.740 1.00 0.00 C ATOM 745 O ILE A 49 -5.317 14.633 4.655 1.00 0.00 O ATOM 746 CB ILE A 49 -6.430 11.839 3.007 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.163 11.229 1.629 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.579 12.835 2.939 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.894 12.254 0.547 1.00 0.00 C ATOM 0 H ILE A 49 -4.502 10.508 3.755 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.683 13.105 2.781 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.726 11.047 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.308 10.556 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.022 10.624 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.467 12.339 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.788 13.218 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.306 13.661 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.714 11.745 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.757 12.912 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.017 12.844 0.814 1.00 0.00 H new ATOM 761 N ASN A 50 -5.923 12.820 5.841 1.00 0.00 N ATOM 762 CA ASN A 50 -6.272 13.593 7.030 1.00 0.00 C ATOM 763 C ASN A 50 -5.027 14.181 7.683 1.00 0.00 C ATOM 764 O ASN A 50 -5.043 15.309 8.176 1.00 0.00 O ATOM 765 CB ASN A 50 -7.020 12.714 8.033 1.00 0.00 C ATOM 766 CG ASN A 50 -7.729 13.531 9.096 1.00 0.00 C ATOM 767 OD1 ASN A 50 -8.261 14.606 8.818 1.00 0.00 O ATOM 768 ND2 ASN A 50 -7.739 13.022 10.322 1.00 0.00 N ATOM 0 H ASN A 50 -6.055 11.813 5.937 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.920 14.414 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.749 12.101 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.317 12.032 8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.201 13.525 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.285 12.127 10.507 1.00 0.00 H new ATOM 775 N TYR A 51 -3.952 13.405 7.686 1.00 0.00 N ATOM 776 CA TYR A 51 -2.693 13.831 8.280 1.00 0.00 C ATOM 777 C TYR A 51 -2.163 15.096 7.605 1.00 0.00 C ATOM 778 O TYR A 51 -1.739 16.038 8.275 1.00 0.00 O ATOM 779 CB TYR A 51 -1.682 12.681 8.173 1.00 0.00 C ATOM 780 CG TYR A 51 -0.252 13.034 8.522 1.00 0.00 C ATOM 781 CD1 TYR A 51 0.052 14.103 9.353 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.799 12.277 8.016 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.362 14.408 9.666 1.00 0.00 C ATOM 784 CE2 TYR A 51 2.110 12.575 8.326 1.00 0.00 C ATOM 785 CZ TYR A 51 2.387 13.643 9.151 1.00 0.00 C ATOM 786 OH TYR A 51 3.691 13.946 9.463 1.00 0.00 O ATOM 0 H TYR A 51 -3.928 12.470 7.280 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.854 14.076 9.330 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.008 11.872 8.827 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.704 12.295 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.747 14.705 9.761 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.585 11.440 7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.583 15.244 10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.913 11.975 7.925 1.00 0.00 H new ATOM 0 HH TYR A 51 4.290 13.309 9.020 1.00 0.00 H new ATOM 796 N TYR A 52 -2.182 15.107 6.279 1.00 0.00 N ATOM 797 CA TYR A 52 -1.695 16.254 5.514 1.00 0.00 C ATOM 798 C TYR A 52 -2.675 17.420 5.525 1.00 0.00 C ATOM 799 O TYR A 52 -2.265 18.574 5.425 1.00 0.00 O ATOM 800 CB TYR A 52 -1.388 15.842 4.079 1.00 0.00 C ATOM 801 CG TYR A 52 -0.318 14.788 3.994 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.780 14.826 4.841 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.410 13.750 3.081 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.758 13.860 4.784 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.564 12.779 3.013 1.00 0.00 C ATOM 806 CZ TYR A 52 1.648 12.836 3.868 1.00 0.00 C ATOM 807 OH TYR A 52 2.619 11.867 3.813 1.00 0.00 O ATOM 0 H TYR A 52 -2.529 14.336 5.708 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.780 16.595 5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.298 15.469 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.074 16.719 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.869 15.629 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.257 13.702 2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.606 13.904 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.481 11.977 2.295 1.00 0.00 H new ATOM 0 HH TYR A 52 2.327 11.082 4.321 1.00 0.00 H new ATOM 817 N ARG A 53 -3.964 17.129 5.648 1.00 0.00 N ATOM 818 CA ARG A 53 -4.967 18.185 5.670 1.00 0.00 C ATOM 819 C ARG A 53 -4.802 19.063 6.910 1.00 0.00 C ATOM 820 O ARG A 53 -5.161 20.240 6.901 1.00 0.00 O ATOM 821 CB ARG A 53 -6.374 17.578 5.637 1.00 0.00 C ATOM 822 CG ARG A 53 -7.493 18.605 5.746 1.00 0.00 C ATOM 823 CD ARG A 53 -8.761 17.990 6.315 1.00 0.00 C ATOM 824 NE ARG A 53 -9.207 16.833 5.540 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.455 16.371 5.548 1.00 0.00 C ATOM 826 NH1 ARG A 53 -11.387 16.961 6.287 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.774 15.314 4.812 1.00 0.00 N ATOM 0 H ARG A 53 -4.336 16.183 5.733 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.829 18.808 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.496 17.019 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.470 16.863 6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.171 19.430 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.701 19.024 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.585 17.688 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.551 18.741 6.332 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.521 16.351 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.149 17.775 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.341 16.601 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.063 14.857 4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.730 14.959 4.817 1.00 0.00 H new ATOM 841 N GLN A 54 -4.280 18.474 7.980 1.00 0.00 N ATOM 842 CA GLN A 54 -4.090 19.180 9.241 1.00 0.00 C ATOM 843 C GLN A 54 -2.706 19.821 9.338 1.00 0.00 C ATOM 844 O GLN A 54 -2.499 20.747 10.123 1.00 0.00 O ATOM 845 CB GLN A 54 -4.284 18.195 10.395 1.00 0.00 C ATOM 846 CG GLN A 54 -4.438 18.852 11.755 1.00 0.00 C ATOM 847 CD GLN A 54 -4.886 17.876 12.831 1.00 0.00 C ATOM 848 OE1 GLN A 54 -4.493 16.610 12.699 1.00 0.00 O flip ATOM 849 NE2 GLN A 54 -5.581 18.256 13.774 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.978 17.500 7.998 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.825 19.983 9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.167 17.588 10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.431 17.517 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.488 19.298 12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.162 19.663 11.682 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.861 19.235 13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.876 17.592 14.490 1.00 0.00 H new ATOM 858 N GLN A 55 -1.754 19.316 8.558 1.00 0.00 N ATOM 859 CA GLN A 55 -0.390 19.838 8.589 1.00 0.00 C ATOM 860 C GLN A 55 -0.159 20.904 7.522 1.00 0.00 C ATOM 861 O GLN A 55 0.851 20.873 6.818 1.00 0.00 O ATOM 862 CB GLN A 55 0.610 18.698 8.389 1.00 0.00 C ATOM 863 CG GLN A 55 0.787 17.818 9.614 1.00 0.00 C ATOM 864 CD GLN A 55 2.213 17.816 10.132 1.00 0.00 C ATOM 865 OE1 GLN A 55 3.095 18.460 9.564 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.445 17.090 11.217 1.00 0.00 N ATOM 0 H GLN A 55 -1.900 18.550 7.900 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.243 20.301 9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.281 18.080 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.577 19.119 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.119 18.162 10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.492 16.798 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.684 16.571 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.384 17.050 11.613 1.00 0.00 H new ATOM 875 N VAL A 56 -1.085 21.848 7.395 1.00 0.00 N ATOM 876 CA VAL A 56 -0.941 22.907 6.398 1.00 0.00 C ATOM 877 C VAL A 56 -1.205 24.292 6.991 1.00 0.00 C ATOM 878 O VAL A 56 -1.447 24.438 8.190 1.00 0.00 O ATOM 879 CB VAL A 56 -1.888 22.688 5.194 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.195 23.055 3.892 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.378 21.250 5.141 1.00 0.00 C ATOM 0 H VAL A 56 -1.932 21.904 7.960 1.00 0.00 H new ATOM 0 HA VAL A 56 0.093 22.861 6.056 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.752 23.340 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.878 22.894 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.899 24.104 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.311 22.431 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.042 21.123 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.525 20.578 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.919 21.016 6.058 1.00 0.00 H new ATOM 891 N THR A 57 -1.171 25.298 6.125 1.00 0.00 N ATOM 892 CA THR A 57 -1.420 26.682 6.519 1.00 0.00 C ATOM 893 C THR A 57 -2.478 27.285 5.606 1.00 0.00 C ATOM 894 O THR A 57 -2.765 26.717 4.562 1.00 0.00 O ATOM 895 CB THR A 57 -0.133 27.504 6.453 1.00 0.00 C ATOM 896 OG1 THR A 57 0.667 27.103 5.354 1.00 0.00 O ATOM 897 CG2 THR A 57 0.711 27.391 7.703 1.00 0.00 C ATOM 0 H THR A 57 -0.971 25.179 5.132 1.00 0.00 H new ATOM 0 HA THR A 57 -1.778 26.698 7.548 1.00 0.00 H new ATOM 0 HB THR A 57 -0.457 28.539 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.484 27.643 5.330 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.610 27.998 7.591 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.139 27.744 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.993 26.350 7.858 1.00 0.00 H new ATOM 905 N GLY A 58 -3.069 28.413 6.018 1.00 0.00 N ATOM 906 CA GLY A 58 -4.125 29.081 5.238 1.00 0.00 C ATOM 907 C GLY A 58 -3.988 28.951 3.721 1.00 0.00 C ATOM 908 O GLY A 58 -4.114 29.935 2.993 1.00 0.00 O ATOM 0 H GLY A 58 -2.834 28.886 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.090 28.672 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.133 30.140 5.498 1.00 0.00 H new ATOM 912 N GLU A 59 -3.805 27.724 3.256 1.00 0.00 N ATOM 913 CA GLU A 59 -3.739 27.416 1.859 1.00 0.00 C ATOM 914 C GLU A 59 -4.983 26.632 1.477 1.00 0.00 C ATOM 915 O GLU A 59 -4.886 25.461 1.127 1.00 0.00 O ATOM 916 CB GLU A 59 -2.469 26.627 1.561 1.00 0.00 C ATOM 917 CG GLU A 59 -1.371 27.466 0.922 1.00 0.00 C ATOM 918 CD GLU A 59 -1.860 28.270 -0.268 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.948 27.953 -0.793 1.00 0.00 O ATOM 920 OE2 GLU A 59 -1.156 29.220 -0.673 1.00 0.00 O ATOM 0 H GLU A 59 -3.698 26.909 3.860 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.703 28.331 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.093 26.195 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.713 25.797 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.959 28.145 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.560 26.812 0.603 1.00 0.00 H new ATOM 927 N PRO A 60 -6.176 27.230 1.555 1.00 0.00 N ATOM 928 CA PRO A 60 -7.401 26.514 1.227 1.00 0.00 C ATOM 929 C PRO A 60 -7.294 25.848 -0.126 1.00 0.00 C ATOM 930 O PRO A 60 -7.671 24.686 -0.301 1.00 0.00 O ATOM 931 CB PRO A 60 -8.489 27.600 1.230 1.00 0.00 C ATOM 932 CG PRO A 60 -7.765 28.906 1.346 1.00 0.00 C ATOM 933 CD PRO A 60 -6.434 28.608 1.978 1.00 0.00 C ATOM 0 HA PRO A 60 -7.617 25.713 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.082 27.562 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.178 27.460 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.634 29.364 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.333 29.611 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.659 29.290 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.472 28.698 3.064 1.00 0.00 H new ATOM 941 N GLN A 61 -6.748 26.587 -1.072 1.00 0.00 N ATOM 942 CA GLN A 61 -6.560 26.076 -2.408 1.00 0.00 C ATOM 943 C GLN A 61 -5.460 25.026 -2.430 1.00 0.00 C ATOM 944 O GLN A 61 -5.552 24.045 -3.170 1.00 0.00 O ATOM 945 CB GLN A 61 -6.220 27.214 -3.372 1.00 0.00 C ATOM 946 CG GLN A 61 -7.421 27.731 -4.146 1.00 0.00 C ATOM 947 CD GLN A 61 -7.107 28.984 -4.941 1.00 0.00 C ATOM 948 OE1 GLN A 61 -7.292 30.102 -4.459 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.629 28.803 -6.166 1.00 0.00 N ATOM 0 H GLN A 61 -6.427 27.546 -0.936 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.491 25.610 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.779 28.037 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.464 26.869 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.774 26.954 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.234 27.940 -3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.491 27.858 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.399 29.609 -6.748 1.00 0.00 H new ATOM 958 N GLU A 62 -4.415 25.220 -1.622 1.00 0.00 N ATOM 959 CA GLU A 62 -3.327 24.254 -1.603 1.00 0.00 C ATOM 960 C GLU A 62 -3.666 23.032 -0.768 1.00 0.00 C ATOM 961 O GLU A 62 -3.252 21.926 -1.111 1.00 0.00 O ATOM 962 CB GLU A 62 -2.015 24.893 -1.155 1.00 0.00 C ATOM 963 CG GLU A 62 -1.241 24.092 -0.113 1.00 0.00 C ATOM 964 CD GLU A 62 0.195 24.551 0.032 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.944 24.486 -0.965 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.573 24.975 1.145 1.00 0.00 O ATOM 0 H GLU A 62 -4.304 26.014 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.189 23.911 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.379 25.037 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.228 25.882 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.744 24.176 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.255 23.037 -0.388 1.00 0.00 H new ATOM 973 N ARG A 63 -4.412 23.205 0.325 1.00 0.00 N ATOM 974 CA ARG A 63 -4.753 22.053 1.135 1.00 0.00 C ATOM 975 C ARG A 63 -5.650 21.153 0.316 1.00 0.00 C ATOM 976 O ARG A 63 -5.396 19.959 0.172 1.00 0.00 O ATOM 977 CB ARG A 63 -5.472 22.483 2.413 1.00 0.00 C ATOM 978 CG ARG A 63 -4.532 22.957 3.505 1.00 0.00 C ATOM 979 CD ARG A 63 -4.623 24.458 3.706 1.00 0.00 C ATOM 980 NE ARG A 63 -4.515 24.829 5.115 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.535 24.809 5.969 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.747 24.446 5.563 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.344 25.152 7.235 1.00 0.00 N ATOM 0 H ARG A 63 -4.776 24.099 0.654 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.844 21.525 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.173 23.283 2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.060 21.646 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.772 22.449 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.508 22.685 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.831 24.948 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.571 24.820 3.307 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.603 25.121 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.901 24.180 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.524 24.433 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.416 25.431 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.125 25.137 7.891 1.00 0.00 H new ATOM 997 N ASP A 64 -6.710 21.743 -0.217 1.00 0.00 N ATOM 998 CA ASP A 64 -7.650 20.988 -1.015 1.00 0.00 C ATOM 999 C ASP A 64 -6.956 20.338 -2.206 1.00 0.00 C ATOM 1000 O ASP A 64 -7.231 19.179 -2.517 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.800 21.878 -1.488 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.993 21.826 -0.553 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.729 20.817 -0.584 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.190 22.794 0.211 1.00 0.00 O ATOM 0 H ASP A 64 -6.935 22.732 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.062 20.198 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.450 22.907 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.110 21.567 -2.486 1.00 0.00 H new ATOM 1009 N LYS A 65 -6.043 21.055 -2.875 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.347 20.467 -4.012 1.00 0.00 C ATOM 1011 C LYS A 65 -4.418 19.362 -3.540 1.00 0.00 C ATOM 1012 O LYS A 65 -4.380 18.278 -4.118 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.565 21.535 -4.777 1.00 0.00 C ATOM 1014 CG LYS A 65 -5.226 21.935 -6.084 1.00 0.00 C ATOM 1015 CD LYS A 65 -5.115 23.431 -6.333 1.00 0.00 C ATOM 1016 CE LYS A 65 -3.838 23.780 -7.079 1.00 0.00 C ATOM 1017 NZ LYS A 65 -4.112 24.575 -8.308 1.00 0.00 N ATOM 0 H LYS A 65 -5.779 22.015 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.086 20.038 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.456 22.418 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.561 21.164 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.762 21.393 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.277 21.646 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.977 23.770 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.138 23.962 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.176 24.344 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.313 22.864 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.215 24.793 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.723 24.027 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.590 25.462 -8.049 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.672 19.649 -2.484 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.741 18.680 -1.925 1.00 0.00 C ATOM 1033 C ALA A 66 -3.480 17.400 -1.547 1.00 0.00 C ATOM 1034 O ALA A 66 -2.978 16.296 -1.760 1.00 0.00 O ATOM 1035 CB ALA A 66 -2.026 19.265 -0.714 1.00 0.00 C ATOM 0 H ALA A 66 -3.693 20.545 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.992 18.439 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.334 18.527 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.473 20.155 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.759 19.532 0.047 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.682 17.554 -0.995 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.492 16.409 -0.601 1.00 0.00 C ATOM 1043 C LEU A 67 -6.003 15.655 -1.822 1.00 0.00 C ATOM 1044 O LEU A 67 -6.102 14.429 -1.802 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.672 16.853 0.261 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.444 16.732 1.763 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.272 17.602 2.182 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.704 17.113 2.526 1.00 0.00 C ATOM 0 H LEU A 67 -5.114 18.460 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.858 15.741 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.906 17.891 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.545 16.260 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.207 15.695 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.116 17.509 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.373 17.280 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.484 18.642 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.523 17.021 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.974 18.142 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.519 16.449 2.237 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.314 16.387 -2.891 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.798 15.761 -4.116 1.00 0.00 C ATOM 1062 C GLN A 68 -5.667 15.000 -4.784 1.00 0.00 C ATOM 1063 O GLN A 68 -5.826 13.849 -5.191 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.356 16.811 -5.080 1.00 0.00 C ATOM 1065 CG GLN A 68 -8.404 17.723 -4.461 1.00 0.00 C ATOM 1066 CD GLN A 68 -9.787 17.509 -5.049 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -9.951 16.789 -6.034 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -10.790 18.138 -4.449 1.00 0.00 N ATOM 0 H GLN A 68 -6.240 17.403 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.600 15.070 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.533 17.421 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.793 16.304 -5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.440 17.551 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.108 18.762 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.610 18.725 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.741 18.034 -4.802 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.518 15.651 -4.890 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.355 15.037 -5.497 1.00 0.00 C ATOM 1079 C GLU A 69 -2.871 13.874 -4.645 1.00 0.00 C ATOM 1080 O GLU A 69 -2.273 12.930 -5.159 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.238 16.068 -5.677 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.830 16.277 -7.125 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.568 17.734 -7.454 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -2.546 18.476 -7.684 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.385 18.133 -7.481 1.00 0.00 O ATOM 0 H GLU A 69 -4.370 16.605 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.635 14.658 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.564 17.021 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.366 15.750 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.932 15.695 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.615 15.897 -7.778 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.139 13.936 -3.339 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.727 12.865 -2.446 1.00 0.00 C ATOM 1094 C LEU A 70 -3.611 11.645 -2.661 1.00 0.00 C ATOM 1095 O LEU A 70 -3.116 10.533 -2.841 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.805 13.329 -0.987 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.458 13.590 -0.304 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.858 12.290 0.205 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.494 14.288 -1.254 1.00 0.00 C ATOM 0 H LEU A 70 -3.632 14.706 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.694 12.597 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.396 14.244 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.344 12.575 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.631 14.248 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.098 12.495 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.537 11.833 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.704 11.608 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.455 14.462 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.327 13.660 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.919 15.242 -1.567 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.922 11.859 -2.644 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.868 10.767 -2.840 1.00 0.00 C ATOM 1113 C ARG A 71 -5.612 10.079 -4.175 1.00 0.00 C ATOM 1114 O ARG A 71 -5.635 8.849 -4.264 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.311 11.276 -2.769 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.588 12.468 -3.665 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.998 12.998 -3.467 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.007 11.965 -3.689 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.246 12.020 -3.205 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.634 13.054 -2.468 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -12.100 11.038 -3.459 1.00 0.00 N ATOM 0 H ARG A 71 -5.352 12.772 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.724 10.042 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.986 10.465 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.540 11.548 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.868 13.259 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.449 12.181 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.099 13.392 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.173 13.828 -4.151 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.747 11.153 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.981 13.812 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.585 13.090 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.807 10.241 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.049 11.079 -3.089 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.342 10.873 -5.209 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.055 10.321 -6.525 1.00 0.00 C ATOM 1137 C GLN A 72 -3.646 9.737 -6.538 1.00 0.00 C ATOM 1138 O GLN A 72 -3.371 8.760 -7.234 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.232 11.396 -7.615 1.00 0.00 C ATOM 1140 CG GLN A 72 -3.933 11.940 -8.204 1.00 0.00 C ATOM 1141 CD GLN A 72 -3.489 11.178 -9.440 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -3.098 10.014 -9.360 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -3.550 11.835 -10.593 1.00 0.00 N ATOM 0 H GLN A 72 -5.317 11.891 -5.159 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.761 9.520 -6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.832 10.977 -8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.799 12.227 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.066 12.992 -8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.148 11.891 -7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.881 12.800 -10.613 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.266 11.375 -11.458 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.763 10.341 -5.745 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.386 9.881 -5.645 1.00 0.00 C ATOM 1154 C GLU A 73 -1.344 8.459 -5.114 1.00 0.00 C ATOM 1155 O GLU A 73 -0.669 7.594 -5.675 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.576 10.795 -4.723 1.00 0.00 C ATOM 1157 CG GLU A 73 0.291 11.796 -5.466 1.00 0.00 C ATOM 1158 CD GLU A 73 1.690 11.274 -5.727 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.400 10.961 -4.747 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.076 11.177 -6.910 1.00 0.00 O ATOM 0 H GLU A 73 -2.980 11.150 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.947 9.907 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.260 11.335 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.059 10.181 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.182 12.047 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.353 12.718 -4.887 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.101 8.205 -4.049 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.181 6.879 -3.473 1.00 0.00 C ATOM 1169 C LEU A 74 -2.889 5.935 -4.428 1.00 0.00 C ATOM 1170 O LEU A 74 -2.489 4.799 -4.599 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.908 6.930 -2.130 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.317 7.917 -1.118 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.410 8.772 -0.496 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.536 7.175 -0.044 1.00 0.00 C ATOM 0 H LEU A 74 -2.666 8.907 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.171 6.506 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.951 7.193 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.901 5.933 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.630 8.579 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.967 9.465 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.921 9.334 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.126 8.130 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.123 7.891 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.200 6.487 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.724 6.614 -0.507 1.00 0.00 H new ATOM 1186 N ASN A 75 -3.970 6.414 -5.029 1.00 0.00 N ATOM 1187 CA ASN A 75 -4.751 5.596 -5.955 1.00 0.00 C ATOM 1188 C ASN A 75 -3.862 4.987 -7.038 1.00 0.00 C ATOM 1189 O ASN A 75 -4.011 3.819 -7.394 1.00 0.00 O ATOM 1190 CB ASN A 75 -5.857 6.434 -6.602 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.186 6.294 -5.884 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.752 5.203 -5.812 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.690 7.399 -5.351 1.00 0.00 N ATOM 0 H ASN A 75 -4.327 7.360 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.202 4.784 -5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.559 7.482 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.976 6.132 -7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.582 7.366 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.186 8.282 -5.435 1.00 0.00 H new ATOM 1200 N THR A 76 -2.940 5.788 -7.555 1.00 0.00 N ATOM 1201 CA THR A 76 -2.025 5.333 -8.599 1.00 0.00 C ATOM 1202 C THR A 76 -0.850 4.541 -8.020 1.00 0.00 C ATOM 1203 O THR A 76 -0.293 3.669 -8.686 1.00 0.00 O ATOM 1204 CB THR A 76 -1.500 6.526 -9.398 1.00 0.00 C ATOM 1205 OG1 THR A 76 -0.685 6.092 -10.471 1.00 0.00 O ATOM 1206 CG2 THR A 76 -0.688 7.493 -8.565 1.00 0.00 C ATOM 0 H THR A 76 -2.804 6.758 -7.270 1.00 0.00 H new ATOM 0 HA THR A 76 -2.585 4.669 -9.258 1.00 0.00 H new ATOM 0 HB THR A 76 -2.388 7.043 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.360 6.870 -10.971 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.346 8.316 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.306 7.885 -7.757 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.174 6.976 -8.144 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.463 4.864 -6.789 1.00 0.00 N ATOM 1215 CA LEU A 77 0.665 4.197 -6.137 1.00 0.00 C ATOM 1216 C LEU A 77 0.283 2.828 -5.566 1.00 0.00 C ATOM 1217 O LEU A 77 1.070 1.884 -5.614 1.00 0.00 O ATOM 1218 CB LEU A 77 1.225 5.095 -5.031 1.00 0.00 C ATOM 1219 CG LEU A 77 2.504 5.849 -5.399 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.984 6.698 -4.233 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.591 4.876 -5.836 1.00 0.00 C ATOM 0 H LEU A 77 -0.912 5.583 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 77 1.428 4.024 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.461 5.820 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.422 4.483 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 77 2.280 6.513 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.895 7.225 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.213 7.422 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.189 6.057 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.493 5.430 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.810 4.185 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.249 4.315 -6.706 1.00 0.00 H new ATOM 1233 N ALA A 78 -0.922 2.731 -5.021 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.419 1.489 -4.436 1.00 0.00 C ATOM 1235 C ALA A 78 -1.831 0.486 -5.511 1.00 0.00 C ATOM 1236 O ALA A 78 -1.768 -0.725 -5.298 1.00 0.00 O ATOM 1237 CB ALA A 78 -2.589 1.777 -3.508 1.00 0.00 C ATOM 0 H ALA A 78 -1.582 3.507 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.607 1.044 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.951 0.843 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.264 2.443 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.392 2.252 -4.072 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.273 0.998 -6.656 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.718 0.144 -7.754 1.00 0.00 C ATOM 1245 C ASN A 79 -1.667 -0.920 -8.078 1.00 0.00 C ATOM 1246 O ASN A 79 -1.984 -2.106 -8.157 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.037 1.002 -8.995 1.00 0.00 C ATOM 1248 CG ASN A 79 -2.302 0.563 -10.255 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -1.516 1.322 -10.824 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -2.562 -0.661 -10.703 1.00 0.00 N ATOM 0 H ASN A 79 -2.333 1.998 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.627 -0.373 -7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.110 0.968 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.783 2.040 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.104 -1.003 -11.548 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.220 -1.258 -10.202 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.399 -0.517 -8.262 1.00 0.00 N ATOM 1258 CA PRO A 80 0.677 -1.457 -8.566 1.00 0.00 C ATOM 1259 C PRO A 80 1.016 -2.356 -7.380 1.00 0.00 C ATOM 1260 O PRO A 80 1.412 -3.513 -7.562 1.00 0.00 O ATOM 1261 CB PRO A 80 1.861 -0.554 -8.916 1.00 0.00 C ATOM 1262 CG PRO A 80 1.580 0.732 -8.221 1.00 0.00 C ATOM 1263 CD PRO A 80 0.083 0.874 -8.190 1.00 0.00 C ATOM 0 HA PRO A 80 0.402 -2.141 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.802 -0.988 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.944 -0.411 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.991 0.727 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.039 1.568 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.254 1.368 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.281 1.468 -9.028 1.00 0.00 H new ATOM 1271 N PHE A 81 0.845 -1.842 -6.158 1.00 0.00 N ATOM 1272 CA PHE A 81 1.130 -2.629 -4.966 1.00 0.00 C ATOM 1273 C PHE A 81 0.093 -3.735 -4.818 1.00 0.00 C ATOM 1274 O PHE A 81 0.438 -4.912 -4.720 1.00 0.00 O ATOM 1275 CB PHE A 81 1.115 -1.704 -3.739 1.00 0.00 C ATOM 1276 CG PHE A 81 0.973 -2.398 -2.409 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.479 -3.672 -2.206 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.334 -1.760 -1.357 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.351 -4.295 -0.978 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.202 -2.376 -0.129 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.711 -3.646 0.062 1.00 0.00 C ATOM 0 H PHE A 81 0.514 -0.895 -5.974 1.00 0.00 H new ATOM 0 HA PHE A 81 2.114 -3.091 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.038 -1.124 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.294 -0.995 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.979 -4.184 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.066 -0.767 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.751 -5.288 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.298 -1.866 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.609 -4.131 1.022 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.181 -3.351 -4.811 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.261 -4.317 -4.685 1.00 0.00 C ATOM 1293 C LEU A 82 -2.152 -5.370 -5.777 1.00 0.00 C ATOM 1294 O LEU A 82 -2.467 -6.540 -5.561 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.620 -3.617 -4.765 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.908 -2.630 -3.633 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.122 -1.779 -3.968 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.119 -3.371 -2.320 1.00 0.00 C ATOM 0 H LEU A 82 -1.487 -2.381 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.178 -4.804 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.682 -3.085 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.402 -4.376 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.047 -1.972 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.314 -1.082 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.933 -1.221 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.991 -2.423 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.323 -2.653 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.964 -4.053 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.222 -3.939 -2.074 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.691 -4.946 -6.951 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.524 -5.855 -8.073 1.00 0.00 C ATOM 1312 C ALA A 83 -0.504 -6.929 -7.734 1.00 0.00 C ATOM 1313 O ALA A 83 -0.746 -8.118 -7.939 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.100 -5.088 -9.317 1.00 0.00 C ATOM 0 H ALA A 83 -1.428 -3.980 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.480 -6.339 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.979 -5.782 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.863 -4.351 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.154 -4.581 -9.127 1.00 0.00 H new ATOM 1320 N LYS A 84 0.639 -6.504 -7.206 1.00 0.00 N ATOM 1321 CA LYS A 84 1.690 -7.441 -6.830 1.00 0.00 C ATOM 1322 C LYS A 84 1.178 -8.456 -5.810 1.00 0.00 C ATOM 1323 O LYS A 84 1.455 -9.652 -5.918 1.00 0.00 O ATOM 1324 CB LYS A 84 2.893 -6.691 -6.252 1.00 0.00 C ATOM 1325 CG LYS A 84 3.883 -6.224 -7.306 1.00 0.00 C ATOM 1326 CD LYS A 84 4.971 -7.259 -7.547 1.00 0.00 C ATOM 1327 CE LYS A 84 4.853 -7.883 -8.929 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.759 -8.892 -8.992 1.00 0.00 N ATOM 0 H LYS A 84 0.860 -5.524 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 84 1.999 -7.975 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.537 -5.826 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.408 -7.339 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.356 -6.025 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.337 -5.285 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.950 -6.791 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.907 -8.039 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.668 -7.101 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.798 -8.356 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.044 -9.674 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.571 -9.261 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.897 -8.447 -9.367 1.00 0.00 H new ATOM 1342 N TYR A 85 0.448 -7.973 -4.808 1.00 0.00 N ATOM 1343 CA TYR A 85 -0.073 -8.843 -3.760 1.00 0.00 C ATOM 1344 C TYR A 85 -1.201 -9.745 -4.252 1.00 0.00 C ATOM 1345 O TYR A 85 -1.256 -10.919 -3.887 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.551 -8.020 -2.564 1.00 0.00 C ATOM 1347 CG TYR A 85 -0.230 -8.668 -1.239 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.082 -8.959 -0.891 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -1.236 -8.997 -0.338 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.385 -9.559 0.316 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.942 -9.598 0.870 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.371 -9.876 1.192 1.00 0.00 C ATOM 1353 OH TYR A 85 0.669 -10.476 2.393 1.00 0.00 O ATOM 0 H TYR A 85 0.205 -6.988 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 85 0.751 -9.488 -3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.090 -7.033 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.628 -7.872 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.880 -8.712 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.264 -8.779 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.411 -9.778 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.735 -9.849 1.559 1.00 0.00 H new ATOM 0 HH TYR A 85 0.115 -11.276 2.505 1.00 0.00 H new ATOM 1363 N ARG A 86 -2.101 -9.210 -5.069 1.00 0.00 N ATOM 1364 CA ARG A 86 -3.211 -10.015 -5.573 1.00 0.00 C ATOM 1365 C ARG A 86 -2.683 -11.166 -6.421 1.00 0.00 C ATOM 1366 O ARG A 86 -3.212 -12.277 -6.377 1.00 0.00 O ATOM 1367 CB ARG A 86 -4.203 -9.164 -6.371 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.611 -8.513 -7.608 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.617 -8.468 -8.748 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.446 -7.265 -8.702 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.102 -6.775 -9.752 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.034 -7.383 -10.930 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -6.830 -5.676 -9.624 1.00 0.00 N ATOM 0 H ARG A 86 -2.088 -8.243 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.747 -10.426 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.043 -9.791 -6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.602 -8.386 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.286 -7.501 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.726 -9.066 -7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.088 -8.507 -9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.256 -9.350 -8.702 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.527 -6.772 -7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.477 -8.231 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.539 -7.002 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.888 -5.205 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.333 -5.301 -10.428 1.00 0.00 H new ATOM 1387 N ASP A 87 -1.619 -10.899 -7.172 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.998 -11.917 -8.006 1.00 0.00 C ATOM 1389 C ASP A 87 -0.242 -12.913 -7.134 1.00 0.00 C ATOM 1390 O ASP A 87 -0.222 -14.116 -7.408 1.00 0.00 O ATOM 1391 CB ASP A 87 -0.045 -11.272 -9.015 1.00 0.00 C ATOM 1392 CG ASP A 87 -0.068 -11.970 -10.360 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -1.009 -11.722 -11.144 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.858 -12.764 -10.632 1.00 0.00 O ATOM 0 H ASP A 87 -1.170 -9.984 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.779 -12.445 -8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.316 -10.224 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.969 -11.291 -8.616 1.00 0.00 H new ATOM 1399 N PHE A 88 0.365 -12.399 -6.068 1.00 0.00 N ATOM 1400 CA PHE A 88 1.116 -13.227 -5.134 1.00 0.00 C ATOM 1401 C PHE A 88 0.176 -14.110 -4.321 1.00 0.00 C ATOM 1402 O PHE A 88 0.515 -15.241 -3.977 1.00 0.00 O ATOM 1403 CB PHE A 88 1.944 -12.339 -4.201 1.00 0.00 C ATOM 1404 CG PHE A 88 2.754 -13.104 -3.193 1.00 0.00 C ATOM 1405 CD1 PHE A 88 3.492 -14.213 -3.572 1.00 0.00 C ATOM 1406 CD2 PHE A 88 2.778 -12.709 -1.865 1.00 0.00 C ATOM 1407 CE1 PHE A 88 4.238 -14.915 -2.645 1.00 0.00 C ATOM 1408 CE2 PHE A 88 3.522 -13.406 -0.934 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.253 -14.511 -1.323 1.00 0.00 C ATOM 0 H PHE A 88 0.350 -11.407 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 88 1.786 -13.872 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.615 -11.725 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.275 -11.659 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.484 -14.533 -4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.208 -11.846 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.809 -15.779 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.532 -13.087 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.835 -15.058 -0.596 1.00 0.00 H new ATOM 1419 N LEU A 89 -1.019 -13.594 -4.045 1.00 0.00 N ATOM 1420 CA LEU A 89 -2.016 -14.356 -3.302 1.00 0.00 C ATOM 1421 C LEU A 89 -2.687 -15.363 -4.230 1.00 0.00 C ATOM 1422 O LEU A 89 -2.876 -16.528 -3.883 1.00 0.00 O ATOM 1423 CB LEU A 89 -3.061 -13.418 -2.694 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.893 -13.145 -1.198 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -3.074 -14.425 -0.399 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.529 -12.527 -0.922 1.00 0.00 C ATOM 0 H LEU A 89 -1.318 -12.659 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.522 -14.891 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.028 -12.468 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.050 -13.844 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.661 -12.437 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.951 -14.212 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.072 -14.826 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.329 -15.157 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.424 -12.339 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.746 -13.212 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.438 -11.587 -1.467 1.00 0.00 H new ATOM 1438 N LYS A 90 -3.046 -14.884 -5.417 1.00 0.00 N ATOM 1439 CA LYS A 90 -3.701 -15.716 -6.419 1.00 0.00 C ATOM 1440 C LYS A 90 -2.818 -16.898 -6.805 1.00 0.00 C ATOM 1441 O LYS A 90 -3.314 -17.972 -7.140 1.00 0.00 O ATOM 1442 CB LYS A 90 -4.049 -14.890 -7.660 1.00 0.00 C ATOM 1443 CG LYS A 90 -5.476 -14.368 -7.660 1.00 0.00 C ATOM 1444 CD LYS A 90 -6.394 -15.250 -8.492 1.00 0.00 C ATOM 1445 CE LYS A 90 -6.973 -16.389 -7.667 1.00 0.00 C ATOM 1446 NZ LYS A 90 -8.209 -15.979 -6.946 1.00 0.00 N ATOM 0 H LYS A 90 -2.893 -13.919 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.624 -16.102 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.362 -14.047 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.894 -15.502 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.847 -14.320 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.492 -13.352 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.205 -14.648 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.840 -15.657 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.196 -17.233 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.229 -16.731 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.573 -16.783 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.991 -15.190 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.928 -15.677 -7.634 1.00 0.00 H new ATOM 1460 N SER A 91 -1.505 -16.692 -6.757 1.00 0.00 N ATOM 1461 CA SER A 91 -0.557 -17.746 -7.105 1.00 0.00 C ATOM 1462 C SER A 91 -0.061 -18.488 -5.864 1.00 0.00 C ATOM 1463 O SER A 91 0.481 -19.589 -5.970 1.00 0.00 O ATOM 1464 CB SER A 91 0.633 -17.155 -7.862 1.00 0.00 C ATOM 1465 OG SER A 91 1.420 -16.334 -7.016 1.00 0.00 O ATOM 0 H SER A 91 -1.075 -15.809 -6.482 1.00 0.00 H new ATOM 0 HA SER A 91 -1.077 -18.461 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.247 -17.960 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.275 -16.571 -8.710 1.00 0.00 H new ATOM 0 HG SER A 91 1.032 -15.435 -6.979 1.00 0.00 H new ATOM 1471 N HIS A 92 -0.232 -17.882 -4.691 1.00 0.00 N ATOM 1472 CA HIS A 92 0.220 -18.497 -3.445 1.00 0.00 C ATOM 1473 C HIS A 92 -0.384 -19.886 -3.255 1.00 0.00 C ATOM 1474 O HIS A 92 -1.560 -20.024 -2.921 1.00 0.00 O ATOM 1475 CB HIS A 92 -0.143 -17.613 -2.250 1.00 0.00 C ATOM 1476 CG HIS A 92 0.952 -17.500 -1.235 1.00 0.00 C ATOM 1477 ND1 HIS A 92 2.238 -17.114 -1.554 1.00 0.00 N ATOM 1478 CD2 HIS A 92 0.951 -17.727 0.101 1.00 0.00 C ATOM 1479 CE1 HIS A 92 2.978 -17.109 -0.460 1.00 0.00 C ATOM 1480 NE2 HIS A 92 2.221 -17.476 0.557 1.00 0.00 N ATOM 0 H HIS A 92 -0.677 -16.971 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 92 1.304 -18.599 -3.506 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.398 -16.616 -2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.034 -18.015 -1.768 1.00 0.00 H new ATOM 0 HD1 HIS A 92 2.566 -16.871 -2.489 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.108 -18.046 0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.025 -16.849 -0.407 1.00 0.00 H new ATOM 1489 N GLU A 93 0.434 -20.912 -3.473 1.00 0.00 N ATOM 1490 CA GLU A 93 -0.016 -22.291 -3.328 1.00 0.00 C ATOM 1491 C GLU A 93 -0.421 -22.579 -1.887 1.00 0.00 C ATOM 1492 O GLU A 93 0.367 -23.106 -1.103 1.00 0.00 O ATOM 1493 CB GLU A 93 1.081 -23.264 -3.765 1.00 0.00 C ATOM 1494 CG GLU A 93 2.446 -22.950 -3.173 1.00 0.00 C ATOM 1495 CD GLU A 93 3.384 -24.141 -3.206 1.00 0.00 C ATOM 1496 OE1 GLU A 93 4.054 -24.341 -4.242 1.00 0.00 O ATOM 1497 OE2 GLU A 93 3.450 -24.873 -2.196 1.00 0.00 O ATOM 0 H GLU A 93 1.411 -20.814 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.886 -22.430 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.794 -24.275 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.154 -23.251 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.895 -22.123 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.323 -22.617 -2.142 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.655 -22.226 -1.545 1.00 0.00 N ATOM 1505 CA LEU A 94 -2.166 -22.444 -0.197 1.00 0.00 C ATOM 1506 C LEU A 94 -2.342 -23.934 0.083 1.00 0.00 C ATOM 1507 O LEU A 94 -2.709 -24.672 -0.856 1.00 0.00 O ATOM 1508 CB LEU A 94 -3.498 -21.713 -0.008 1.00 0.00 C ATOM 1509 CG LEU A 94 -4.690 -22.334 -0.740 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.441 -23.284 0.177 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -5.619 -21.248 -1.262 1.00 0.00 C ATOM 1512 OXT LEU A 94 -2.111 -24.349 1.237 1.00 0.00 O ATOM 0 H LEU A 94 -2.320 -21.788 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.439 -22.044 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.726 -21.675 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.381 -20.683 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.315 -22.903 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.285 -23.716 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.772 -24.080 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.806 -22.738 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.461 -21.707 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.988 -20.652 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.075 -20.605 -1.954 1.00 0.00 H new TER 1524 LEU A 94